#DEFINITION	Reference Metabolome for Opuntia dillenii
#IDENTTFIER	RefMeta-Opuntia dillenii.R1
#FORMAT	msr
#VERSION	1.0/R1
#KEYWORDS	RefMeta
#ORGANISM	Opuntia dillenii
#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 Opuntia dillenii 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	993.2864
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03423	1.5
70.06580	0.3
71.04983	2.4
73.02917	0.1
77.03883	0.6
79.05482	0.2
81.03411	2.6
81.03861	0.2
81.71588	0.1
83.04967	0.6
85.02892	4.0
89.03883	0.6
91.05470	17.7
92.02632	0.1
92.05791	0.2
93.03403	0.4
95.04960	0.4
97.02884	0.5
98.20703	0.3
99.04431	0.3
103.05441	0.6
105.03373	0.6
107.04942	0.2
109.02869	0.9
111.04427	0.5
117.03301	0.1
118.04152	0.3
119.04927	27.6
120.05261	0.4
120.67220	0.1
121.02881	0.4
127.03901	0.7
129.03398	0.6
129.05453	0.6
131.04910	0.4
132.02051	1.0
133.02808	0.4
135.04341	0.6
136.05220	0.3
137.05942	0.2
139.03859	0.3
145.02811	1.0
145.04945	0.2
147.04391	25.5
148.04701	0.3
149.02324	1.0
149.06020	0.2
151.03893	0.4
153.01801	1.8
157.02802	0.2
157.03963	2.6
160.01541	0.2
162.03101	0.2
163.03886	0.2
164.04654	1.0
165.01845	0.1
167.07030	0.5
175.03885	47.1
176.04288	1.1
177.05460	0.5
179.06993	2.3
189.05579	0.1
192.04083	0.6
200.04675	0.1
201.05397	0.2
207.06502	100.0
208.06805	1.8
209.07971	0.3
217.05078	0.2
218.05621	0.1
219.06490	0.4
225.07565	0.5
228.04114	0.3
229.04977	1.0
235.06009	0.1
237.07503	0.2
245.04488	0.3
246.05261	0.6
257.04233	0.6
261.07605	0.3
273.03949	0.4
273.11115	0.2
274.04684	1.4
275.09067	0.1
284.03101	0.2
285.03940	1.6
289.10425	0.2
299.08859	0.2
302.04184	4.2
303.04742	0.2
316.05725	0.2
317.06534	36.5
318.06970	1.3
329.06534	0.4
335.11206	0.6
341.06494	0.2
351.10712	4.3
353.12292	1.0
359.07538	1.3
369.11771	7.0
370.11993	0.3
383.07428	0.4
391.03192	0.2
427.10229	0.2
445.11533	0.2
463.12329	0.7
479.11490	0.8
515.17627	0.2
595.92236	0.1
766.72589	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	983.4673
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03424	21.5
69.07059	3.9
71.01349	1.8
71.04980	3.1
71.52309	1.0
71.52692	1.6
73.02904	19.5
75.04472	1.9
79.05482	15.4
81.03407	19.1
81.07048	23.9
83.01334	1.2
83.04962	4.1
83.08595	2.9
85.02894	100.0
87.04463	2.1
88.77001	1.0
91.03944	49.7
91.05458	13.4
93.07027	20.4
95.04957	3.7
95.08595	18.7
97.02878	63.8
97.06543	1.9
97.10197	1.7
99.04437	11.9
101.02372	4.2
103.03906	8.3
104.81632	1.1
105.07016	9.9
105.45190	1.1
107.08584	11.7
109.02856	10.5
109.06483	1.9
109.10156	8.2
111.04427	3.0
115.03923	5.8
117.05457	3.4
117.07004	4.1
119.08568	8.5
121.10118	9.5
123.11688	3.8
127.03896	39.5
129.05437	3.9
129.06963	3.0
131.08522	7.5
133.10110	8.1
135.11696	6.3
135.61990	1.2
137.13211	2.4
139.11128	1.1
143.08516	2.4
145.04948	38.0
145.10115	7.0
147.11682	5.6
149.09529	1.6
149.13194	5.7
157.10115	2.0
159.11629	5.0
161.13213	4.2
163.05995	42.8
163.11143	1.2
163.14789	2.6
169.10120	2.6
171.11607	1.4
173.04454	2.1
173.13271	5.3
175.14758	1.2
177.12793	1.2
182.32507	1.2
183.06520	5.9
183.11588	1.2
185.13258	2.4
187.14777	3.3
199.14720	1.3
201.07582	5.5
219.08670	2.0
237.16020	1.1
241.19525	1.8
243.21106	4.2
246.15688	1.1
253.07066	1.8
259.20435	1.6
261.22086	12.2
271.08112	1.6
273.22098	1.5
277.21686	2.3
279.23151	1.4
285.22150	2.9
301.21426	1.3
303.23227	3.2
307.10147	1.3
313.21478	2.0
315.22971	3.0
317.24997	1.3
323.24243	1.4
325.11252	1.8
327.23242	1.8
335.25742	44.9
336.25940	1.4
341.24924	1.2
345.24191	2.3
351.23038	2.5
353.26791	2.1
363.25113	2.4
369.24081	7.0
377.26852	4.7
387.25186	4.1
389.26718	2.2
405.26193	2.9
410.84799	1.2
419.27765	3.1
425.26566	1.6
431.27924	1.3
443.27939	7.5
461.28854	7.0
479.30011	14.0
497.31085	6.8
778.15955	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	963.2756
Annotation	Unknow
Peak:m/z	Relative Intensity
67.90533	0.1
69.03423	1.0
70.06577	0.4
71.04981	2.6
73.02900	0.1
73.12924	0.1
75.04482	0.2
78.04704	0.5
81.03410	0.8
83.04956	0.5
85.02895	4.2
86.09721	0.2
87.04468	0.2
89.03905	7.7
90.04205	0.1
91.05470	0.6
92.02579	0.2
93.03419	0.3
93.07032	0.2
95.04935	0.2
97.02866	0.4
98.20712	0.3
99.04440	0.4
103.05447	0.6
104.55826	0.1
106.04153	0.4
107.04922	0.1
109.02850	0.5
111.04417	0.4
117.03365	21.7
118.03710	0.4
119.04901	0.3
121.02872	0.6
124.05227	0.4
126.03151	0.2
127.03905	0.5
129.05473	1.1
131.04915	0.2
133.02798	0.2
134.03610	1.9
135.04422	1.8
135.07996	0.1
137.02313	0.2
137.05916	0.4
139.03871	0.4
145.02827	52.0
146.03177	0.9
147.04387	0.3
147.06517	0.2
149.05966	7.6
151.03871	0.8
153.01814	2.9
158.05989	0.5
159.54681	0.1
161.05913	0.3
162.03128	0.3
163.03905	0.4
163.07498	0.3
164.33577	0.1
165.01765	0.3
167.06985	0.2
175.03810	0.2
177.05447	100.0
178.05759	1.9
186.05489	1.8
191.07059	0.2
195.06505	0.6
201.05418	0.4
206.75694	0.1
207.06491	0.2
217.04918	0.3
217.08498	0.2
218.05760	0.3
219.06572	0.2
228.04076	0.3
229.04945	1.3
245.04395	0.5
246.05255	0.8
247.44644	0.1
257.04437	1.2
261.07697	0.3
273.03934	0.7
274.04672	2.1
284.02905	0.2
285.03885	2.0
287.05447	0.2
287.08942	0.3
302.04193	6.0
303.04553	0.2
305.10153	0.3
315.04907	0.2
317.06519	65.0
318.06882	1.7
321.09650	1.9
323.11218	0.5
329.06415	0.6
339.10712	2.2
341.06699	0.2
359.07565	2.5
383.07379	0.4
427.10104	0.3
431.13730	0.2
435.49915	0.2
445.11127	0.3
461.10474	0.2
463.12274	1.3
479.11819	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	963.2754
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03077	0.1
69.03419	1.2
70.06579	0.2
70.68544	0.2
71.04984	2.2
73.02908	0.1
75.04473	0.1
76.19263	0.1
77.03896	0.1
78.04694	0.2
79.05477	0.1
79.89523	0.1
81.03404	2.4
83.04972	0.7
84.08109	0.1
85.02891	3.6
87.04478	0.1
89.03902	6.1
91.05470	0.4
92.02610	0.1
93.03392	0.2
95.04973	0.2
97.02876	0.5
99.04472	0.3
103.05451	0.2
105.03370	0.1
106.04166	0.2
107.04978	0.1
109.02858	0.9
111.00822	0.1
111.04436	0.4
113.32262	0.1
117.03360	16.3
118.03720	0.2
119.04967	0.1
121.02847	0.3
121.06450	0.1
124.05195	0.3
127.03906	0.6
129.04512	0.1
129.05438	0.9
131.04890	0.1
134.03622	1.2
135.04404	1.4
137.05952	0.3
139.03853	0.2
145.02821	46.1
146.03145	0.9
147.04391	0.2
147.06500	0.2
149.05952	6.4
151.03902	0.5
151.04953	0.1
153.01808	1.6
158.05991	0.3
161.05936	0.1
162.03137	0.1
162.05481	0.1
163.03857	0.6
165.01825	0.2
177.05440	100.0
178.05788	1.6
179.06987	0.2
186.05470	1.3
187.05865	0.1
189.05461	0.2
191.03394	0.1
191.07042	0.1
195.06503	1.6
199.31255	0.1
201.05536	0.1
203.03377	0.1
207.06430	0.2
217.04916	0.2
217.08627	0.1
218.05751	0.2
228.04137	0.3
229.04930	0.7
231.06529	0.1
233.07864	0.1
237.07544	0.2
241.08577	0.2
243.10043	0.1
245.04398	0.2
246.05249	0.4
255.08632	0.1
257.04391	0.7
259.09647	0.2
261.07657	0.1
269.08167	0.1
273.03806	0.4
274.04718	1.1
277.90576	0.1
279.08655	0.1
285.03888	1.1
286.04401	0.1
287.05685	0.1
287.09097	0.5
298.04642	0.1
301.03299	0.1
302.04181	3.7
303.04626	0.1
303.08640	0.3
305.10175	0.5
314.04037	0.2
315.04938	0.2
316.05704	0.1
317.06506	32.0
318.06796	0.7
321.09641	3.7
322.09949	0.1
323.11176	0.9
329.06433	0.5
330.07370	0.1
339.10703	6.0
340.10703	0.2
341.06485	0.2
359.07529	1.6
383.07733	0.5
409.09122	0.2
427.10223	0.3
431.13324	0.2
445.11441	0.4
449.14465	0.1
461.10727	0.1
463.12350	1.0
479.11823	0.7
485.16333	0.1
625.17395	0.1
780.91150	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	954.6133
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05498	65.8
68.28592	0.5
69.03423	2.8
69.07060	16.5
69.85194	3.2
69.85505	0.5
71.04980	2.0
71.08613	0.7
73.02913	4.9
77.03890	0.7
79.05482	42.5
80.05827	0.7
81.03387	2.0
81.07047	71.3
82.07375	0.7
83.04979	2.8
83.08608	7.9
85.02895	17.3
85.06522	2.2
91.03945	13.0
91.05470	25.7
93.07030	52.6
94.07336	0.8
95.04968	4.3
95.08594	54.7
96.04494	0.8
96.08908	0.9
97.02881	8.8
97.06503	3.0
97.10150	4.9
98.20883	0.7
99.04430	1.1
99.08090	1.9
105.04531	1.4
105.06296	1.2
105.07018	22.0
106.43618	0.5
107.08581	27.8
109.02850	0.6
109.06492	2.0
109.10143	25.6
110.54939	0.5
111.08072	1.5
115.03958	0.6
115.05437	1.0
117.07005	7.3
119.08570	19.8
121.10130	24.9
123.11698	9.2
125.09629	1.2
127.03917	4.3
129.06956	1.8
131.08548	15.0
133.10124	15.9
134.10393	1.0
135.08101	0.9
135.11678	19.4
137.09592	1.5
137.12326	0.6
137.13194	2.9
143.08531	2.6
144.06688	0.6
145.04962	6.0
145.10109	12.1
147.11674	12.8
147.61398	0.6
149.09549	0.7
149.13254	12.1
151.11156	1.0
151.14792	1.0
153.12770	0.7
155.08571	1.0
157.10121	2.0
159.11653	9.3
161.13229	10.4
163.05988	6.9
163.14806	5.2
169.10234	0.9
171.11685	3.0
173.13239	10.2
175.11189	0.6
175.14789	4.9
177.12723	1.0
177.16386	2.0
179.14275	1.2
183.11653	1.0
185.13240	2.9
187.14835	4.9
189.16351	1.6
191.14363	0.9
197.13283	0.9
199.14801	1.8
201.16379	2.4
203.18004	1.0
213.16443	1.3
215.17957	1.0
217.19405	0.8
227.17873	0.7
231.20900	0.9
233.22575	1.1
241.19611	2.9
243.21042	7.6
259.20511	9.2
261.22101	21.8
261.24878	1.3
263.23727	1.9
277.21790	0.8
279.23138	1.3
287.23703	0.9
291.23254	0.7
299.23593	1.1
301.25027	0.7
309.37814	0.6
315.23285	0.6
315.26840	0.7
317.24872	3.8
321.24405	0.8
333.24207	8.3
335.25763	100.0
336.26193	2.0
337.27304	12.4
503.42783	0.8
521.43494	3.9
539.44635	1.3
543.40393	1.1
595.47156	16.4
613.48157	20.0
614.47858	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	956.6293
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05498	48.3
69.07071	19.8
70.83276	5.0
71.08629	2.6
79.05484	23.0
81.06594	4.7
81.07050	59.9
83.08608	12.6
84.18330	2.4
85.02892	20.5
89.75687	2.4
91.03939	14.3
91.05472	15.8
93.07040	31.6
95.04977	2.3
95.08598	47.8
97.02882	8.0
97.06509	3.0
97.10164	6.1
105.07019	13.3
107.08580	20.8
109.10144	20.0
111.08035	2.6
117.07011	3.1
119.08585	12.8
121.10107	17.7
123.11691	11.0
127.03883	8.8
131.08543	5.6
133.10118	10.3
135.11694	11.9
145.04926	6.3
145.10085	3.3
147.11661	9.6
149.13220	8.3
159.11681	6.1
161.13255	9.5
163.05980	14.2
163.14696	7.1
173.13268	5.3
175.14813	4.7
233.22466	3.1
243.21071	7.7
245.22572	2.9
259.20621	4.5
261.22144	29.1
263.23669	5.0
317.24762	6.5
333.24094	6.3
335.25772	90.7
337.27328	100.0
338.27631	4.4
339.28925	10.4
523.44849	5.4
541.45923	3.3
597.48822	45.7
598.48718	3.6
615.49707	54.0
616.49139	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	947.5482
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05500	47.8
69.03403	1.8
69.07061	11.1
71.04980	1.1
71.08613	0.9
71.14262	1.2
72.75726	0.7
75.04466	1.1
79.05486	32.6
81.03390	1.6
81.07048	52.7
83.04965	1.3
83.08623	5.7
85.02885	1.7
85.06519	2.2
91.03941	0.8
91.05470	16.1
93.07034	39.6
95.04955	3.5
95.08599	42.3
97.01205	0.7
97.02901	1.0
97.06503	2.4
97.10136	2.4
98.98460	34.1
99.08079	1.7
105.04492	1.0
105.07020	13.8
107.08588	28.4
109.06486	1.1
109.10146	21.5
111.08073	1.2
111.77962	0.8
113.09641	1.1
116.99477	1.4
117.07014	5.0
119.08575	12.4
121.10133	23.1
123.08024	1.1
123.11703	10.0
125.09553	0.9
131.01221	0.7
131.08554	12.6
133.10107	10.4
135.11682	17.7
137.09622	1.3
137.13246	3.3
139.11163	1.0
143.08545	0.9
145.10117	10.1
147.11682	8.0
149.13232	13.2
151.11203	1.2
151.14745	1.5
153.12712	0.8
155.01048	5.4
159.11697	7.4
161.13248	7.4
163.11244	0.8
163.14816	8.2
165.12726	1.8
173.02095	6.3
173.13274	8.6
175.14815	3.0
177.12788	1.5
177.16449	3.5
179.14301	1.7
187.14810	4.4
191.14372	1.2
201.16380	1.4
205.15962	1.4
233.22597	2.7
243.21077	19.5
261.22119	61.1
262.22449	1.0
279.23083	1.1
317.24561	3.5
335.25775	100.0
336.26123	2.1
353.26901	12.2
369.24197	0.9
387.25250	0.9
415.22418	1.5
423.27496	0.7
463.94873	0.7
497.31213	4.5
976.79700	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	937.5848
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05493	1.6
69.03423	2.4
69.07053	0.4
71.01351	0.4
71.04979	0.4
71.08620	0.7
71.52975	0.1
73.02906	3.1
79.05473	1.2
81.03408	1.3
81.07041	1.9
83.04990	0.2
83.08614	0.5
84.14845	0.1
85.02894	4.5
85.10184	0.4
87.04463	0.3
91.03935	3.7
91.05480	0.6
93.07030	1.2
95.04958	0.2
95.08591	1.8
95.09093	0.2
97.02881	5.0
97.10172	0.2
99.04443	0.7
101.02365	1.4
103.03931	0.3
104.99254	4.2
104.99915	0.2
105.07029	0.3
107.08613	0.5
107.96729	0.2
109.02884	0.6
109.10156	0.9
115.03915	0.3
119.08576	0.3
121.10174	0.6
122.59901	0.1
123.11755	0.2
127.03907	1.4
131.08603	0.3
133.10066	0.2
135.11703	0.3
140.06248	0.1
144.06004	0.1
145.04982	0.3
147.11708	0.2
185.04155	0.8
186.99535	1.8
203.05205	0.7
215.14270	0.2
239.23743	0.2
243.08363	1.6
268.99872	2.0
271.97366	0.3
278.95465	0.2
286.99042	0.3
299.24863	0.1
300.53970	0.1
305.08499	0.2
313.27417	0.5
319.70419	0.2
335.25931	0.4
341.27213	0.1
347.09454	1.9
351.00189	0.2
360.95691	0.2
363.08902	0.3
365.10449	0.7
381.16104	0.1
405.13669	4.6
433.00497	0.5
435.97522	0.2
497.30762	3.1
497.37686	0.2
519.29193	5.0
659.35913	3.4
659.46191	0.3
660.37006	0.2
681.34442	5.8
682.35413	0.3
766.48346	0.2
775.52887	1.2
841.30890	0.2
937.58429	100.0
938.58789	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	933.2858
Annotation	Unknow
Peak:m/z	Relative Intensity
67.66930	0.2
68.99833	0.2
69.03427	1.6
71.01335	0.3
71.04987	13.3
73.02911	1.3
73.36169	0.2
74.36853	0.1
75.04121	0.2
75.04459	1.0
75.31048	0.2
81.03400	0.8
83.04973	4.0
85.02897	23.0
86.03271	0.2
87.04456	0.7
91.03961	0.2
92.02628	0.3
93.03419	0.3
95.04948	0.5
97.02888	2.1
98.21523	0.3
99.04463	0.6
99.23606	0.2
107.77219	0.2
109.02837	0.8
111.04428	3.2
113.06004	0.3
117.05508	0.3
117.71327	0.2
121.02871	0.4
126.03123	0.2
127.03913	1.4
129.05467	5.7
135.04430	0.2
139.03903	0.5
145.04930	1.5
147.06511	2.4
151.03886	0.8
153.01814	3.8
153.03003	0.3
153.05423	0.8
159.06541	0.3
162.15027	0.2
163.03802	0.2
163.06052	0.7
165.01849	0.7
171.06563	0.3
177.05536	0.3
178.20375	0.2
183.06415	0.2
190.06285	0.2
195.06456	0.2
201.05472	0.3
213.07619	0.2
217.04993	0.3
218.05757	0.4
228.04172	0.6
229.04924	1.8
231.02731	0.2
239.09045	1.1
245.04465	0.7
246.05231	1.1
255.08742	0.3
257.04425	2.0
257.10162	0.4
260.03177	0.2
273.03909	1.0
273.09698	0.3
274.04672	2.8
275.11304	0.6
284.03201	0.2
285.03882	3.5
293.12439	0.4
302.04184	10.1
315.04745	0.5
317.06525	100.0
318.06882	3.2
329.06540	1.4
330.07208	0.2
341.06488	0.6
355.07965	0.2
359.07632	2.8
371.07581	0.2
383.07828	0.9
409.09042	0.3
427.10217	0.8
445.11197	0.5
461.10837	0.4
463.12299	1.8
479.11798	3.5
625.17401	0.7
927.84991	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	932.6287
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03935	1.5
67.05496	29.7
69.03423	1.0
69.07071	8.3
69.82725	3.9
71.04957	1.2
71.08620	13.5
73.02903	4.1
74.23985	0.6
78.10641	0.7
79.05482	15.3
81.03409	0.9
81.07047	34.4
83.08612	7.9
85.02894	13.1
85.06508	1.6
85.10165	9.5
89.06005	1.8
91.03947	9.6
91.05464	9.3
93.07026	20.9
95.04934	1.8
95.07980	1.6
95.08591	31.5
97.02897	7.3
97.06512	1.8
97.10173	4.0
98.20662	0.9
101.06019	0.7
105.07001	6.6
107.07870	1.1
107.08575	14.4
109.02861	0.6
109.10151	15.5
111.11681	1.0
117.06979	2.6
117.78012	0.7
119.08562	4.4
121.10137	10.9
123.11656	6.4
127.03889	3.3
131.08531	5.5
133.10123	4.4
135.11681	8.8
137.13208	2.2
139.46678	0.7
145.04945	5.4
145.10127	4.4
147.11681	2.9
149.13235	6.1
159.11667	4.0
161.13278	4.0
161.14444	0.7
163.06009	7.1
163.14807	2.9
173.13295	3.4
175.14818	1.5
177.16376	1.6
187.14812	1.7
201.16391	0.7
233.22641	1.5
239.23659	3.1
243.21042	8.7
257.24728	1.5
261.22104	37.0
262.22522	0.9
299.23566	1.0
313.27322	100.0
314.27591	2.3
317.24692	5.4
335.25748	76.7
336.26160	2.1
492.68604	0.7
499.45163	1.4
573.48694	45.0
574.48572	2.0
591.49652	6.2
773.81604	0.8
873.86450	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	933.286
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03949	0.1
67.01860	0.1
69.03421	1.6
70.07648	0.1
70.45405	0.1
71.01337	0.4
71.04984	13.3
73.02911	1.4
75.04465	1.1
81.03400	0.6
83.04578	0.1
83.04971	4.4
85.02893	20.6
86.03243	0.2
86.06032	0.1
86.09675	0.1
87.04450	0.7
89.40501	0.1
91.03944	0.9
92.02633	0.3
93.03408	0.4
95.04946	0.5
97.02880	1.6
97.06513	0.2
99.04444	0.9
101.05971	0.1
103.03960	0.2
106.92613	0.1
109.02864	0.5
111.00830	0.1
111.04427	3.1
113.05985	0.5
115.03976	0.2
117.05473	0.4
121.02853	0.6
121.06416	0.1
123.04466	0.2
124.07749	0.1
125.05998	0.2
126.03127	0.2
127.03894	1.4
129.05469	6.2
135.04422	0.2
137.02347	0.2
137.05893	0.2
139.03888	0.7
145.04944	1.3
147.06500	3.4
151.03886	1.1
151.07495	0.1
153.01808	4.0
153.05432	0.7
157.04933	0.2
159.06549	0.2
163.03976	0.2
163.05991	1.0
165.01790	0.5
169.04999	0.1
171.06500	0.4
177.05482	0.4
179.06967	0.2
183.02907	0.1
183.06526	0.2
201.05502	0.4
201.07466	0.2
203.03305	0.2
213.07544	0.3
217.04936	0.4
218.05736	0.3
219.02872	0.2
228.04150	0.4
229.04953	2.2
231.02762	0.2
237.07646	0.2
239.09077	1.3
245.04318	0.7
246.05194	1.1
255.08688	0.6
257.04398	1.9
257.10065	0.6
259.02151	0.1
260.03049	0.3
261.07523	0.3
271.05841	0.1
273.03943	1.3
273.09564	0.2
274.04703	3.1
275.11261	1.0
284.03180	0.3
285.03885	3.4
286.04565	0.2
288.06107	0.2
293.12308	0.9
297.09863	0.1
298.04568	0.2
299.05356	0.2
301.03287	0.2
302.04169	10.2
303.04495	0.3
309.11887	0.3
313.06961	0.3
314.04233	0.3
315.04956	0.4
316.05759	0.2
317.06512	100.0
318.06903	2.9
329.06506	1.9
330.06897	0.2
340.05695	0.1
341.06543	0.8
353.06290	0.2
355.08182	0.3
359.07556	3.9
367.08063	0.2
371.07843	0.2
383.07590	1.4
409.09180	0.3
413.09052	0.1
427.10126	1.1
442.91550	0.1
443.09796	0.2
445.11234	0.9
461.10757	0.4
463.12366	2.6
479.11783	4.3
480.11850	0.2
521.12585	0.2
589.15814	0.2
607.16583	0.2
620.06171	0.1
625.17542	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	932.3014
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05490	0.7
68.99773	1.5
69.03426	12.4
69.07057	0.9
69.34908	3.7
69.35317	1.5
70.06585	15.1
71.01331	0.7
71.04968	1.7
71.06894	0.8
72.08149	10.6
73.02895	2.0
78.04688	0.8
79.05478	3.7
81.03409	24.2
83.04985	1.3
84.04482	1.8
84.08132	6.0
85.02895	28.1
86.09698	7.7
87.00824	13.8
91.03957	0.7
91.05463	3.2
93.07497	0.6
95.04961	1.8
97.02876	18.2
98.21550	1.2
99.04433	5.7
99.17265	0.7
99.32572	0.7
102.04699	0.6
102.05515	1.5
103.03936	0.8
103.05440	2.7
105.01855	11.7
105.06980	1.0
107.04944	9.3
108.04465	1.6
109.02873	21.1
111.04406	1.5
115.05427	5.9
115.08703	0.8
117.01824	1.3
117.07008	13.1
121.06477	1.0
123.04429	3.2
124.05186	2.3
124.07619	0.6
125.05947	0.8
126.05470	1.2
127.03905	28.7
128.06232	0.7
129.01831	1.0
129.06979	2.3
129.10254	2.7
130.06465	0.9
131.04857	1.0
131.08568	3.3
133.06441	0.8
136.07587	1.2
137.05945	1.3
141.06952	1.6
143.04922	0.9
144.05659	2.9
144.06625	0.7
145.04947	8.8
145.06462	33.5
147.07985	1.2
149.05989	0.7
151.03870	1.2
152.04637	1.2
155.06006	3.9
156.05646	6.3
157.06403	0.9
158.07185	0.7
159.02869	5.7
159.08031	7.8
159.09247	1.0
161.05974	2.7
163.03833	0.8
167.07024	51.9
168.07317	0.9
169.05067	0.9
169.06429	1.1
172.05238	0.8
173.05969	61.5
174.06407	1.2
175.07501	1.6
177.05516	1.3
179.06990	0.8
181.04947	2.5
181.08545	1.0
183.06361	0.8
183.14833	1.1
184.05157	2.6
186.06721	0.8
187.07483	7.0
189.03915	2.1
190.06230	36.8
191.06914	2.1
193.04965	0.9
193.08577	2.0
195.06459	0.9
199.10811	0.7
201.09029	0.7
202.06219	4.2
203.06998	7.1
205.08578	100.0
206.08965	2.1
207.06512	1.8
209.07976	0.9
213.03937	5.8
215.06955	1.6
217.08575	44.4
219.08131	1.6
219.10153	5.1
223.09549	2.0
229.08673	0.9
231.04999	9.3
231.07466	1.1
231.10023	0.9
233.09552	0.8
235.09608	28.8
236.08165	0.9
245.09825	0.8
247.07529	1.4
247.09645	10.0
248.08031	2.9
249.05946	2.2
249.08731	0.7
249.11136	3.0
261.09100	0.8
263.07065	0.8
263.10602	2.3
265.10693	64.6
269.08044	2.7
271.09570	2.7
273.05914	3.7
276.07846	1.7
277.08325	1.0
279.10190	2.1
280.10886	0.8
282.08902	1.0
285.11246	0.6
290.09296	1.2
291.10037	3.3
293.08051	2.0
296.10321	0.8
299.08936	1.2
307.09601	2.2
308.10294	0.8
311.12714	1.1
315.08621	10.2
319.09918	1.3
323.12695	3.1
330.10947	18.2
331.11807	4.3
336.09903	1.0
337.10605	1.6
339.07214	0.9
339.12088	1.2
343.11673	2.2
351.12244	4.0
353.10193	1.6
362.41690	0.7
368.12402	1.7
369.13394	3.6
371.14749	4.0
383.14847	18.9
383.19839	0.9
384.15353	0.9
385.16422	3.2
401.15930	41.8
402.16232	1.3
417.15295	1.9
430.23969	1.8
497.05539	0.8
521.14313	0.8
527.19006	1.0
529.31049	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	917.5137
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05492	3.3
69.07059	19.4
71.08622	5.4
71.52990	0.3
71.53379	0.6
73.02909	0.4
75.66998	0.3
79.05493	2.0
81.07040	4.1
83.04958	0.4
83.08607	18.0
85.10184	2.0
87.52641	0.3
91.05482	0.4
93.07045	2.4
95.08590	2.8
97.06521	1.6
97.10155	12.4
98.98455	6.3
107.08575	1.9
109.10141	1.5
111.08067	1.2
111.11709	3.9
121.10103	2.5
123.11681	1.0
125.09647	0.5
125.13226	0.4
135.11664	2.2
139.11107	0.5
149.13240	1.0
155.01042	2.8
163.14774	0.5
173.02132	0.6
176.51436	0.3
177.51953	0.3
178.08235	0.4
196.39235	0.4
219.20927	0.6
237.22150	0.6
311.25763	100.0
312.26163	2.1
337.27356	2.7
447.24951	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	903.2756
Annotation	Kaempferol 3-glucosyl-(1->3)-rhamnosyl-(1->2)-[rhamnosyl-(1->6)-galactoside]
Peak:m/z	Relative Intensity
67.05503	0.2
68.99805	0.2
69.03418	1.7
70.04588	0.1
70.06585	0.1
71.01331	0.3
71.04984	12.8
71.52087	0.2
73.02915	0.9
73.80932	0.1
75.04469	1.1
79.05460	0.1
81.03387	0.5
83.04972	3.3
85.02894	20.7
86.03238	0.1
87.04460	0.6
95.04953	0.4
97.02881	1.5
99.04443	0.6
101.06005	0.2
103.03941	0.2
105.03394	0.1
107.05001	0.2
109.02872	0.8
111.00794	0.4
111.04430	2.2
111.05178	0.1
113.06013	0.2
115.03856	0.1
116.95833	0.1
117.05477	0.5
117.59212	0.1
121.02841	1.5
121.06485	0.1
123.04436	0.1
125.05994	0.1
127.03902	1.4
129.05464	5.8
133.02831	0.3
135.04462	0.2
137.02347	0.5
137.05959	0.1
145.04942	1.2
147.04369	0.3
147.06493	2.1
151.03888	0.1
153.01802	1.8
153.05443	0.6
157.04852	0.2
157.06429	0.2
159.06540	0.1
161.05983	0.1
163.03894	0.1
163.06012	0.6
165.01796	1.0
171.04388	0.1
171.06491	0.2
175.07346	0.1
177.05431	0.1
183.02901	0.5
183.06473	0.1
185.05986	0.3
197.30069	0.1
201.07581	0.1
213.05484	0.7
213.07358	0.2
231.06522	0.3
239.09094	0.8
241.04880	0.6
255.08914	0.2
257.10236	0.3
258.05231	0.8
259.06070	0.2
269.04288	0.2
273.09729	0.2
275.11349	0.5
283.06049	0.2
286.04657	0.2
287.05457	100.0
288.05807	1.7
293.12384	0.2
299.05481	1.0
300.06201	0.3
311.05429	0.4
313.07077	0.2
317.06540	0.1
325.07089	0.2
329.06479	2.7
337.06924	0.1
353.06464	0.8
379.08035	0.3
395.07251	0.1
397.09088	0.7
413.08731	0.2
415.10339	0.6
424.45480	0.1
431.09155	0.1
433.11252	0.7
449.10745	29.2
450.11069	0.5
491.11703	0.6
523.46295	0.1
559.14331	0.2
577.15076	0.4
595.16547	1.9
600.12909	0.1
611.15649	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	899.2341
Annotation	Unknow
Peak:m/z	Relative Intensity
65.66502	0.7
69.03392	1.2
70.44545	1.6
72.20414	0.6
82.99864	1.2
85.02913	1.2
89.27357	0.7
91.47356	0.8
91.95189	0.7
101.00878	2.6
105.00322	1.1
105.03390	1.7
113.00876	0.7
113.76535	0.9
117.03977	1.4
119.01904	17.3
127.02435	2.4
129.03915	0.8
131.01903	7.8
134.99637	1.0
137.02966	4.2
141.03989	1.2
143.01874	10.7
145.03450	20.0
147.01335	0.8
149.02962	1.6
155.01866	7.9
157.03455	3.7
159.05014	10.0
161.02933	17.7
163.04512	7.2
167.01920	3.3
168.05070	1.0
169.03441	19.3
171.01422	2.0
171.04961	4.2
173.02937	14.2
175.04428	1.0
179.01823	0.8
181.03441	4.6
183.04977	1.6
185.01340	0.7
185.02922	21.0
187.04495	40.9
188.04716	0.7
189.02390	7.4
189.06056	1.5
191.03996	1.5
196.04495	1.0
197.02916	6.4
199.04517	9.9
201.02379	1.3
201.06119	1.5
203.03957	8.9
205.03622	0.9
205.05629	0.8
207.03523	2.0
209.02916	0.9
210.06126	1.7
211.04475	7.0
213.02406	8.2
213.06036	2.1
215.00336	1.7
215.03928	6.7
217.05557	1.2
221.05078	2.3
223.04457	4.9
225.02534	3.4
227.04005	4.4
229.05569	2.7
231.03465	19.0
233.01530	1.5
239.03972	1.5
241.05516	1.4
243.03490	2.6
245.05040	34.6
246.05315	2.6
251.02606	0.8
253.05618	1.0
254.05223	0.9
255.03514	0.9
257.01343	4.5
257.05084	1.6
261.04813	0.9
263.06100	6.5
267.03275	1.1
271.06564	7.8
273.04504	1.3
275.02435	34.8
275.05908	1.9
276.02625	2.1
286.07803	0.8
287.02475	11.7
293.03546	14.1
293.06772	1.5
297.04474	1.0
305.03564	4.2
305.06827	1.1
307.06668	5.1
311.04599	1.7
315.05615	2.4
316.05035	1.0
333.06882	1.5
335.04587	4.7
341.03516	1.7
349.07736	1.8
359.04407	4.5
365.09286	3.3
377.05566	20.1
378.05652	1.1
395.06638	39.9
396.06973	1.7
539.10876	7.1
540.11078	1.1
543.83154	0.8
557.11951	100.0
558.12286	6.4
575.12219	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	899.2349
Annotation	Unknow
Peak:m/z	Relative Intensity
63.62273	0.6
64.91866	0.6
69.03409	0.9
71.21899	1.4
82.99844	1.1
84.96026	0.6
85.02911	2.0
94.99844	1.0
97.02884	1.3
97.26587	0.6
98.97587	1.5
101.00862	5.7
103.91301	0.6
109.02885	0.9
113.00889	1.1
116.98605	1.0
117.03976	0.9
119.01909	21.3
127.02399	3.1
127.03940	0.7
129.04031	0.6
131.01892	9.3
133.03481	1.1
135.05060	1.3
137.02927	3.7
141.03996	1.7
142.03542	0.7
143.01884	14.0
145.03462	21.7
147.01385	1.5
147.05061	0.6
149.02963	1.5
153.03958	0.8
155.01857	7.6
155.02931	0.7
157.03439	5.2
159.05020	10.4
161.01538	1.1
161.02948	22.7
163.04523	7.7
167.01907	3.8
169.03445	21.6
171.01491	1.6
171.05008	5.2
173.02951	18.2
175.04552	1.8
177.00798	0.7
177.06104	1.7
181.03445	3.9
183.04932	1.0
184.04584	0.9
185.02933	23.0
187.04504	44.3
188.04686	1.2
189.02411	7.1
189.06097	1.8
191.03952	1.0
193.03540	0.7
195.05072	0.7
197.02895	7.2
199.04491	8.6
201.00793	0.6
201.02428	1.1
201.06088	1.7
203.02286	1.2
203.03981	9.2
207.03474	1.4
208.04643	0.6
209.02934	0.9
210.06154	1.3
211.04517	7.2
213.02438	9.4
213.06075	1.9
215.00508	0.8
215.03989	6.7
217.05650	1.1
219.01741	1.1
221.05043	3.0
223.04503	2.9
225.02495	2.7
227.03998	4.5
229.05551	3.6
231.03491	18.0
232.03653	0.7
233.01460	1.2
239.03969	0.7
241.05658	0.8
243.03569	2.5
245.05052	41.8
246.05225	1.5
249.04739	1.0
253.05750	0.9
255.03641	1.2
257.01462	5.0
257.05072	2.7
263.06097	6.2
266.38467	0.6
267.03430	0.9
269.01398	0.8
271.06580	7.4
273.04538	1.2
275.02454	34.9
275.06042	2.9
276.02682	1.0
279.03220	0.8
287.02451	11.4
287.05682	0.8
293.03531	12.0
293.07159	1.9
297.04462	1.5
305.03604	4.8
305.07364	1.6
315.05685	2.4
316.05014	1.5
317.03543	1.4
333.06705	0.7
335.04593	5.5
335.08133	0.9
336.06824	0.9
341.03662	1.9
347.08319	1.7
359.04428	3.4
365.09372	2.8
377.00864	0.6
377.05576	19.5
378.05823	1.0
395.06680	37.2
396.06995	1.4
413.09216	0.9
425.11462	0.7
437.07816	0.7
437.86914	0.6
521.09912	0.8
522.34619	0.7
539.10999	7.0
556.08301	0.7
557.11945	100.0
558.12201	4.5
573.09930	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	891.2545
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03932	0.4
67.05506	0.3
69.03423	4.3
70.06586	1.1
70.12663	0.9
71.04987	7.2
72.08118	0.3
73.02914	0.6
75.04485	0.4
77.03944	0.6
77.47520	0.2
79.05482	2.6
81.03410	10.4
82.52276	0.2
83.04981	1.8
84.08134	0.5
85.02897	13.0
86.09727	0.5
91.05438	0.3
91.07603	0.2
92.02619	0.5
93.03385	0.4
95.04961	4.1
97.02881	6.5
97.06530	0.3
99.04448	1.3
103.03929	0.4
103.05461	0.3
105.03381	65.3
106.03712	0.8
107.04967	0.2
109.02866	6.0
111.04440	1.4
121.02831	0.7
121.10196	0.2
123.04418	5.4
125.06043	0.2
126.03096	0.2
127.03901	5.5
129.05475	2.7
131.04872	0.3
137.05945	0.6
139.03880	0.7
145.04935	2.2
145.06114	0.2
145.06493	0.2
147.06514	0.7
149.06010	0.2
150.74898	0.2
151.03922	1.1
151.07530	0.5
153.01814	4.4
161.04837	0.2
161.06110	0.2
165.05446	0.7
167.07057	2.0
173.06024	0.6
177.05493	0.6
181.05006	1.4
191.06984	0.3
195.06572	0.4
201.05489	0.5
203.03308	0.4
207.06450	0.4
217.05038	0.4
228.04140	1.0
229.04932	2.1
231.06442	1.2
237.07596	0.8
243.06335	0.2
245.04485	0.6
246.05240	1.0
249.07553	15.6
250.07890	0.6
255.08673	0.7
257.04440	1.6
260.02893	0.2
267.08600	9.2
268.08813	0.2
273.03830	1.1
274.04718	3.1
284.03076	0.5
285.03906	3.6
286.04517	0.3
288.06219	0.3
302.04190	9.9
303.04678	0.4
315.04877	0.2
317.06528	100.0
318.06924	3.6
329.06610	1.2
341.06531	0.6
344.05219	0.2
359.07523	3.5
377.12460	0.4
383.07431	1.0
385.12729	0.5
387.14520	0.3
417.15396	0.3
425.08411	0.3
427.10336	0.4
445.11493	0.5
461.10379	0.4
463.12448	1.5
479.11569	1.9
583.14288	0.6
600.90302	0.2
625.17126	0.3
643.23309	0.3
751.16229	0.2
891.27087	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	872.4114
Annotation	Unknow
Peak:m/z	Relative Intensity
60.67886	2.7
61.02912	7.2
64.40607	2.6
67.05491	26.4
68.99786	4.3
69.03083	4.6
69.03423	48.2
69.07059	45.9
69.92476	7.1
69.92867	6.9
70.06579	6.7
71.04971	6.7
71.08620	4.3
72.08129	3.9
72.26121	2.7
73.02905	4.4
79.05476	15.1
81.03409	44.6
81.07048	71.8
83.04964	5.6
83.08614	19.5
83.09038	3.0
85.02898	85.0
85.06522	2.8
86.09708	4.8
87.00808	46.9
91.05468	11.1
93.07039	36.3
95.04987	13.4
95.08601	69.8
97.02880	55.0
97.06512	9.8
97.10171	9.9
99.04439	16.4
103.03915	3.0
105.01858	51.3
105.07023	25.8
107.08572	46.6
109.02867	58.2
109.06529	8.7
109.10152	52.0
111.04427	31.9
111.08086	7.7
111.11708	9.3
117.01841	3.1
117.06972	3.3
119.08562	34.3
121.06510	10.6
121.09319	4.8
121.10126	42.7
121.10944	4.2
123.04389	4.2
123.08051	7.1
123.11683	30.4
125.05989	11.9
125.09672	3.4
127.03906	85.0
129.01773	5.3
131.08472	5.4
133.10110	30.8
135.08076	8.0
135.11670	25.8
137.05994	4.9
137.09621	8.1
137.13243	18.3
139.07555	6.0
139.11180	3.7
143.08505	4.2
145.04959	16.1
145.10114	11.4
147.02885	3.9
147.11682	24.8
149.09628	8.9
149.13251	20.2
151.11224	4.5
153.09045	4.4
155.08379	3.1
159.02882	11.1
159.08040	6.8
159.11716	10.1
161.09598	13.7
161.13249	11.6
163.11185	4.6
163.14850	10.1
165.09097	7.3
167.10646	11.7
169.04985	4.8
169.08650	3.4
171.10228	2.8
171.11707	5.2
173.13271	5.3
175.11223	4.8
175.14801	12.5
177.05479	4.4
177.12770	3.5
177.16377	9.4
179.10631	8.4
181.12244	4.4
189.03935	4.8
189.16354	9.7
193.12195	9.1
193.19624	4.4
195.13808	5.8
203.14299	4.4
203.17917	6.9
205.19495	4.8
207.13814	4.9
213.03929	22.3
213.16415	4.9
221.15289	6.3
223.17023	7.7
231.04994	37.3
231.17336	3.1
235.16902	5.5
245.22656	4.3
249.06001	17.8
249.18437	15.5
259.24188	19.0
269.22726	4.5
273.06003	13.4
277.25262	7.6
287.23657	37.4
297.05801	3.0
305.24719	100.0
323.25809	60.9
327.23120	3.0
339.07010	5.3
347.25745	5.8
357.08029	7.5
389.26642	3.9
395.25577	15.4
413.26837	33.8
431.28085	14.3
443.07974	6.7
449.28867	10.5
461.08951	9.3
479.09967	4.7
499.26794	4.6
517.28168	16.1
525.30603	4.3
535.29071	34.2
553.30133	31.7
856.05945	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	869.4928
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03937	1.3
67.05497	28.3
68.05813	0.2
69.03377	0.3
69.07059	15.3
70.71270	0.6
70.71626	0.2
71.04982	0.8
71.08614	1.2
75.04469	0.4
79.05483	7.3
81.03411	0.3
81.07046	29.8
82.07382	0.5
83.04970	1.0
83.08610	8.3
85.06536	0.9
85.10177	0.3
91.05472	4.9
93.07031	8.3
95.04966	0.9
95.08595	25.5
97.06508	2.1
97.10156	4.2
98.98454	23.3
99.08064	1.1
102.22997	0.2
105.07027	4.0
107.08574	4.9
109.06524	0.6
109.10143	10.0
111.08075	1.3
111.11711	0.8
113.01919	0.2
113.09642	0.5
116.99498	0.9
117.07060	0.2
119.08566	3.1
121.10133	4.7
123.08062	0.8
123.11687	3.7
125.09620	0.5
127.11160	0.4
131.08568	0.3
133.10101	3.9
135.11674	2.6
137.09633	0.5
137.13231	2.1
139.11220	0.4
140.01120	0.3
145.11220	0.2
147.11667	2.7
149.13239	1.7
151.11200	0.4
151.14777	1.5
153.12738	0.3
155.01019	13.8
161.13249	2.2
163.14809	1.3
165.12761	0.5
165.16391	0.8
167.14375	0.3
169.31892	0.2
173.02086	4.3
175.14864	1.4
177.16461	0.5
179.14252	0.3
179.18088	0.2
189.16312	0.7
217.19466	0.3
245.22598	4.9
263.23666	13.7
267.86954	0.3
277.56409	0.2
337.27322	100.0
338.27679	3.6
417.24048	0.5
599.50256	0.6
794.36371	0.2
795.93201	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	868.3743
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02898	3.4
61.67906	0.8
65.03946	1.5
67.05505	5.3
68.05009	1.8
69.03411	3.6
69.07056	3.8
70.06585	100.0
71.04986	1.0
71.52645	1.0
71.53000	0.9
72.08134	2.0
73.02901	1.0
74.00670	1.1
76.02222	17.2
76.03983	1.7
79.05483	6.5
80.04970	1.3
80.57849	0.7
81.03397	3.4
81.07045	8.5
83.04978	1.6
83.06079	3.8
83.08591	3.1
84.04504	7.2
84.08136	1.4
85.02900	6.9
86.00620	1.2
86.09684	3.1
86.99041	1.4
91.03970	1.1
91.05469	12.8
93.07023	7.5
95.04956	2.7
95.08575	2.6
97.01080	1.6
97.02858	3.0
97.06508	2.1
97.07619	2.2
97.10145	3.0
98.06027	3.5
99.04446	1.1
99.05570	1.1
99.95790	0.9
102.05524	1.0
103.05456	4.7
105.03373	2.1
105.07007	3.1
106.06522	1.7
107.04954	9.0
107.08566	2.8
109.02858	1.6
109.06496	2.5
109.07597	2.2
109.10120	2.6
111.04383	2.3
111.08092	1.3
112.02104	1.6
113.00574	1.1
114.05531	1.4
115.05409	0.9
115.08673	2.6
116.01672	7.3
116.07076	1.6
117.07005	2.1
118.06533	15.6
119.07299	2.1
119.08592	3.9
120.08092	50.4
121.06487	30.3
121.07383	1.3
121.10111	1.3
123.04430	4.1
123.08045	1.6
124.02124	1.4
125.07091	4.7
125.09563	4.1
126.03705	1.8
126.05485	1.7
127.03910	1.3
129.06631	3.1
129.26654	1.2
130.04958	2.6
130.06523	2.4
131.04848	1.8
131.08479	1.1
132.08064	0.9
132.61021	0.8
133.10080	2.1
134.05995	3.0
135.04405	10.2
135.08035	1.9
135.11707	1.2
136.06371	1.0
136.07574	1.3
137.00598	0.8
137.06039	1.0
137.07082	15.1
137.09511	0.8
138.03761	1.3
138.09091	4.5
139.02052	1.1
142.03192	3.3
143.08548	1.0
144.01100	3.2
145.06165	1.7
145.10143	1.5
146.05995	39.9
149.09534	1.4
152.07056	54.0
152.08118	2.1
153.08948	8.8
153.12703	2.5
155.08160	2.7
159.07985	1.7
161.09637	2.0
162.02211	7.5
163.03833	1.8
163.07507	1.3
163.11145	1.2
164.07045	1.7
165.06999	1.4
165.09041	1.1
167.07053	1.8
170.02646	2.0
170.09695	1.3
172.11183	22.2
173.11620	1.1
174.05568	1.8
176.07028	1.1
177.03300	1.2
177.05478	1.1
177.07153	0.8
179.04819	8.3
181.10091	1.3
181.12109	1.3
185.03777	3.0
187.05382	3.8
187.12294	1.5
189.11176	1.3
191.10518	1.2
193.06821	1.5
193.10155	1.8
193.12212	1.0
194.08186	1.3
194.09988	2.1
199.12178	1.8
208.11328	1.7
215.04829	1.1
216.12573	5.2
217.13348	3.7
219.08301	1.1
221.09602	15.8
222.09319	0.8
222.12868	1.1
224.10989	1.2
225.10252	2.6
226.12236	1.5
227.12730	1.6
231.04272	6.2
233.05878	6.3
236.10907	1.4
238.12239	5.2
240.10402	1.8
243.04382	1.0
243.11278	3.1
245.05988	1.3
248.10876	1.4
249.12312	8.0
250.12411	1.2
254.12553	1.9
265.13266	3.9
266.11847	1.7
267.14951	1.2
271.16833	1.2
275.12695	1.4
277.11642	5.2
282.12125	1.1
285.12964	1.3
285.15894	6.3
289.17859	1.9
293.12833	20.6
297.12521	1.1
305.15607	1.1
308.09131	5.0
311.14020	8.1
314.12051	1.6
329.15768	1.2
346.18436	3.9
347.16675	1.7
363.21570	3.2
364.19278	2.4
373.18942	2.2
378.18130	7.3
381.22528	1.5
385.18753	1.7
395.18973	2.0
404.16122	1.1
411.17792	1.4
422.17102	37.9
423.17361	1.1
430.21179	7.5
431.18445	1.4
439.21838	1.4
456.23987	1.9
458.20544	2.5
466.22482	0.9
499.26953	1.0
523.24609	3.2
527.26520	10.4
541.25757	15.4
559.26746	43.4
560.27014	1.8
577.27386	3.0
584.22015	3.9
595.26978	1.1
613.27466	3.1
614.27148	1.2
631.28748	7.7
670.29913	5.2
688.31042	9.4
706.32239	81.0
707.32355	4.4
748.33057	1.6
868.37335	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	863.1983
Annotation	Unknow
Peak:m/z	Relative Intensity
61.63773	3.0
62.35021	3.5
69.03429	21.0
69.03754	3.8
70.06573	3.9
70.18469	15.8
74.15871	4.0
85.02893	33.8
97.02888	17.4
98.97593	6.8
116.98595	7.7
119.01903	4.0
127.03890	25.0
128.98610	6.9
134.99756	8.7
143.01865	4.6
145.03368	4.8
145.04921	12.2
146.49576	3.5
153.00941	7.2
153.17209	3.2
158.99860	6.0
161.02925	5.0
162.99313	24.3
163.05896	3.7
173.02939	6.9
177.00955	6.8
177.05429	8.6
178.01422	3.7
179.02524	3.6
185.01411	12.4
185.02979	5.0
186.91637	6.1
189.00899	10.5
195.01990	4.5
196.99039	9.7
197.98970	4.3
201.00862	7.6
203.02463	85.7
205.00371	4.4
211.10725	3.4
211.99811	4.4
213.00888	8.1
215.00404	5.4
215.02467	46.2
215.96758	3.7
217.79050	3.9
219.01971	22.0
221.03549	14.2
223.01010	5.3
225.00923	6.8
226.01846	3.4
227.02383	8.8
231.01958	28.6
232.99913	5.4
233.03513	4.9
239.00142	41.8
239.02330	7.7
241.00336	4.7
241.03896	5.3
243.01974	36.4
245.03471	16.1
245.05363	7.2
247.01509	5.8
249.00981	4.9
251.00127	22.3
253.47943	7.6
253.98068	8.0
255.01973	44.5
256.99979	8.5
257.03494	8.3
259.01645	7.3
261.03119	25.9
261.98459	10.5
266.98102	4.1
266.99091	4.7
267.01904	36.8
271.01404	6.8
273.03040	11.6
275.00977	100.0
276.01047	5.7
277.99884	5.8
279.04300	4.5
280.02002	5.2
283.01379	16.4
285.03055	20.9
287.01230	23.8
288.97040	7.7
289.02545	5.9
290.98666	4.1
293.01990	13.0
294.99820	4.4
297.03070	15.7
298.02567	4.9
298.97507	6.8
299.01199	39.0
301.02933	5.5
302.89005	6.1
303.04156	10.2
309.03079	5.1
309.97665	4.8
310.47568	5.5
311.00906	17.6
312.87570	15.6
315.00513	9.2
315.04105	6.2
317.02036	54.0
318.02249	4.5
321.98132	5.5
322.47754	6.2
327.03983	25.0
329.01953	46.6
330.01950	3.9
330.88641	11.5
339.03995	7.2
340.03784	4.8
341.02271	16.3
345.05032	28.8
352.48611	4.7
357.05005	7.0
359.03171	46.9
360.03018	5.6
366.97543	4.5
367.47342	4.8
367.97406	11.1
373.08051	9.0
377.04099	55.7
378.03900	4.4
383.03180	6.9
387.06189	13.7
394.47891	5.2
395.05542	6.4
401.04138	64.5
405.06912	5.7
413.04312	18.9
416.88751	28.0
419.05295	19.2
425.00772	5.2
431.05322	21.6
434.01318	6.4
439.49423	6.7
440.04907	11.5
440.55057	5.0
443.05194	4.4
447.08530	5.4
448.99747	4.1
449.05893	8.8
458.89578	4.0
461.06277	22.2
465.09363	7.4
479.07657	7.2
507.10522	41.4
520.90015	23.7
521.08807	44.3
521.89917	4.9
522.08746	6.4
539.09399	86.1
540.09271	8.9
557.10840	6.8
581.10541	12.5
593.10455	4.4
641.12195	9.4
701.14368	7.7
747.50415	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	856.4509
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02922	44.6
63.17846	1.3
65.03916	2.3
67.05497	57.5
69.03415	4.1
69.07066	8.0
69.39968	9.7
71.04984	1.3
73.02908	15.4
79.05485	30.3
81.03419	3.5
81.07049	64.0
83.08605	6.9
85.02897	57.6
85.06541	1.8
91.03946	48.9
91.05465	17.4
93.07034	39.3
95.04999	1.7
95.08599	55.3
97.02882	27.7
97.06559	2.0
97.10154	3.7
98.20828	2.8
99.04449	1.6
99.08067	2.1
103.03970	1.4
105.07020	15.4
107.08581	25.7
109.02922	1.5
109.06477	1.5
109.10145	26.8
111.08154	1.6
111.11665	1.6
115.03871	3.0
115.10742	1.4
117.07001	5.2
119.08561	12.5
121.10127	32.3
122.10417	1.3
123.08097	1.6
123.11694	16.3
125.09551	1.3
127.03899	20.4
131.08546	16.3
133.10104	11.1
135.11676	22.3
137.09579	1.7
137.13194	7.1
145.04944	29.9
145.10101	12.0
147.11690	9.1
149.02371	2.0
149.13225	17.1
149.93510	1.3
151.14839	2.3
159.11655	14.2
161.13235	9.4
163.05995	61.1
163.14793	12.4
165.12730	1.8
173.13242	12.6
175.14891	3.9
177.12814	2.0
177.16389	5.5
179.14250	2.7
180.27892	1.2
187.14795	8.6
201.16399	3.0
201.94234	1.3
205.16022	1.4
219.17506	1.9
233.22708	2.7
241.17781	1.3
243.21066	34.1
244.21344	2.5
261.22110	100.0
262.22461	3.9
263.23499	1.9
279.23215	5.2
325.11398	2.4
335.25766	37.9
336.26303	1.4
348.35699	1.3
353.26825	73.5
354.27203	3.8
369.24026	1.4
420.39020	1.2
435.17197	1.5
497.30936	10.6
659.35992	1.7
799.48578	1.5
866.08539	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	852.3802
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02898	0.4
65.03929	0.7
68.05019	0.7
69.03411	1.0
69.83518	1.5
70.06583	100.0
70.64954	0.3
71.06920	0.7
81.03399	0.3
85.02892	2.9
86.09690	0.3
91.05469	17.9
93.07042	2.3
95.04957	0.6
97.02883	0.5
97.07608	2.0
98.06041	2.6
99.04430	0.4
103.05447	5.7
104.95347	0.3
105.03361	1.4
105.07037	0.7
106.49610	0.4
107.04951	3.2
109.02827	0.4
109.07637	1.1
111.04345	1.6
114.05486	0.6
115.05420	0.4
115.08662	1.8
117.05761	0.8
118.06523	15.6
119.04091	0.6
119.04925	7.0
119.07313	2.2
120.08088	46.0
121.06490	27.0
121.08375	0.6
125.07119	2.5
125.09532	0.4
126.05521	0.6
127.03908	0.9
129.64703	0.3
130.06514	2.0
131.04898	1.5
132.08098	0.5
136.07559	40.8
137.07076	13.9
138.08046	0.4
138.09106	3.9
138.57487	0.3
146.05988	38.5
147.04379	3.0
147.06337	0.4
148.07515	0.3
151.07471	0.5
152.08124	1.7
153.05515	0.7
153.08945	7.6
158.05978	0.3
160.07567	0.6
164.07065	1.2
170.09659	0.9
172.11194	17.6
174.05510	0.7
178.07651	0.6
178.08842	0.4
181.10123	0.9
187.12308	1.1
188.10873	0.3
191.08479	0.6
193.10109	1.0
197.10860	0.3
199.12309	2.7
203.11800	0.6
208.11252	1.3
209.09561	0.4
215.08168	0.5
215.11806	1.1
216.12514	3.6
217.13339	3.7
220.11192	0.8
221.09599	14.4
222.09929	0.4
222.12761	0.6
224.10745	0.7
225.10249	2.3
226.12207	2.3
227.11818	0.7
231.11325	0.7
233.12817	5.4
236.10687	0.4
238.12186	4.8
243.11256	2.8
248.10675	1.3
254.12759	1.8
255.15077	0.4
260.14023	0.5
261.12344	3.9
263.11862	0.4
265.13306	5.7
266.11621	0.4
277.13345	1.2
282.12357	0.5
285.15915	5.9
293.12802	24.6
294.13132	0.8
295.14511	0.5
298.12830	4.7
300.13480	0.7
311.13849	5.9
334.18881	0.4
356.16479	0.5
360.17062	1.2
361.15479	0.4
362.18542	5.2
373.18979	2.3
380.19757	0.6
385.19244	2.0
388.16663	2.4
395.18094	4.7
402.21652	0.6
406.17572	28.8
407.17886	1.2
423.17627	2.3
430.21246	7.5
431.21545	0.5
458.20673	2.2
499.26926	1.5
509.25436	0.5
524.23822	1.8
527.26471	10.2
528.26740	0.6
568.22845	18.4
569.22913	0.7
673.29205	0.4
690.32715	40.8
691.33014	2.5
714.32269	0.5
732.33600	0.6
798.34723	0.5
852.37958	8.1
853.37744	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	850.3996
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03620	0.5
65.03934	7.1
68.04985	0.5
68.56516	0.2
69.07041	0.4
69.87779	1.4
70.06586	26.7
71.06904	0.3
71.08628	4.1
72.08107	1.0
74.06054	0.8
75.02316	0.3
75.98372	0.3
84.08123	0.7
85.10146	1.0
86.09676	0.3
88.07622	29.8
89.07950	0.3
91.05449	0.3
93.03368	0.5
95.04946	0.8
97.02856	0.3
98.21486	0.4
102.09171	21.4
103.05469	0.4
105.03362	0.9
111.04441	0.3
121.02834	2.3
131.04866	0.9
133.02838	1.0
139.03885	3.5
147.04405	1.5
149.02330	100.0
149.03403	5.7
150.02672	1.2
167.62852	0.3
175.03894	2.8
177.05496	2.3
180.04121	0.4
191.07037	1.4
193.04947	53.3
194.05287	1.1
200.96994	0.3
212.23750	1.3
219.06485	3.0
225.05357	0.3
237.05650	0.2
237.07550	11.1
256.26324	73.2
257.26746	2.3
269.04434	0.8
297.03949	1.2
300.29016	0.9
313.06842	1.3
341.06537	4.9
343.08167	1.2
359.07767	2.2
368.73474	0.3
385.09128	7.4
411.10516	0.7
429.11938	1.4
533.10394	1.3
577.13361	8.6
578.13470	0.4
596.32330	0.3
621.15967	15.3
622.16174	0.7
640.34863	0.9
832.39032	2.2
850.39954	85.0
851.40277	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	846.3018
Annotation	Unknow
Peak:m/z	Relative Intensity
59.21427	0.3
59.25528	0.3
60.04522	0.6
61.02909	1.2
65.03902	0.4
68.99779	0.8
69.03423	7.3
70.06574	2.6
71.01338	0.5
71.04993	1.7
71.29260	0.7
72.08138	1.0
73.02928	1.6
73.98288	0.3
75.04539	0.3
75.05033	0.3
76.77803	0.3
77.03946	0.5
78.04684	0.7
79.05485	3.6
81.03409	15.6
83.04993	0.4
84.04505	0.5
84.08132	1.0
85.02895	19.3
86.09696	0.6
87.00816	6.9
87.04440	0.4
88.04166	0.3
89.03884	0.4
91.03919	0.4
91.05466	2.3
95.04974	2.3
97.02882	9.2
99.04447	2.7
103.05435	2.5
105.01849	5.1
105.07011	1.7
106.04147	0.6
107.04945	10.1
108.04478	0.7
108.05177	0.3
109.02119	0.6
109.02869	7.5
115.04713	0.4
115.05447	6.1
116.06239	0.6
117.01823	1.1
117.07010	15.2
118.04114	0.3
120.93880	0.3
121.06447	0.9
123.04419	3.0
124.05196	2.4
125.05987	1.0
126.05502	0.6
127.03902	11.9
128.06192	1.0
129.01840	0.4
129.06984	3.0
129.10184	0.4
130.04131	0.9
131.04904	1.3
131.08549	3.7
132.05687	0.8
132.54916	0.3
133.06462	1.5
137.05911	0.6
141.06931	1.9
143.04916	0.7
144.05627	2.5
144.06612	0.3
145.04970	4.3
145.06468	39.8
146.06728	0.6
147.02829	0.4
147.04352	0.6
147.08003	1.1
149.05977	1.0
151.03757	0.4
152.04640	1.0
153.05392	0.7
155.05986	3.9
155.07065	0.7
156.05682	6.7
157.06496	3.0
159.02849	3.5
159.04176	0.5
159.08022	6.8
160.05089	0.7
161.05963	4.0
162.07573	1.2
163.03899	0.8
167.07019	53.1
168.07350	0.5
169.06433	0.8
169.07674	0.6
170.07126	0.3
172.05173	0.8
173.05965	68.2
174.06374	1.6
175.03883	0.6
175.07494	2.1
177.05405	1.1
179.06993	0.7
180.08650	1.6
181.04927	1.1
181.08569	1.1
183.06512	0.9
184.05121	2.4
185.05806	0.6
186.06671	0.5
187.07512	7.0
189.05469	0.6
190.06227	39.7
191.06952	2.5
193.08549	2.3
195.06485	0.7
201.09044	0.4
202.06198	5.1
202.07910	0.6
203.07001	6.2
203.08653	0.5
204.07698	1.1
205.08578	100.0
206.08937	1.7
207.06473	2.1
207.09985	0.6
208.05258	0.6
210.06679	0.6
212.54893	0.4
213.03859	1.1
215.06989	1.3
217.08575	48.2
218.07167	0.9
218.09009	0.8
219.08005	1.6
219.10141	4.7
220.08748	0.6
223.09593	2.5
229.08667	0.7
230.07091	0.4
231.05006	2.0
231.08037	1.4
231.10104	0.8
232.08810	0.6
233.09763	0.8
234.10118	0.4
235.09624	29.8
236.08255	0.4
237.11066	0.4
239.07127	0.4
245.09531	0.7
247.07439	1.8
247.09630	9.2
248.08066	2.1
249.05600	0.4
249.08978	0.8
249.11235	1.6
251.10709	0.6
253.08704	0.4
254.05742	0.8
259.07471	0.8
261.09106	0.9
262.09747	0.9
263.10577	1.7
264.07791	1.7
265.10687	59.8
266.11050	0.7
269.07968	2.5
270.08414	0.4
271.09677	3.0
275.06927	1.1
276.07718	1.3
277.08533	1.0
279.10132	2.2
281.08081	1.0
282.08832	1.0
284.06702	0.5
285.07608	0.5
290.09283	1.0
291.10211	2.2
292.07230	0.7
293.08224	1.8
296.10233	0.4
299.09000	1.0
300.06189	0.4
301.06973	0.7
304.07153	0.4
305.07913	0.9
306.09009	0.4
307.09494	2.4
308.10349	1.3
309.11044	0.4
311.12616	0.7
315.08572	9.5
316.09207	0.5
318.08701	0.4
319.09659	1.0
321.07803	0.6
321.10995	0.5
323.12787	2.7
325.10657	0.7
330.10941	16.9
331.11664	4.7
336.09848	1.4
337.10559	1.6
339.12201	2.2
343.11697	2.1
351.12262	4.9
352.12985	1.1
353.10242	1.6
356.12302	0.9
367.11542	0.4
368.12411	1.9
369.13248	2.8
371.14890	4.1
373.16394	0.5
381.13156	0.4
383.14850	18.8
384.15433	0.5
385.16232	1.1
401.15912	30.5
402.16125	0.6
411.14053	0.4
417.15350	1.6
419.16977	0.4
445.14920	0.5
509.18179	0.5
581.63184	0.4
644.32263	0.4
649.21088	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	841.2298
Annotation	Unknow
Peak:m/z	Relative Intensity
63.64279	1.3
69.03426	2.7
70.34297	2.8
70.34688	2.5
85.02898	3.8
97.02887	4.2
98.97588	2.3
101.00883	4.2
103.02453	2.2
104.82283	1.7
116.98625	1.8
119.01910	20.0
127.02415	4.9
127.03891	1.7
131.01918	10.0
137.02994	2.3
139.02509	1.7
143.00203	1.9
143.01901	13.1
145.03473	31.2
155.01865	17.8
157.03444	12.3
161.02939	17.5
163.04507	4.9
167.01880	6.7
169.03458	4.6
171.01392	6.4
173.02959	37.8
175.04497	2.9
177.05498	2.2
179.01979	3.7
185.02951	33.5
187.04575	4.9
189.00743	2.0
189.02368	7.2
191.04019	2.0
197.02945	12.7
199.00800	3.1
199.04568	2.6
199.49510	1.4
203.04039	12.0
215.04019	9.3
217.01949	42.9
218.02202	2.5
219.01823	2.9
221.05025	5.4
227.04036	8.2
229.01932	8.8
230.02068	1.8
235.00954	2.6
235.02971	20.0
237.02893	2.4
239.03778	1.9
245.05067	74.0
246.05409	4.1
247.02988	5.5
247.06631	1.9
253.04053	3.2
257.05072	9.2
258.04721	2.6
261.02789	1.7
263.06088	11.9
265.03860	1.8
275.06119	5.3
277.04001	6.3
293.07236	2.5
301.04068	6.3
305.07068	4.8
319.05127	10.7
337.06125	20.7
365.09311	8.5
409.52090	2.2
425.11493	3.4
498.53555	2.9
498.91858	3.0
499.11414	100.0
500.11838	6.4
562.80005	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	829.5063
Annotation	Unknow
Peak:m/z	Relative Intensity
58.43705	2.4
61.02916	6.6
62.86564	2.2
65.65975	2.2
67.05499	7.6
69.03416	5.6
69.07085	3.3
69.84611	4.7
69.85028	12.6
71.43755	2.3
73.02919	4.3
79.05486	4.5
81.07057	8.7
85.02905	6.8
90.34260	2.2
91.03947	5.4
91.05454	4.0
93.07037	3.8
93.56422	2.7
95.08589	4.9
97.02889	6.4
104.28970	2.3
105.07030	2.7
107.08584	5.1
138.95123	2.5
164.26836	2.2
184.07436	2.4
247.33331	2.7
333.20514	4.5
430.20575	2.4
519.29370	11.7
829.50592	100.0
830.50476	8.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	829.6336
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03946	4.5
67.05499	86.6
69.07068	40.9
71.05001	6.3
71.53115	4.2
72.23433	2.4
79.05489	67.7
81.07053	85.4
83.04967	3.9
83.08625	20.8
85.06548	4.7
91.05473	52.4
93.07036	75.4
95.04956	8.2
95.08600	80.7
97.06513	5.2
97.10145	14.1
101.05965	3.0
105.07021	57.2
105.07687	3.6
107.08584	54.8
109.06538	4.8
109.10152	37.3
111.08080	4.5
111.11736	3.4
115.05418	3.7
117.07022	26.9
119.08569	53.6
121.10143	36.2
123.08057	6.9
123.11712	13.0
125.09628	5.7
128.06230	5.3
129.07008	26.6
131.08548	43.1
133.10123	32.3
135.11678	31.3
137.13225	3.2
141.07025	10.3
142.07744	4.0
143.08560	30.3
145.10123	46.1
147.11667	23.4
149.13245	17.3
155.08525	20.2
156.09393	5.0
156.53256	2.7
157.10112	30.5
159.11668	31.0
161.13231	15.4
163.14848	6.5
167.08591	9.2
169.10141	18.2
170.10956	2.9
171.11687	30.6
173.13240	18.7
175.14838	9.6
179.08636	7.8
181.10133	16.1
182.10959	2.8
183.11655	19.7
185.13261	19.5
187.14877	7.4
193.10094	8.9
195.11702	17.2
197.13231	18.8
199.14882	13.6
201.16371	6.2
207.11749	10.7
207.13614	2.7
209.13303	18.8
209.15222	4.1
211.14861	11.3
213.16440	7.6
215.18001	3.1
219.11678	5.5
221.13312	9.3
221.15414	4.0
223.14787	8.2
225.16463	8.9
227.17949	4.2
229.19670	2.7
233.13292	5.7
235.14864	7.7
235.16971	3.9
237.16403	6.5
239.17963	4.8
249.16295	4.4
251.20175	3.0
263.20111	5.3
265.19427	3.7
275.20126	4.4
277.21701	38.3
287.20157	3.1
301.21851	3.7
313.21799	3.9
325.22147	3.5
327.23199	4.2
329.24850	4.6
345.28152	5.7
355.26392	4.9
357.28052	9.7
359.29370	5.1
369.27896	8.4
371.29672	4.7
379.26001	3.1
383.29678	8.3
385.31061	5.0
393.28088	3.3
407.30048	3.2
445.33197	4.6
457.33011	7.9
459.34491	4.3
469.33325	3.3
471.34381	7.7
473.36438	3.5
475.35669	2.7
483.34674	3.8
551.40942	9.2
553.42456	6.3
613.46991	2.8
631.47778	4.0
733.81909	3.1
759.55762	5.2
775.59204	2.9
811.62421	5.0
829.63275	100.0
830.63275	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	824.5504
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02908	2.2
65.03914	3.8
67.05499	57.1
69.03404	2.3
69.07062	21.8
69.20020	0.9
69.97451	4.0
71.04973	2.6
71.08630	1.1
73.19876	0.8
79.05484	46.4
80.05807	1.0
81.03397	3.5
81.07048	100.0
82.07365	1.2
82.77723	0.8
83.04987	4.5
83.08607	12.6
85.02885	2.2
85.06527	3.4
91.05473	31.3
92.05848	1.1
93.07034	42.6
93.07637	2.0
95.04967	11.4
95.08597	40.6
96.94504	0.7
97.02884	0.9
97.06516	8.7
97.10155	2.9
99.08075	2.2
103.97945	0.8
104.86075	0.8
105.06301	1.5
105.07014	28.1
107.04942	6.2
107.07880	1.6
107.08582	24.7
109.05794	1.5
109.06504	20.2
109.10145	16.8
111.08061	2.8
115.05441	1.4
117.07001	8.9
119.07716	1.2
119.08572	22.1
121.06490	4.5
121.10130	21.1
123.08039	6.4
123.11686	7.5
125.09626	1.6
129.06993	2.5
131.08549	13.7
131.52670	1.0
133.10109	16.1
135.08073	4.3
135.11673	10.8
137.09572	4.2
137.13225	1.4
139.11160	1.4
143.08517	1.0
145.06439	1.0
145.10097	10.2
147.08005	0.9
147.11662	17.5
148.12029	0.9
149.09598	6.1
149.13235	6.8
151.11160	2.6
155.08536	1.7
157.10104	5.0
159.11679	8.4
161.09589	2.1
161.13228	4.4
163.11154	6.4
163.14806	3.2
165.12700	4.8
169.10054	1.8
171.11679	2.5
173.13239	5.5
175.11206	2.6
175.14833	2.1
177.12680	2.3
179.14246	1.2
183.11656	2.0
185.13118	1.5
187.11188	1.6
187.14792	2.4
191.14272	1.4
193.12225	2.0
197.13234	1.8
207.13759	1.0
211.14934	1.1
219.17389	1.0
229.19548	2.0
239.17952	1.8
243.21097	2.4
247.20541	3.3
257.18909	4.3
259.20486	1.5
261.05276	0.9
261.22046	5.4
267.15930	2.1
275.20029	54.4
276.20355	3.6
277.21576	1.2
293.21048	18.9
317.24481	1.4
335.25769	82.4
336.26135	5.0
348.34311	1.0
349.23727	23.1
350.23840	1.9
367.24756	47.0
368.25272	4.2
452.94412	0.9
510.91440	0.8
535.41382	2.0
553.42328	2.2
574.14807	0.8
609.45099	41.5
610.45422	6.6
627.46088	52.3
628.46484	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	822.3687
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07071	8.5
58.06587	1.4
65.03933	7.6
69.40656	1.1
70.06585	27.2
71.08602	1.6
71.52782	1.8
71.53150	1.2
85.10169	1.3
87.27306	1.0
88.07620	32.5
88.08164	1.7
97.34800	0.9
98.69440	1.1
102.09167	20.2
102.09805	1.5
105.03378	1.3
121.02872	2.3
133.02859	1.6
139.03873	2.2
147.04459	1.2
149.02328	100.0
149.03381	7.5
150.02686	2.6
162.02666	1.1
175.03958	3.5
177.05527	1.8
191.07054	1.3
193.04938	48.6
219.06572	3.2
228.23199	81.1
229.23616	1.6
237.07504	10.6
269.04593	2.0
272.25891	1.4
297.04001	1.6
309.93082	1.2
313.07126	1.3
341.06683	4.5
343.08017	1.5
359.07782	1.7
385.09155	7.8
429.11612	1.9
463.04062	1.3
489.78381	1.1
533.11298	1.1
534.62506	1.2
577.13452	7.6
621.15826	15.4
822.36896	87.4
823.37042	10.6
838.22577	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	823.4309
Annotation	Unknow
Peak:m/z	Relative Intensity
60.44415	0.6
61.02921	71.6
65.03933	1.3
67.05498	27.6
69.03423	24.8
69.03745	0.4
69.03816	0.8
69.07060	10.9
71.01349	2.7
71.04989	5.3
71.08624	1.2
73.02908	22.8
75.04464	1.8
79.05485	11.2
81.03412	22.3
81.03802	0.4
81.07047	29.9
82.07382	0.5
83.01357	0.8
83.04972	4.5
83.08616	7.6
85.02896	100.0
85.06545	1.4
86.03217	0.8
87.04453	3.0
91.03946	56.9
91.05468	7.9
92.04278	0.7
93.05507	0.6
93.07031	10.5
95.04963	2.9
95.07978	1.2
95.08595	26.1
97.02881	68.2
97.06518	2.5
97.10175	4.0
98.03235	0.8
99.04436	11.9
99.08092	1.3
101.02361	6.1
103.03931	11.4
105.07021	6.3
107.04951	1.3
107.08580	7.3
109.02873	13.7
109.06515	1.4
109.10152	11.3
111.04451	2.7
111.08076	1.1
111.11716	1.1
113.06005	0.6
115.03928	5.6
117.05515	3.3
117.06998	1.7
119.08573	4.8
121.06540	0.9
121.10149	5.4
123.08111	0.8
123.11693	5.5
125.09640	0.7
127.03907	37.0
128.04192	0.7
129.05461	4.5
129.06960	1.5
131.08554	2.3
133.10124	5.9
135.08018	0.7
135.11694	3.8
137.06041	0.7
137.13248	2.2
139.11244	0.9
141.05388	1.0
143.08627	0.8
145.04947	31.6
145.10092	1.4
146.05347	0.7
147.06543	0.8
147.11620	3.6
149.02368	0.7
149.13242	2.9
151.11192	1.0
151.14792	1.4
155.07019	0.7
157.10104	0.6
159.06575	3.2
159.07851	0.6
159.11708	1.2
161.09660	0.6
161.13251	3.7
163.05998	20.7
163.11218	0.7
163.14821	3.0
165.16429	1.2
169.10085	0.7
171.06557	2.7
171.07910	0.7
171.11769	0.6
173.04433	0.6
173.13210	1.2
175.14827	3.6
177.12756	0.7
177.16400	0.8
181.06920	0.7
181.12306	0.6
183.06526	12.0
185.13258	1.1
187.05988	0.8
187.14832	1.5
189.12703	0.8
189.16382	1.6
199.14915	0.9
201.07579	9.5
201.16518	0.7
216.98222	0.7
219.08685	2.5
243.20967	1.0
245.22609	8.8
246.23016	0.8
261.22104	1.6
263.23666	14.0
263.26233	1.1
275.23880	0.8
287.23734	1.2
291.23190	0.7
293.24579	0.7
299.23724	1.1
301.25238	1.1
303.23172	1.1
305.24838	2.5
311.23615	0.7
315.23264	0.8
317.24747	2.1
329.24753	2.6
335.25958	0.8
337.27335	63.0
338.27606	3.3
341.24908	0.8
343.26520	1.9
347.25821	2.5
353.24869	2.4
365.26917	4.0
371.25827	4.0
377.26663	1.0
379.28271	3.0
389.26889	2.4
391.28421	1.5
407.27850	2.8
421.29596	2.8
427.28436	1.2
433.29172	1.3
445.29431	6.9
463.30481	6.0
481.31610	13.4
482.32065	1.2
499.32294	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	821.4152
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	19.1
57.07072	1.3
59.05005	0.9
61.02919	76.5
65.03941	2.1
67.05498	29.1
69.03421	26.9
69.07060	7.8
70.06588	0.5
70.76904	0.5
71.01357	3.2
71.04980	3.9
73.02911	22.7
75.04478	1.7
79.05486	17.9
81.02924	0.9
81.03408	22.0
81.07047	29.9
83.01346	1.4
83.04974	4.2
83.08605	3.0
85.02896	100.0
85.06541	0.9
86.03226	0.6
87.04470	3.0
88.07615	0.9
91.03944	55.4
91.05469	12.8
91.06017	0.9
93.05507	0.5
93.07031	22.6
95.04971	4.1
95.07976	0.8
95.08598	21.3
97.02881	71.4
97.06532	2.0
97.10171	1.5
98.03175	0.7
98.21595	0.6
99.00826	0.5
99.04438	12.7
99.08060	0.8
101.02357	5.2
103.03933	8.8
103.05456	0.5
105.07018	9.9
107.04948	1.8
107.08584	11.3
107.66406	0.4
109.02863	13.0
109.06515	2.2
109.10143	11.4
111.04430	2.9
111.08116	0.5
115.03903	6.6
115.05431	1.0
116.06298	0.5
117.05492	2.0
117.06997	6.0
119.04936	0.5
119.07794	0.9
119.08568	9.0
121.06483	1.0
121.10131	12.2
123.04411	1.2
123.08101	0.8
123.11675	4.2
125.09653	0.8
126.03252	0.6
127.03903	35.8
128.06123	0.7
129.05458	4.5
129.06992	1.9
130.07745	0.7
131.08553	8.4
132.20844	0.5
133.06477	0.6
133.10097	6.7
135.08063	1.2
135.11684	8.4
137.05914	1.0
137.09547	1.3
137.13225	1.8
139.03932	0.9
139.11177	0.8
141.05391	1.0
141.07005	0.6
143.08536	1.8
145.04941	32.5
145.10104	5.8
147.08014	0.8
147.11653	5.5
149.02296	1.9
149.09579	1.3
149.13246	5.7
151.11163	1.0
155.07016	1.3
155.08545	0.9
157.10100	1.2
159.06483	2.0
159.11696	5.6
161.09663	0.6
161.13217	4.6
163.06007	18.5
163.14810	2.9
165.12732	0.6
169.05046	0.9
169.10106	0.9
171.06516	2.8
171.07858	0.7
171.11676	1.8
173.04510	0.7
173.13268	5.2
175.11137	0.6
175.14806	1.9
177.12714	1.1
177.16306	1.1
179.14316	0.6
181.07063	0.6
183.06516	9.3
183.11681	1.3
185.13289	1.7
187.11063	1.0
187.14821	3.2
189.12740	0.6
193.04948	0.7
197.09529	0.6
197.13164	1.1
199.14806	1.7
201.07545	5.7
201.12727	0.8
201.16333	0.9
205.15810	0.7
209.13261	0.6
211.14766	0.6
213.16383	0.5
215.17928	0.5
219.08543	1.0
219.17302	0.5
223.14867	0.8
228.23145	1.5
229.12041	0.5
241.19418	0.8
243.14023	0.7
243.21082	4.1
247.17024	0.5
259.20490	1.7
261.19406	1.0
261.22113	15.1
271.08139	0.8
273.22086	0.7
277.21622	1.2
279.23114	1.2
285.22049	1.4
289.21719	1.0
291.23108	0.8
299.23447	0.5
301.21512	1.0
302.37683	0.6
303.23190	3.3
313.21396	0.7
315.23080	1.4
317.24661	1.5
323.23657	0.8
327.23038	1.7
333.24454	0.7
335.25757	48.0
336.26151	0.9
341.24594	1.2
345.24002	1.5
351.22925	2.3
353.26587	1.3
357.24323	0.7
359.25955	0.6
363.25128	2.5
369.24164	3.7
377.26801	3.1
387.25208	2.2
389.26587	1.3
405.25906	1.9
419.27759	1.5
431.27710	0.7
443.27893	4.3
461.28815	3.5
479.29990	8.1
497.30664	2.8
822.35492	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	818.3958
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03415	0.5
57.53178	0.3
63.02369	0.4
65.03927	0.6
68.05034	0.8
69.03423	2.2
70.06584	100.0
71.06918	1.0
72.08126	0.3
75.35564	0.3
77.03926	0.4
78.04721	0.4
79.05500	0.3
80.05037	0.3
81.03404	2.7
81.95771	0.3
82.03758	0.4
82.40530	0.3
84.08134	0.6
84.64476	0.3
85.02905	3.3
85.10222	0.3
86.09698	17.7
89.03905	3.2
90.04247	0.7
91.04895	0.8
91.05466	16.0
93.07044	2.5
95.04953	0.8
97.02913	0.7
97.07645	2.0
98.06046	3.0
103.05443	2.5
105.03391	1.5
105.06993	0.5
106.04178	0.4
107.04961	3.2
109.02910	1.3
109.06540	0.3
109.07626	1.1
111.04298	0.6
114.05546	0.8
115.08691	2.2
117.03364	10.3
117.04137	0.6
117.05720	0.7
118.03698	2.9
118.06526	11.5
119.04932	6.2
119.07306	1.6
120.08091	6.4
121.06491	27.2
122.06847	0.8
124.08792	0.3
125.07104	3.0
126.05487	0.7
127.03929	0.9
129.10306	0.4
130.06546	1.6
131.04947	0.8
132.08073	0.4
134.03633	0.8
135.04407	0.8
136.07561	37.5
137.06061	0.4
137.07072	9.1
138.07985	0.6
138.09108	3.4
144.08125	0.3
145.02826	24.6
146.03178	7.0
146.05986	32.8
147.04388	2.9
147.06302	0.5
148.07597	0.6
149.05977	3.2
150.06363	1.1
152.08186	1.2
153.01857	0.8
153.08942	6.6
155.08241	0.4
158.06041	0.4
161.05949	0.6
165.09181	0.3
169.10117	0.4
170.09677	0.4
172.11192	15.5
174.05518	0.9
174.12837	1.0
177.05449	50.1
178.05785	18.1
178.08376	0.3
179.05981	0.9
181.09897	0.9
186.05478	0.7
187.12340	1.3
188.10741	0.5
188.14343	1.1
193.10136	0.7
195.06517	0.8
199.12282	1.8
203.11781	0.5
208.11339	0.4
209.09621	0.5
215.11855	0.9
216.12523	3.6
217.04855	0.3
217.13326	4.1
220.15445	0.3
221.09593	11.8
221.11703	0.7
224.10776	0.5
225.10213	1.8
226.12186	2.6
227.11821	0.6
229.05028	0.5
229.65886	0.4
231.11383	0.6
231.14893	5.6
233.12822	5.4
236.10678	0.7
238.12262	4.9
243.11292	3.3
243.14990	1.1
246.04987	0.4
251.17493	3.5
254.12892	1.4
259.14401	25.5
260.14316	0.4
261.12338	6.0
264.10065	0.4
266.11624	0.5
267.15030	0.4
274.04590	0.7
277.15430	4.4
282.12372	0.5
285.03778	0.6
298.12796	4.9
300.13379	0.5
302.04248	1.5
303.04520	0.6
311.13931	0.5
317.06509	10.6
318.06866	7.0
319.07135	0.6
321.09570	1.9
322.10013	1.2
322.17978	0.7
339.10907	1.6
339.20615	2.0
340.11087	1.4
351.20551	2.0
360.08133	0.4
360.17026	0.9
362.18628	3.2
368.23181	0.8
380.19638	0.8
388.16544	1.4
395.18085	4.1
396.22757	6.0
406.17557	25.7
407.17877	1.0
423.17709	2.2
424.22424	2.8
465.28735	1.2
475.26712	0.5
493.28024	11.0
494.28625	0.6
519.25995	0.7
524.23694	1.3
550.22058	0.5
568.22839	13.2
569.23004	0.8
638.33984	0.5
639.31604	0.4
640.21143	0.4
656.34320	44.1
657.34863	3.4
698.35052	0.9
818.39685	7.3
819.39197	0.5
831.26385	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	817.2169
Annotation	Unknow
Peak:m/z	Relative Intensity
60.38414	0.5
61.94354	0.4
63.02349	0.7
69.03410	1.7
69.34212	3.4
69.66041	0.4
70.06585	3.4
71.04977	0.5
72.08137	0.7
74.09870	0.4
79.05474	0.5
81.03061	0.4
81.03416	3.9
81.07086	0.4
81.98486	0.4
84.08121	1.2
85.02900	1.6
86.09698	1.2
89.03909	6.5
91.05445	1.1
93.03406	0.5
93.07034	0.6
95.05006	0.5
95.08585	0.4
97.02882	0.8
99.21693	0.4
99.28529	0.4
105.06976	0.5
109.02865	1.6
109.10081	0.4
117.03368	19.7
121.06496	0.6
121.10104	0.5
127.03883	1.2
129.10249	0.9
134.03615	1.4
135.04382	1.3
136.07603	0.6
137.05984	0.6
145.02829	50.3
146.03163	0.9
149.05963	7.8
151.03891	0.5
153.01781	1.8
163.03763	0.5
167.07001	0.7
177.05452	100.0
178.05801	2.8
186.05476	1.7
195.06541	1.0
200.77327	0.4
201.05528	0.6
207.06569	0.6
229.04980	0.6
257.04477	0.6
274.04688	1.0
285.03845	1.0
302.04086	3.6
317.06519	25.6
318.06696	0.5
321.09680	5.9
339.10770	5.1
359.07465	0.8
591.76422	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	817.2172
Annotation	Unknow
Peak:m/z	Relative Intensity
62.01576	0.1
63.02336	0.6
65.03936	0.2
69.03419	1.5
69.73022	0.7
70.06580	1.4
71.05002	0.1
71.67699	0.1
72.08134	0.3
73.02881	0.1
78.04704	0.4
79.05450	0.1
81.03408	3.5
84.08121	0.2
85.02898	1.4
86.09686	0.4
89.03904	6.6
90.04217	0.2
91.05482	0.5
92.02634	0.2
93.03390	0.2
93.07031	0.2
95.04958	0.2
97.02864	0.4
98.06033	0.1
99.04449	0.4
103.05455	0.4
106.04153	0.3
109.02862	1.2
117.03363	19.3
119.04941	0.2
121.02873	0.2
121.06482	0.3
124.05188	0.2
125.07108	0.1
127.03883	0.6
129.10216	0.1
130.06454	0.1
134.03612	1.6
135.04405	1.4
136.07568	0.4
138.36533	0.1
139.03856	0.2
145.02823	49.9
146.03151	1.0
146.06007	0.2
147.04349	0.3
149.05957	6.8
151.03885	0.3
153.01814	1.8
158.05968	0.2
162.03096	0.2
163.03865	0.7
165.01793	0.1
177.05443	100.0
178.05785	1.9
186.05467	1.3
195.06477	1.4
205.08264	0.1
207.06538	0.1
217.04996	0.2
228.04114	0.3
229.04941	0.9
237.99588	0.1
245.04405	0.3
246.05142	0.5
257.04309	0.8
259.14243	0.2
273.03839	0.4
274.04745	1.3
279.08530	0.1
285.03873	1.2
302.04181	3.5
317.06512	26.4
318.06778	0.8
321.09628	5.4
322.09943	0.1
329.06470	0.3
339.10715	5.1
359.07629	1.1
461.10779	0.2
479.11932	0.4
513.65356	0.1
656.34277	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	815.2745
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03423	0.8
61.02907	0.7
63.99380	0.4
65.03936	11.6
67.05491	1.9
68.99761	0.6
69.03415	4.6
69.32094	4.4
70.06580	3.9
71.04976	0.8
72.08155	0.7
73.02895	0.9
75.15220	0.5
78.04701	1.0
79.05476	3.6
81.03408	5.2
81.07053	0.6
82.04179	2.4
84.08148	1.0
85.02900	8.8
86.09680	1.0
87.00812	3.1
89.03923	0.8
91.05468	6.8
93.03403	3.2
94.04179	0.9
95.01308	2.8
95.04951	3.1
97.02847	2.7
97.06516	0.7
98.21513	1.0
99.04443	1.4
103.03931	1.4
103.05454	4.1
105.01847	1.2
105.03395	0.6
105.04459	0.5
105.07018	5.6
107.04954	5.8
108.02103	1.5
108.05685	0.5
109.02849	3.9
110.03661	14.1
111.04428	20.6
115.05450	3.7
117.03372	1.0
117.07003	1.6
118.04157	1.8
119.04942	4.7
119.08549	1.9
121.06504	1.8
122.03679	1.5
123.04416	3.5
124.05187	1.7
125.05980	16.5
127.03913	4.0
128.06216	2.6
129.01816	0.7
129.06972	3.0
130.04182	0.9
131.04907	5.6
132.05667	1.2
133.02847	3.4
133.06488	3.5
134.03587	1.3
135.04378	1.5
136.05170	1.4
137.05960	8.4
138.03084	1.7
141.06886	0.8
143.04895	0.6
144.05717	1.2
145.04939	0.7
145.06418	2.5
146.03577	0.9
146.07285	0.5
147.04391	6.2
147.08026	2.5
148.05136	0.7
149.05957	2.2
151.03905	1.7
151.07524	1.6
152.04704	1.0
153.05452	66.9
155.04965	1.2
156.05698	1.1
157.06531	0.7
158.53497	0.5
159.02885	1.3
159.04324	1.3
159.08022	5.9
159.09230	0.7
160.05196	1.8
161.05966	5.6
162.06776	0.8
163.03867	0.7
163.07585	3.0
165.05452	1.7
165.06929	1.2
167.07024	30.2
168.05685	0.7
169.06525	0.8
171.04407	1.7
171.07881	0.6
172.05168	1.4
173.05984	1.1
174.06691	0.7
175.07529	9.1
176.04649	1.7
177.05501	4.8
177.06960	0.9
178.07765	1.3
179.07014	4.6
179.08430	1.0
181.04915	0.7
181.06429	1.4
181.08476	0.5
182.21075	0.5
184.05150	1.2
185.05966	2.2
186.06685	3.5
187.07536	8.2
189.03929	1.2
189.05447	4.2
189.07005	1.5
189.09012	0.8
190.07697	2.9
191.06996	7.7
191.08578	4.4
192.04095	0.6
193.06512	1.2
193.08260	0.5
194.07239	1.2
195.08083	1.3
197.06001	0.7
198.06741	1.2
199.07501	4.6
201.05382	0.7
202.07727	3.8
203.06982	1.8
203.08585	4.2
204.09244	0.8
205.06543	3.3
206.07294	2.6
207.06432	1.4
207.08087	2.7
208.08792	0.7
209.06067	0.6
213.05734	0.6
214.06151	1.1
215.06845	2.4
215.08632	1.4
216.05843	0.6
216.07765	7.5
217.06462	1.2
218.07263	4.1
219.08051	9.6
220.08823	4.4
221.06073	2.6
221.09610	4.0
222.06741	1.4
223.07542	1.5
223.11053	0.8
225.09084	0.7
229.08536	8.6
230.07217	0.8
231.08060	4.5
232.08844	1.5
233.06184	2.8
233.09868	3.0
234.06761	3.6
234.10286	0.7
235.07501	7.2
235.11156	0.8
236.08292	5.9
237.08995	3.0
238.06331	0.6
239.06883	0.7
245.05966	1.9
246.06778	2.9
247.07497	7.6
248.08328	5.9
249.05472	1.6
249.09105	7.4
250.06274	0.9
250.09886	1.6
251.07063	2.0
251.10635	11.9
253.08553	2.1
259.07562	2.7
260.08298	2.0
261.05490	2.6
261.09033	4.2
262.06262	1.7
262.09872	2.1
263.06979	4.5
263.10638	2.9
264.07773	9.7
265.08566	11.4
265.11615	0.7
266.09225	1.2
267.10318	0.7
273.05423	0.7
273.09073	1.0
274.06235	1.0
274.10004	0.6
275.07004	3.8
275.09778	0.6
276.07758	9.9
277.05484	1.0
277.08530	6.2
278.09293	4.4
279.06937	0.8
279.10071	8.3
280.07413	1.1
280.10815	1.7
281.08023	2.2
281.11655	2.9
288.07748	1.9
289.08533	3.7
290.09268	2.2
291.06677	1.4
291.10144	4.6
292.07309	2.4
292.10873	1.5
293.08054	7.0
293.11716	2.0
294.08813	1.4
295.09665	1.1
296.10477	1.2
301.08554	0.8
304.07312	2.0
305.08032	2.4
305.11258	0.9
306.08838	2.4
307.09607	34.8
308.10336	7.9
309.07947	0.8
309.11026	3.9
310.11908	0.6
311.12686	3.9
319.09570	9.5
320.10501	1.9
321.07651	1.1
321.11194	4.0
322.12076	1.0
323.09158	0.5
323.12674	7.9
324.09949	0.9
324.13370	0.7
325.14371	1.0
326.11627	0.7
336.10034	1.5
336.13623	0.6
337.10880	2.4
337.14258	0.7
338.11569	1.2
339.12241	100.0
340.12405	2.5
341.13800	7.1
351.12219	33.3
352.12888	1.0
353.13776	2.8
369.13083	2.4
441.87686	0.6
489.19113	0.9
499.17639	1.0
516.25568	0.5
652.97083	0.7
835.83990	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	815.2742
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03925	10.6
67.05485	2.8
68.99780	1.0
69.03418	5.0
69.07066	1.2
70.06592	7.8
71.52724	1.0
71.53094	1.0
72.08136	2.6
73.02927	1.2
78.04692	1.4
79.05480	4.8
80.61090	1.0
81.03409	4.1
82.04151	2.0
84.08142	2.4
85.02892	6.9
86.09689	3.7
87.00837	2.2
89.03915	1.2
91.05465	6.9
93.03394	3.6
95.01337	2.6
95.04961	3.0
95.08598	1.3
97.02888	2.6
99.04453	1.5
103.05460	5.0
105.01832	1.2
105.07014	7.0
106.04148	1.6
107.04930	7.6
108.02033	1.2
109.02858	4.0
109.10193	0.9
110.03001	1.0
110.03664	12.6
111.04427	20.7
115.05453	5.2
117.03352	1.2
117.07001	1.1
118.04098	1.0
119.04936	4.2
119.08592	1.6
120.08114	1.0
121.06458	2.0
122.03623	1.8
123.04408	4.4
124.05193	2.6
125.05981	13.7
127.03900	3.8
127.99644	0.8
128.06223	2.3
129.07018	4.3
129.10197	1.0
130.06412	0.9
131.04887	5.9
132.05684	1.7
133.02824	3.6
133.06451	5.1
134.03519	0.9
135.04349	1.2
136.07565	1.1
137.05959	10.1
138.03085	1.6
139.65295	0.8
143.04881	1.3
144.05722	0.9
145.06483	2.7
145.27005	1.0
147.04414	5.6
147.08049	1.5
149.05965	2.8
151.03938	0.9
151.07520	2.0
153.05449	81.3
155.04858	1.4
156.05760	1.0
159.02881	1.6
159.08044	5.0
160.05193	1.6
161.05881	5.7
162.06779	1.0
163.07513	2.7
165.05557	1.4
165.06985	2.1
167.07021	40.7
171.04414	1.1
171.08034	1.4
172.05186	1.6
175.07524	9.7
177.05460	4.5
178.07753	2.4
179.06982	3.3
179.08400	1.4
184.05252	1.1
185.05995	2.9
186.06714	3.6
187.07495	9.5
189.03960	1.7
189.05446	4.1
189.06955	2.1
189.08963	1.1
190.07739	2.7
191.06999	11.0
191.08556	3.8
193.06311	0.9
194.07245	1.6
198.06738	1.5
199.07518	7.5
202.07814	3.3
203.06863	1.5
203.08517	3.2
205.06516	3.7
205.10149	0.9
206.07306	2.9
207.06461	2.4
207.08090	2.9
208.08789	1.8
215.06967	2.4
215.08717	1.9
216.07722	7.9
217.06509	1.6
218.07196	5.2
219.08052	9.4
220.08817	4.2
221.05878	2.7
221.09529	3.3
223.07629	0.9
223.11104	0.8
229.06471	1.8
229.08548	8.2
231.07962	5.1
232.08746	1.8
233.05904	2.9
233.09619	3.5
234.06721	5.0
235.07501	6.0
236.08353	5.0
237.09088	2.5
243.07986	1.3
245.05949	1.2
246.06789	3.4
247.07454	6.0
248.08235	5.6
249.09016	6.6
250.06255	1.2
250.09807	2.5
251.07059	2.2
251.10632	13.4
253.08592	1.5
259.07452	3.0
260.08395	2.2
261.05457	3.2
261.09048	4.5
262.06265	2.8
262.09924	1.7
263.07019	5.4
263.10605	2.9
264.07776	8.9
265.08578	10.4
266.09323	1.1
273.05533	1.2
273.08945	1.0
274.06216	1.5
275.06931	4.0
276.07758	13.5
277.08566	8.4
278.06403	1.2
278.09204	5.2
279.06854	1.7
279.10074	9.4
281.11713	3.0
288.07739	2.6
289.05283	1.6
289.08517	5.7
290.09451	2.2
291.06879	1.6
291.10077	5.6
292.07245	2.3
292.10757	1.9
293.08041	5.9
293.11728	3.4
294.08792	2.1
295.09631	1.6
301.08475	1.5
304.07239	2.5
305.08008	3.9
305.11182	1.0
306.08945	1.9
307.09613	40.4
308.10266	10.2
309.11154	7.5
311.12747	2.7
319.09576	13.7
320.10266	2.9
321.11121	4.7
323.12741	8.6
324.09839	1.4
326.11496	1.0
336.09848	1.6
336.13660	1.0
337.10620	2.4
337.14362	1.6
338.11285	0.9
339.12231	100.0
340.12671	4.2
341.13757	10.3
351.12247	37.1
352.13080	1.8
353.13809	4.0
369.13287	4.2
499.17548	2.1
501.18774	1.2
789.08472	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	803.3601
Annotation	Unknow
Peak:m/z	Relative Intensity
60.04521	9.1
60.81078	0.3
68.05016	0.7
69.03422	0.7
69.07069	0.7
69.78608	1.6
70.06585	100.0
71.06940	0.3
71.93594	0.3
79.64169	0.3
83.04913	0.5
84.08148	0.4
85.02914	1.0
86.09698	25.7
91.05466	6.8
95.06114	0.3
97.07642	1.0
98.06025	0.8
103.05457	1.8
105.03397	1.0
105.07056	0.4
106.06545	1.7
107.04970	0.6
107.23428	0.3
109.07655	0.8
111.04314	1.6
115.08678	1.5
116.04944	0.4
117.05705	0.7
118.06528	17.6
119.04922	1.6
119.07342	0.4
120.08095	8.0
124.08714	0.5
125.03482	0.3
125.07111	1.8
126.05524	0.3
127.08674	0.3
130.06522	0.7
131.04916	0.7
132.04445	0.5
132.08086	0.5
134.06004	3.5
136.07584	5.1
136.08578	0.5
137.07083	8.7
138.07852	2.2
139.08669	1.3
141.10249	0.8
143.08461	0.3
145.02907	0.4
146.05991	35.1
147.06401	0.5
148.07597	0.5
152.08156	3.0
153.01833	0.4
153.08949	10.2
153.10172	0.6
155.08269	0.8
157.09715	21.7
161.13260	0.3
162.05499	1.6
163.03897	0.7
164.07013	0.7
164.08244	0.3
165.08995	1.1
167.08229	0.9
168.09021	1.0
170.09631	0.4
172.11127	1.9
174.05450	1.4
174.12781	0.6
177.05411	0.4
179.08530	0.3
183.10072	0.6
184.10878	1.2
185.07521	0.4
185.09203	9.1
187.12315	1.9
188.03415	0.4
188.14343	1.0
194.09322	0.5
195.07733	0.3
197.07143	0.4
197.10809	1.1
199.12268	1.4
202.12033	0.8
204.13860	0.5
207.08151	0.7
212.11879	0.8
213.10277	0.6
214.13394	0.4
215.11870	0.9
217.13335	2.6
224.10396	2.5
225.10205	1.5
226.13458	0.9
230.11758	1.5
231.07732	0.4
231.14885	7.1
236.10568	1.4
240.11443	0.4
241.09706	0.4
243.11319	0.9
245.12874	0.5
247.14378	1.4
249.15974	1.9
253.13425	0.4
254.12837	2.4
254.15033	0.3
256.14404	1.5
258.12424	4.1
259.14404	20.7
266.12897	0.5
268.14548	0.9
275.13879	3.2
282.12485	1.3
284.11139	0.3
284.14075	1.2
286.10764	0.6
286.15469	8.8
293.14926	4.5
294.12411	1.4
300.13361	6.2
301.11911	0.8
301.14774	0.4
304.16650	1.2
310.10687	0.4
312.13419	3.1
317.06506	3.6
319.12906	1.8
330.14441	34.7
331.15112	2.2
333.05966	0.4
337.19208	1.0
349.19168	0.9
366.22009	0.6
394.21579	0.7
410.20822	0.4
425.21936	0.3
438.20520	1.6
443.23099	0.5
465.21649	0.4
491.19748	0.6
491.26749	1.7
509.20288	1.1
550.31128	0.3
560.28613	0.3
578.29651	19.5
579.29840	0.5
605.26880	0.3
605.37933	0.3
619.27246	0.7
622.28638	6.2
716.32593	0.7
759.05212	0.3
783.58514	0.3
803.36133	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	801.2227
Annotation	Isorhamnetin 3-(3'''-ferulylrobinobioside)
Peak:m/z	Relative Intensity
57.03426	0.5
60.97451	0.2
63.02383	0.5
69.03419	1.4
69.32147	1.3
69.32573	1.2
70.06574	1.8
71.04986	4.3
72.08168	0.3
73.02918	0.3
81.03421	2.0
83.04950	0.5
84.08144	0.5
85.02898	5.1
85.91208	0.2
86.09689	0.7
89.03907	5.0
91.05468	0.7
93.07032	0.3
95.04969	0.6
96.52422	0.3
97.02891	0.7
103.05457	0.3
109.02861	1.1
109.10133	0.3
110.07131	0.3
111.04490	0.3
117.03368	15.7
119.08562	0.3
121.06541	0.3
122.60986	0.3
124.05274	0.4
127.03918	0.7
129.05484	0.8
129.10226	0.4
134.03596	1.4
135.04408	1.1
137.05966	0.4
145.02832	44.1
146.03175	1.1
149.05968	6.0
151.03877	0.4
153.01814	1.1
158.06102	0.3
163.03897	0.8
165.09167	0.3
167.06987	0.3
174.15807	0.3
177.05452	100.0
178.05829	1.9
186.05513	1.8
195.06525	1.5
229.04843	0.6
250.88129	0.3
257.04465	0.3
273.03760	0.5
274.04703	0.6
285.03888	1.0
287.09109	0.4
302.04239	2.1
305.10056	0.3
317.06525	18.0
318.06915	0.4
321.09705	4.0
323.11160	0.5
339.10690	4.5
359.07553	1.1
801.27893	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	794.3372
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05017	0.7
57.07065	8.2
58.06590	3.5
60.30627	0.7
65.03932	7.0
70.06583	27.6
70.42995	2.9
71.08636	5.4
72.08148	0.9
84.08112	0.8
86.09692	0.7
88.07619	30.8
88.37176	0.7
93.03392	0.7
95.04961	0.8
101.24080	0.7
102.09174	21.6
112.07375	0.7
119.08624	0.8
121.02864	3.0
131.04970	1.1
139.03873	2.4
147.04390	2.0
149.02327	100.0
149.03391	5.7
150.02660	1.4
156.17448	1.2
175.03899	3.0
177.05510	2.5
193.03049	0.9
193.03580	0.8
193.04939	55.9
200.20074	80.4
201.20404	1.9
219.06552	2.4
237.07532	11.4
244.22809	1.5
292.32285	0.8
297.03833	1.1
313.06976	1.1
341.06549	4.6
359.07645	1.9
385.09143	8.7
413.46317	0.7
426.79803	0.9
429.11890	2.4
577.13379	8.7
578.13202	0.8
584.28729	1.4
621.15973	16.7
768.64478	0.9
776.32117	2.8
783.27820	0.9
794.33655	88.4
795.33759	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	797.5164
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	2.5
57.16154	1.1
59.04323	1.2
61.02916	6.3
67.05512	6.3
68.89774	1.1
69.03423	2.5
70.46108	4.7
73.02914	3.3
73.69781	1.1
74.11871	1.0
79.05495	3.1
81.03429	1.3
81.07036	5.9
85.02903	6.5
87.04478	1.3
91.03945	3.4
91.05465	1.6
93.07042	4.6
95.08608	4.3
97.02888	5.5
98.21415	1.5
99.04467	1.6
101.02365	3.1
107.08540	2.5
109.02859	2.1
109.10150	1.6
119.08581	1.5
120.80264	1.1
121.10142	2.4
127.03912	1.5
134.66525	1.2
185.04163	1.2
195.70732	1.2
243.08310	1.2
335.25964	1.5
519.29340	13.2
736.31012	1.6
797.51611	100.0
798.52008	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	801.2226
Annotation	Isorhamnetin 3-(3'''-ferulylrobinobioside)
Peak:m/z	Relative Intensity
57.03431	0.6
60.40444	0.2
62.01583	0.2
62.47030	0.2
63.02086	0.2
63.02389	0.6
65.59525	0.2
68.83528	0.2
69.03431	1.2
70.06590	0.4
71.04984	3.8
71.52464	0.1
71.52917	0.2
73.02894	0.2
75.04479	0.2
77.03928	0.2
78.04711	0.4
79.05476	0.3
81.03413	2.0
83.04964	0.7
84.08143	0.3
85.02900	4.6
85.04592	0.2
87.04450	0.2
89.03912	5.1
91.05460	0.5
93.03412	0.2
93.07049	0.3
95.04996	0.2
97.02915	0.4
99.04480	0.3
103.05443	0.3
106.04152	0.4
107.04921	0.2
107.08549	0.2
109.02863	0.9
111.04438	0.4
117.03368	15.6
118.03725	0.2
121.02859	0.1
124.05191	0.2
127.03914	0.7
129.05440	1.0
131.04895	0.2
133.02806	0.2
134.03647	1.1
135.04416	1.5
136.07564	0.2
137.05951	0.6
139.03880	0.3
145.02829	45.0
146.03178	0.7
147.04439	0.3
147.06415	0.2
149.05963	5.7
151.03883	0.4
153.01837	1.1
153.05402	0.2
158.06079	0.2
162.03085	0.3
163.03867	0.7
167.06995	0.3
172.39619	0.2
177.05450	100.0
178.05762	1.6
179.07045	0.2
186.05481	1.3
195.06491	1.5
217.04936	0.3
222.11241	0.2
227.31876	0.2
229.04919	0.7
246.05159	0.4
257.04456	0.3
273.03842	0.3
274.04688	0.8
285.03946	0.7
287.08997	0.2
302.04156	2.0
305.10141	0.5
315.04959	0.5
316.05878	0.3
317.06519	17.5
318.06888	0.5
321.09631	3.3
323.11142	0.6
329.06567	0.6
339.10727	4.3
343.76166	0.2
359.07602	2.3
427.10001	0.5
463.12009	0.3
473.80405	0.2
663.14130	0.2
711.06665	0.2
801.29218	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	787.2279
Annotation	Isorhamnetin 3-(4Rha-galactosylrobinobioside)
Peak:m/z	Relative Intensity
55.05494	0.4
57.03425	2.2
58.92586	0.2
59.04965	0.3
61.02909	0.9
66.70838	0.2
69.03420	2.1
69.17441	2.2
69.17866	1.3
70.06575	0.4
71.04603	0.6
71.04985	10.2
73.02901	0.7
75.04465	1.0
81.03390	0.9
83.04975	1.9
85.02898	20.7
87.04451	0.6
92.02592	0.4
93.03394	0.3
97.02876	2.1
98.21464	0.7
99.04422	0.4
109.02858	0.9
111.04408	0.9
121.02870	0.4
123.46342	0.3
126.03093	0.4
127.03890	1.8
129.05470	4.7
139.03885	1.1
145.04959	2.4
147.06499	2.3
151.03877	1.1
153.01808	5.2
163.03918	0.4
163.06058	0.4
165.01839	0.7
201.05447	0.6
217.05019	0.6
228.04182	0.9
229.04938	2.8
245.04495	0.4
246.05247	1.5
257.04483	1.9
260.03076	0.3
271.05902	0.3
273.03922	1.7
274.04639	3.6
274.68872	0.3
275.05203	0.3
285.03873	5.0
286.04617	0.3
286.62625	0.3
302.04169	11.7
303.04517	0.5
317.06528	100.0
318.06863	5.3
329.06488	0.9
359.07523	1.9
383.07385	0.4
427.10052	0.4
461.11148	0.4
463.12189	0.7
479.11768	3.0
520.97449	0.3
524.07648	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	792.5606
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01853	0.4
55.05505	12.8
57.03435	8.8
57.07076	2.3
61.02916	2.8
61.03188	0.5
65.03928	2.1
67.05498	51.7
68.05829	0.8
69.03407	0.8
69.07064	13.3
69.84770	1.9
71.04975	1.7
71.08632	0.6
72.77478	0.4
73.02917	0.7
79.05483	30.7
81.07048	51.3
83.04967	1.5
83.08613	6.1
85.02895	2.0
85.06533	1.6
91.03941	0.8
91.05473	18.1
91.47398	0.5
91.47961	0.5
93.07036	35.3
93.36501	0.4
95.04973	2.9
95.08598	37.8
97.02834	1.1
97.06503	1.9
97.10142	2.6
97.85012	0.4
98.21486	0.8
99.08074	1.0
105.04502	0.6
105.06305	0.7
105.07018	14.9
107.08579	21.9
109.06490	1.2
109.10145	19.5
111.08083	1.6
113.09660	0.6
115.05376	0.6
117.07020	5.2
119.08569	13.8
121.10130	18.0
123.08049	1.1
123.11702	7.2
125.09576	1.4
127.03920	0.5
129.06995	1.8
131.08554	10.1
133.10123	12.0
135.08034	0.5
135.11676	12.7
137.09633	0.7
137.13223	2.4
143.08559	1.0
145.10098	9.3
147.11665	10.5
149.09579	0.7
149.13252	8.1
151.14796	1.3
153.12758	0.5
155.08554	0.6
157.10127	1.3
159.11679	8.5
161.13246	8.0
163.14827	3.7
171.11708	2.2
173.13251	7.4
175.14832	3.4
177.12717	0.9
177.16336	1.5
179.14268	0.6
181.10173	0.6
185.13228	1.8
187.14812	3.3
189.16388	1.5
191.14282	0.8
197.13239	0.7
199.14859	1.0
201.16348	1.2
211.14841	0.7
213.16429	0.8
215.17850	0.8
217.19511	0.6
227.17981	0.6
231.21074	0.6
233.22603	0.6
241.19563	3.7
243.21072	5.6
259.20541	6.7
261.22137	17.7
263.23679	1.8
266.43558	0.6
279.23175	0.9
285.22189	0.7
299.23724	0.9
315.23056	1.3
317.24619	3.7
333.24188	5.2
335.25769	100.0
336.26120	3.5
337.27411	9.9
338.27850	0.5
353.26941	0.7
365.28665	0.6
503.42941	0.9
521.43396	2.1
539.44458	0.8
595.47131	14.2
596.47607	1.3
613.48157	9.4
665.80219	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	787.2276
Annotation	Isorhamnetin 3-(4Rha-galactosylrobinobioside)
Peak:m/z	Relative Intensity
55.01865	0.3
55.05494	0.4
56.66362	0.2
57.03204	0.2
57.03434	2.3
61.02916	1.8
68.99779	0.2
69.03426	2.2
69.78911	1.1
71.04986	11.7
73.02914	1.0
75.04446	0.8
81.03404	0.8
83.04987	2.0
85.02897	21.7
87.04443	0.4
91.03949	1.3
92.02606	0.5
93.03390	0.6
95.04945	0.2
97.02884	2.2
99.04417	0.6
103.03887	0.3
107.52431	0.2
109.02860	0.5
111.00797	0.4
111.04431	1.6
121.02834	0.9
123.25452	0.2
126.03085	0.3
127.03908	2.0
129.05458	6.1
139.03874	0.9
145.04932	2.4
147.06505	2.9
151.03882	0.9
153.01813	4.6
163.05939	0.6
165.01831	0.5
171.19566	0.2
177.05435	0.3
183.02892	0.3
183.04456	0.3
201.05424	0.4
203.03563	0.3
217.04958	0.5
218.03696	0.3
218.05690	0.4
228.04167	0.6
229.04942	2.3
235.51871	0.2
245.04486	0.5
246.05193	0.9
255.08659	0.5
256.03668	0.3
257.04443	2.3
271.06067	0.3
273.03915	1.5
274.04715	3.8
279.85703	0.2
284.03101	0.4
285.03900	3.6
286.04337	0.3
302.04190	11.2
303.04413	0.4
314.04068	0.2
315.05017	0.4
316.05508	0.2
317.06522	100.0
318.06866	4.2
329.06473	1.5
333.06009	0.4
341.06525	0.6
359.07599	2.5
369.37430	0.2
383.03165	0.2
383.07330	1.1
427.10236	0.7
445.11099	0.9
461.10980	0.4
463.12366	1.5
479.11783	3.2
625.17767	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	786.411
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	6.6
55.05506	17.6
57.03426	5.1
57.07076	15.8
61.02909	2.2
62.03372	2.2
64.94355	2.0
67.05499	24.5
69.03424	26.5
69.07061	48.6
69.34243	22.7
70.06586	10.4
71.04969	4.6
71.08629	7.4
72.08134	3.2
73.02908	2.6
79.05487	12.9
81.03406	10.4
81.07050	64.3
82.07394	2.5
82.29620	2.2
83.04984	2.5
83.08614	24.3
84.08121	3.7
85.02437	3.9
85.02902	52.9
86.09694	4.8
87.00819	26.9
87.04453	2.7
91.05493	11.2
93.07037	30.4
95.04973	9.5
95.08601	60.6
97.02879	17.1
97.06536	5.7
97.10146	13.8
98.20757	4.3
99.04442	8.1
103.01525	2.1
105.01861	42.7
105.07004	25.2
107.08591	47.1
108.08924	2.9
109.02882	11.4
109.06521	5.6
109.10153	54.5
110.10482	3.3
111.04424	18.6
111.08077	4.6
111.11713	6.6
113.02370	3.3
119.08567	25.1
120.09109	2.2
121.06493	7.0
121.10145	34.3
123.08084	4.6
123.11701	26.7
125.05991	15.1
125.09565	4.6
127.03914	41.4
131.08572	4.3
133.04330	2.4
133.10144	22.7
135.08057	11.1
135.11671	18.7
137.05983	3.4
137.09576	14.2
137.13210	17.9
138.71994	2.3
139.07523	6.3
139.11174	3.5
143.08543	3.1
145.04942	13.1
145.10104	7.7
147.07997	4.3
147.11673	23.1
149.09610	7.7
149.13251	21.6
151.07533	3.5
151.11192	4.1
153.09113	9.2
157.10052	2.4
159.02934	4.6
159.11638	5.6
161.09645	11.9
161.13252	9.2
163.11172	4.0
163.14824	6.6
164.07700	2.7
165.09163	2.7
165.16379	2.6
167.07051	5.2
167.10632	12.8
173.13245	2.8
175.11198	5.4
175.14783	6.3
177.05495	3.4
177.12802	5.5
177.16356	10.1
179.10684	10.9
181.12224	7.7
187.14732	2.5
189.16382	5.5
191.17984	3.4
193.12245	9.1
193.19499	7.1
195.13791	3.7
199.14873	2.7
203.17912	7.1
205.19534	6.2
207.13699	3.3
209.15417	2.8
209.19072	4.7
213.03954	3.7
221.15366	5.1
223.16971	6.8
231.04942	17.0
235.16924	6.0
245.22772	6.5
249.05980	19.8
249.18462	10.2
259.24182	21.0
269.22583	5.6
277.25226	8.0
287.23672	23.4
303.23148	7.2
304.23538	4.0
305.24719	100.0
321.24292	10.7
322.24478	8.4
323.25735	70.2
324.25845	2.8
341.26779	2.8
345.24261	3.0
347.38486	2.8
395.25858	4.0
413.26779	12.6
431.27908	3.0
449.28876	4.4
517.27838	3.0
535.29095	12.6
553.30206	11.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	784.395
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	11.6
55.05510	6.6
57.03416	1.3
57.07072	6.5
65.03925	1.4
67.05494	10.0
68.99818	1.1
69.03423	10.1
69.07062	21.8
69.17870	11.8
70.06577	4.2
71.04979	2.1
71.08622	1.5
73.02909	1.2
79.05479	11.9
81.03401	2.9
81.07047	24.3
83.04961	2.9
83.08612	12.7
85.02896	8.7
85.06547	2.9
86.09670	1.1
87.00826	5.0
91.05476	9.3
93.07029	18.0
95.04966	5.6
95.08591	21.3
97.02877	5.4
97.06528	7.8
97.10168	2.4
99.04427	1.5
102.97811	1.2
105.01872	5.5
105.07027	10.1
107.04948	1.4
107.08582	27.8
109.02834	3.2
109.06464	5.2
109.10148	29.9
111.04446	3.3
111.08075	6.9
111.11728	2.1
117.07018	3.3
119.08578	7.5
121.06487	6.3
121.10104	11.6
123.08092	2.4
123.11670	7.7
125.05981	29.6
125.09592	10.6
127.03885	5.4
131.08565	4.2
133.10095	7.4
135.08041	28.1
135.11687	7.9
137.09602	32.4
137.13203	5.3
143.07014	1.5
143.08568	1.4
145.04958	2.1
145.10126	6.2
147.08063	3.2
147.11696	3.5
149.09613	3.6
149.13239	9.7
153.09082	13.8
159.08047	10.9
159.11674	3.1
161.09592	5.5
161.13289	2.0
163.07494	2.8
163.11177	1.9
165.09093	3.5
167.06999	1.9
167.10709	1.8
167.14279	2.2
168.00803	1.5
171.10176	1.9
173.09613	3.7
173.13277	4.2
175.11130	1.7
175.14769	1.9
177.09108	2.1
177.12738	1.6
179.10629	1.4
181.08540	1.9
185.13361	1.3
187.11156	2.4
187.14781	3.2
191.10667	5.1
191.17931	7.0
197.11722	1.8
199.09526	2.4
201.12772	1.7
203.17902	1.4
207.17416	1.3
209.18987	14.8
211.14807	1.5
215.14420	1.6
219.13957	1.2
229.15944	1.7
231.05011	1.9
233.15356	1.8
243.21178	1.4
247.16930	3.4
249.06006	2.2
257.22598	2.5
262.42651	1.1
265.17889	2.3
267.20959	2.2
275.23755	1.7
285.22070	6.8
303.23148	78.0
304.23306	2.3
321.24210	100.0
322.24649	3.2
336.62906	1.2
339.21365	1.8
339.25290	26.3
620.01324	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	782.3799
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	6.2
55.05507	4.1
57.07045	3.8
60.24205	2.0
61.58807	1.7
67.05498	7.7
69.03417	10.3
69.07066	20.0
69.51861	11.2
69.52280	3.9
70.06588	2.4
71.04999	2.4
79.05486	8.7
80.58728	2.0
81.03401	4.5
81.07052	29.6
83.04991	4.8
83.08589	2.8
84.63673	2.1
85.02908	11.0
86.09682	3.2
87.00800	5.5
90.61569	2.4
91.05484	3.6
93.07040	13.9
95.04985	4.6
95.08594	18.5
97.02876	8.1
97.06542	11.6
97.10184	3.8
99.04430	4.5
105.01852	3.6
105.07007	14.0
107.08586	27.5
109.02871	4.1
109.06511	6.3
109.10152	20.0
111.04415	4.2
119.08548	15.4
121.06540	2.8
121.10144	16.2
121.41922	2.4
123.08077	6.2
123.11703	28.7
125.05999	10.0
125.09595	6.9
127.03918	7.5
131.08534	2.9
133.10126	21.2
135.08067	14.2
135.11670	7.2
137.09578	10.8
137.13199	2.2
139.11157	21.9
145.04971	2.4
145.10120	8.3
147.08063	3.4
147.11710	15.7
149.09613	2.7
149.13268	5.1
151.11137	2.8
153.09091	8.5
157.10101	2.8
159.08022	2.6
159.11699	3.9
161.09662	2.9
161.13286	4.4
163.07581	3.5
165.12869	3.8
165.46356	2.4
173.09653	2.7
173.13264	3.7
175.11165	4.6
175.14761	5.2
177.16420	3.6
184.07315	3.7
185.13324	3.6
187.14734	3.0
189.16391	7.6
191.10686	2.1
193.12294	5.7
199.14722	4.4
205.15941	2.3
207.17445	4.6
245.15410	4.6
255.21069	4.9
264.76550	2.1
280.32935	2.0
283.20435	2.5
291.23080	2.7
301.21591	23.2
301.24695	2.9
319.22653	97.1
337.23718	100.0
338.23969	2.4
362.54745	2.2
397.07980	2.1
467.02255	2.3
551.09827	2.1
567.27539	4.7
585.29504	2.3
620.36926	2.3
651.95105	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	773.5188
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	30.5
57.03436	11.9
61.02905	15.7
63.54919	8.1
67.05495	80.0
69.07073	18.1
69.33899	60.1
69.34304	17.9
72.15050	8.7
73.02904	9.9
74.75692	9.6
79.05484	62.9
80.80745	8.4
81.07048	57.2
83.08568	9.0
85.02912	15.7
91.05488	68.1
93.07027	64.7
95.08598	65.4
105.07038	53.0
107.08583	34.6
109.10144	13.0
115.89996	8.9
117.07015	15.4
119.08578	42.1
121.10155	27.6
129.07018	13.2
131.08553	38.8
133.10095	29.9
135.11690	20.0
143.08551	14.5
145.10136	27.9
147.11732	25.0
157.10048	18.0
159.11679	23.2
161.13220	25.2
169.10100	9.9
171.11719	22.8
173.13219	21.0
175.14807	9.6
183.11641	10.3
183.24141	8.6
187.14772	9.7
195.49503	8.1
241.19527	14.9
259.20505	36.1
314.11026	9.1
333.24185	22.4
335.25851	39.7
512.77167	9.9
593.45062	16.2
611.46881	100.0
773.50916	16.2
803.61493	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	773.3949
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05490	3.7
55.59705	1.5
57.03429	4.9
60.99936	1.5
61.02915	3.5
63.71808	1.4
65.03940	1.5
67.05502	7.7
69.03417	20.3
69.07056	7.6
70.06584	10.7
70.78230	4.6
71.04988	22.8
71.26217	1.3
72.05304	2.0
72.08136	4.3
73.02906	2.8
73.23558	1.6
73.36108	1.3
77.50743	1.5
78.67217	1.5
79.05482	5.8
79.10026	1.7
81.03412	4.9
81.07050	11.1
82.01522	1.5
83.04987	8.7
84.08118	2.8
85.02898	32.5
86.03237	5.0
86.09680	4.4
87.04458	1.5
91.05473	4.3
93.03315	1.6
93.07028	7.3
95.04945	6.5
95.08606	8.2
97.02879	3.6
97.06495	6.9
99.04434	2.9
105.07026	16.4
107.08559	6.8
109.02836	2.5
109.06503	12.5
109.10136	5.8
111.04441	3.5
111.08086	4.3
119.08565	10.6
121.05067	1.8
121.06472	2.6
121.10117	14.4
123.04405	15.4
123.08073	5.1
127.03940	1.8
129.05470	8.0
129.10266	2.2
133.06474	6.4
133.10115	49.0
135.11684	2.2
136.07536	2.2
137.05943	6.7
137.09607	28.0
139.11162	2.8
145.10147	2.6
147.06505	2.8
147.08015	4.0
147.11649	8.9
151.07489	4.9
153.01840	4.6
156.09305	6.1
159.11662	3.0
161.13261	14.1
163.11140	6.3
165.09111	2.1
167.07079	1.5
171.11644	13.0
174.10368	7.3
177.05475	4.9
178.05467	1.5
179.14246	2.1
184.83904	1.8
189.11084	3.1
189.12720	40.9
207.06470	2.9
207.13777	100.0
208.14070	1.9
225.14827	75.8
229.04930	4.5
246.04977	1.5
274.04495	2.9
275.05008	1.8
285.03894	3.0
286.04211	2.8
287.04919	1.7
302.04117	6.6
303.04889	23.9
304.04837	4.4
317.06528	61.5
318.06885	47.6
319.07080	32.7
360.07761	2.3
522.70087	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	773.2127
Annotation	Quercetin 3-(3R-glucosylrutinoside)
Peak:m/z	Relative Intensity
55.01857	0.3
55.05487	0.3
57.03437	1.6
61.02912	0.9
65.03894	0.2
67.74628	0.2
68.99774	0.2
69.03421	1.7
70.06579	1.3
71.04984	7.8
71.52154	0.3
72.08131	0.5
73.02909	0.4
75.04436	0.3
81.03398	0.9
83.04967	0.7
84.08132	0.2
85.02901	13.1
86.09694	0.3
87.04456	0.4
88.11552	0.2
91.05421	0.2
93.07085	0.2
97.02348	0.3
97.02886	2.0
99.04461	0.3
105.03387	2.2
106.03696	0.3
107.08587	0.3
109.02856	0.8
111.00797	0.6
111.04428	0.4
116.13835	0.2
121.02881	1.2
123.04393	0.3
127.03918	1.5
129.05440	2.3
137.02339	2.5
145.04938	1.4
147.04413	0.3
147.06505	0.8
149.02313	0.3
153.01811	2.8
163.03935	0.4
163.06059	0.2
165.01805	1.9
165.96371	0.2
177.05432	0.4
179.07005	0.4
181.09752	0.4
183.02885	0.7
195.02756	0.3
197.08044	0.4
201.05513	1.0
229.04948	3.1
247.05949	0.8
257.04465	2.4
274.04642	0.8
275.05478	0.2
285.03845	1.4
287.05542	1.4
302.04187	0.3
303.04962	100.0
304.05313	3.8
310.63629	0.2
315.04941	0.4
316.05774	0.3
317.06516	0.6
327.04816	0.3
345.05994	1.2
369.05862	0.4
449.10840	1.2
465.10266	24.2
466.10489	1.2
611.15417	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	771.2332
Annotation	7-Methylquercetin-3-Galactoside-6''-Rhamnoside-3'''-Rhamnoside
Peak:m/z	Relative Intensity
55.01880	0.3
55.05499	1.1
57.03432	2.6
59.04989	0.3
61.02907	0.4
67.05500	0.5
69.03413	1.9
71.01358	0.3
71.04987	16.6
71.36839	0.3
71.37167	0.4
73.02919	1.7
75.04463	1.1
81.03400	0.9
83.04974	4.8
85.02899	23.6
87.04447	0.6
92.02621	0.4
93.03387	0.5
95.04961	0.8
97.02879	1.4
99.04424	1.0
111.00809	0.3
111.04436	3.8
113.05997	0.5
117.05468	1.0
121.02837	0.7
126.03100	0.3
127.03893	1.0
129.05467	6.8
139.03893	0.6
145.04944	0.5
147.06506	3.0
151.03903	0.8
153.01817	4.5
153.05435	1.4
157.04933	0.5
159.06598	0.4
163.06021	1.0
165.01768	0.4
171.06436	0.5
177.05391	0.3
183.02983	0.3
183.06548	0.4
193.01738	0.3
201.07535	0.3
203.10721	0.2
217.04999	0.5
225.64082	0.3
228.04196	0.8
229.04950	1.7
239.09167	1.4
243.33157	0.3
245.04393	0.7
246.05203	1.1
257.04443	1.7
257.10150	0.6
260.03232	0.3
273.03906	1.2
274.04651	3.4
275.11246	0.3
285.03967	3.8
286.04483	0.4
293.12320	0.4
301.06982	1.3
302.04169	9.7
303.04639	0.5
317.06528	100.0
318.06879	3.9
329.06488	1.4
341.06479	0.5
359.07526	2.7
383.07483	0.7
427.10397	0.9
443.29623	0.4
445.11191	0.7
461.10767	0.3
463.12396	2.7
469.11621	0.3
479.11868	2.0
625.17310	0.6
677.15741	0.3
743.29407	0.3
776.72839	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	771.2329
Annotation	Rhamnetin 3-rhamninoside
Peak:m/z	Relative Intensity
55.01858	0.3
55.05508	0.8
57.03429	2.5
59.05003	0.3
61.02921	0.5
67.05501	0.3
69.03423	2.1
70.06591	0.3
70.85522	0.3
70.85858	0.2
71.01328	0.3
71.04986	12.9
72.05289	0.2
72.08141	0.2
73.02914	1.2
75.04482	0.9
75.04869	0.1
81.03417	0.8
83.04975	3.9
85.02897	19.5
86.09692	0.3
87.04465	0.5
91.05482	0.3
92.02642	0.5
93.03394	0.5
93.07032	0.2
93.56292	0.1
95.04959	0.6
97.02889	1.4
99.04446	0.7
101.05992	0.2
107.08601	0.2
109.02872	0.6
111.04433	2.8
113.06010	0.5
117.05495	0.6
121.02866	0.6
125.05997	0.2
126.03170	0.2
127.03930	1.1
129.05470	5.1
133.06595	0.1
135.04425	0.2
137.02301	0.2
139.03877	0.8
145.04974	0.7
147.06500	2.0
148.96477	0.1
149.05959	0.2
151.03899	0.6
153.01816	3.8
153.05399	0.7
155.07158	0.1
157.04953	0.2
159.06548	0.2
163.03955	0.5
163.06033	0.9
165.01814	0.5
169.05020	0.2
171.06522	0.5
177.05423	0.3
183.06558	0.2
191.07178	0.2
193.08507	0.2
201.05444	0.4
201.07367	0.2
203.03313	0.2
207.06328	0.2
213.07614	0.2
217.05005	0.3
218.05765	0.4
219.02980	0.2
228.04146	0.6
229.04953	2.2
230.05313	0.2
231.03075	0.2
239.09070	1.0
245.04536	0.5
246.05171	1.1
256.03574	0.2
257.04410	1.8
257.10226	0.4
260.03162	0.2
271.05927	0.2
273.03891	0.9
274.04703	3.3
275.11230	0.5
284.03171	0.5
285.03918	3.2
286.04572	0.2
288.06223	0.3
293.12506	0.1
299.05518	0.2
302.04172	9.5
303.04391	0.3
315.04785	0.2
317.06522	100.0
318.06888	2.3
329.06549	0.5
331.07883	0.2
341.06485	0.3
359.07611	1.5
367.08224	0.2
383.07599	0.5
409.09253	0.3
415.05743	0.2
427.10178	0.8
445.11298	0.3
463.12457	0.9
479.11819	1.2
644.87067	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	770.3432
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01854	2.3
55.05501	6.1
55.05739	1.1
57.03442	1.3
57.07075	1.6
61.02925	2.1
67.05508	5.5
69.03424	8.5
69.07061	8.5
69.11627	1.2
70.06592	9.2
71.04988	15.5
71.52916	1.4
72.08146	3.3
73.06544	1.5
79.05487	14.3
81.03416	6.5
81.04704	1.1
81.07052	64.7
83.04979	1.7
83.08603	3.6
84.04516	2.3
84.08135	2.3
85.02894	20.5
86.09703	3.0
87.00828	9.4
91.05473	12.7
93.07035	26.5
95.04938	3.0
95.08000	1.5
95.08603	23.2
97.02887	9.5
97.06526	1.9
97.10178	2.2
99.04446	3.0
99.08075	4.5
105.01872	11.2
105.07025	31.0
106.07375	1.4
107.08586	37.3
109.02898	6.5
109.10145	31.1
111.11713	1.3
113.09654	2.3
117.07007	2.1
119.08574	62.6
120.08898	1.3
121.10142	8.5
123.11697	15.1
125.09594	3.2
127.03909	17.5
127.10309	2.0
127.11189	29.8
129.10168	1.6
131.08580	2.4
133.09117	2.1
133.10121	35.1
134.10446	2.4
135.11679	71.0
136.12003	1.6
137.06001	1.5
137.13240	2.2
143.10663	12.6
145.04967	4.2
145.06705	1.2
145.10107	4.6
147.11670	23.5
148.12003	1.1
149.13205	6.9
151.11127	1.6
153.12730	8.6
157.10057	1.2
159.02823	2.0
159.07925	1.5
159.11702	3.1
159.67511	1.3
161.13269	12.2
163.14816	1.9
167.07092	2.1
167.08533	1.1
167.14189	1.5
169.12253	1.2
173.13193	1.4
175.14864	2.6
177.05418	1.7
177.16360	1.9
189.03899	1.4
201.16339	2.2
203.17944	62.0
204.18175	1.5
205.19505	2.4
213.03903	2.0
219.17407	4.2
220.17616	1.5
221.18994	100.0
222.19206	2.3
231.04977	4.8
245.19096	1.7
249.06018	3.0
263.19913	1.6
272.06439	1.3
273.06192	3.1
311.20062	2.2
329.21085	1.8
433.21948	2.6
451.23227	2.0
461.09119	1.7
469.23883	1.4
554.96143	1.5
770.26404	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	771.2334
Annotation	7-Methylquercetin-3-Galactoside-6''-Rhamnoside-3'''-Rhamnoside
Peak:m/z	Relative Intensity
55.05496	0.9
57.03434	3.0
58.92889	0.2
59.05004	0.3
61.02919	1.4
65.03929	0.3
65.48890	0.2
69.03423	1.8
70.06573	0.7
70.77397	0.4
71.01332	0.4
71.04992	19.6
73.02912	2.0
75.04498	1.1
81.03414	0.4
83.04980	4.1
85.02903	24.2
86.09642	0.4
87.04459	0.7
91.03946	0.6
92.02622	0.6
93.03403	0.9
95.04964	0.7
97.02899	1.3
97.06477	0.4
99.04444	1.2
103.03965	0.2
109.02887	0.6
111.00837	0.2
111.04449	3.1
113.06020	0.4
117.05482	0.8
121.02853	0.7
127.03902	1.1
129.05472	7.0
136.07518	0.2
137.06010	0.3
139.03874	0.8
145.04918	0.6
147.06523	2.6
149.06068	0.3
151.03877	1.1
151.07567	0.3
153.01834	4.9
153.05444	1.2
163.03888	0.3
163.06013	1.3
165.01860	0.7
171.06578	0.5
177.05467	0.6
193.08653	0.3
201.05463	0.4
201.07539	0.5
217.04936	0.6
218.05852	0.4
228.04185	0.8
229.04955	2.3
231.02975	0.3
239.09161	1.5
245.04437	0.9
246.05151	1.1
256.03995	0.3
257.04483	2.1
257.10202	0.5
258.05151	0.3
260.03119	0.3
273.03915	1.0
274.04697	3.9
275.11362	0.7
284.03192	0.2
285.03973	3.6
286.04379	0.3
293.12415	0.3
301.07172	0.4
302.04202	11.0
303.04489	0.4
314.04425	0.3
315.04892	0.4
316.05548	0.2
317.06546	100.0
318.06891	3.0
329.06528	1.7
330.07251	0.3
341.06439	0.8
355.08176	0.5
359.07648	3.3
383.07571	1.5
427.10153	1.2
443.09418	0.3
445.11243	1.0
461.10675	0.7
463.12451	3.5
479.11847	2.5
547.28589	0.2
586.64899	0.2
625.17297	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	764.3116
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	2.3
57.03421	0.7
65.03936	19.6
67.05500	3.4
69.03403	1.5
70.06596	3.7
71.52780	0.9
72.08140	0.6
75.59583	0.6
79.05471	2.4
81.03417	0.9
81.07046	1.2
82.04208	4.2
84.08131	0.7
85.02892	3.3
86.09696	1.7
88.60382	0.6
91.05481	6.1
93.03398	6.4
93.07045	0.7
95.01314	2.9
95.04946	2.7
97.02871	1.2
97.06500	1.3
103.05453	2.0
105.03388	1.1
105.07021	2.3
106.04183	0.8
107.04951	3.4
108.02070	1.8
109.02946	0.7
110.03655	22.3
111.04431	34.0
115.05438	1.7
117.06975	0.9
119.04928	4.5
119.08543	1.0
120.08085	0.7
121.02849	16.7
121.06451	1.5
123.04405	2.2
125.05980	25.9
129.06946	1.3
129.10188	0.7
131.04910	2.9
132.05600	0.8
133.02847	4.9
133.06477	2.4
135.04366	0.9
136.07602	1.2
137.05966	6.9
138.03104	2.7
143.04974	1.1
144.05684	0.8
145.02780	0.9
145.06480	2.2
146.07254	0.9
147.04430	5.6
147.08008	2.0
148.05182	0.8
149.02162	0.6
149.05928	1.9
151.03903	0.8
151.07483	3.8
152.17760	0.7
153.05449	100.0
154.05775	1.2
157.06375	0.9
159.08022	5.1
160.05171	0.8
161.06035	3.3
163.07558	1.1
165.05501	1.8
165.07018	2.2
167.07034	15.5
167.08495	0.8
171.08060	0.7
172.05157	1.1
173.05956	0.7
175.07549	5.3
176.04674	0.8
177.05431	2.3
178.07733	1.3
179.07062	2.3
179.08420	1.4
181.04994	4.1
181.06419	1.2
182.07298	0.8
185.06027	0.9
186.06671	1.3
187.07561	4.1
189.05424	1.5
189.06985	1.5
190.07771	1.5
191.06961	3.0
191.08554	2.8
193.08571	0.7
194.07263	1.5
195.08022	4.0
196.08798	0.7
197.09543	1.7
199.07533	2.8
202.07751	1.2
203.06982	1.1
203.08705	1.2
204.07745	2.1
205.06502	2.0
205.08479	0.8
206.07283	1.1
207.08121	3.2
208.08813	2.1
209.07980	1.6
209.09677	1.0
210.06747	1.8
211.07620	2.1
216.07751	4.7
217.08417	1.6
218.07281	2.3
219.08052	5.4
220.08794	2.8
221.05959	2.1
221.09575	1.5
222.06633	1.0
223.07497	3.9
223.11211	0.8
224.08261	1.9
225.09113	3.8
226.06203	3.3
226.09772	0.9
229.08586	2.3
233.05861	1.2
235.07617	3.7
235.09613	0.9
236.08261	3.8
237.09048	2.2
238.06213	1.1
238.09805	0.9
239.07018	6.3
239.10698	2.5
240.07809	2.2
241.08469	1.0
246.06540	0.8
247.07419	2.3
247.09650	14.2
248.08293	2.0
249.09067	2.8
251.06822	3.2
251.10594	6.2
252.07753	1.9
253.08592	14.6
254.09187	4.5
255.10049	1.9
261.09003	1.1
263.07037	2.2
264.07715	5.9
265.08566	5.8
266.09357	2.1
267.10092	2.9
268.07330	1.3
268.10919	0.7
269.11691	6.5
271.55060	0.7
275.07010	1.1
276.07840	2.1
277.08594	2.8
278.09409	1.4
279.06812	1.3
279.10132	4.8
280.10532	1.0
281.08093	1.8
281.11227	1.2
282.08850	4.7
283.09494	3.3
285.11664	0.7
289.08502	0.8
291.10010	1.3
292.07446	1.5
293.08063	2.6
294.08838	1.7
295.09647	3.4
296.10468	1.3
297.11209	10.4
298.11835	1.3
307.09613	15.0
308.10336	2.4
309.07935	0.9
309.10999	3.3
310.08392	0.9
311.09067	1.7
311.12601	1.6
315.12140	0.9
319.09644	2.5
321.11176	1.5
323.09048	0.9
323.12628	1.3
324.10025	1.1
325.10672	55.4
326.11288	2.5
327.12256	2.3
329.13730	1.4
335.13092	0.8
337.10721	2.7
339.12241	38.1
340.12811	2.9
341.13776	6.8
351.12225	6.4
353.13708	1.9
355.11871	1.4
357.13290	72.9
358.13632	1.3
359.15109	0.9
369.13306	9.2
370.14090	2.2
371.14920	1.4
387.14432	4.4
489.18927	1.9
499.17709	1.1
528.24310	0.8
710.59290	1.0
757.65948	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	738.3537
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	4.9
55.05507	31.2
57.03433	3.0
61.02918	2.7
62.21150	2.5
63.34539	2.2
65.03915	2.8
67.05505	28.4
68.99781	2.7
69.03410	4.3
69.07059	11.0
69.25600	26.5
70.06561	3.8
70.93877	2.2
71.74959	2.4
79.05487	24.2
81.03416	8.3
81.07053	28.0
83.04941	2.8
83.08613	32.3
85.02853	3.3
91.05461	24.3
93.07039	31.4
95.04958	27.7
95.08621	23.8
95.72133	2.5
97.06525	5.6
97.10158	6.5
105.07021	28.2
107.04951	12.7
107.08570	17.7
109.06500	4.7
109.10146	11.8
111.08090	8.5
115.32670	2.7
117.07011	15.9
119.08566	29.4
121.06489	9.6
121.10116	16.3
123.08071	4.4
125.09615	6.1
127.80393	3.8
129.01895	3.0
129.06964	4.6
131.08534	17.8
133.10135	20.0
135.08047	7.0
135.11705	10.6
137.09615	4.6
143.08537	3.5
145.10132	19.3
147.08014	5.1
147.11668	13.2
149.09619	18.5
149.13219	2.6
151.11211	5.8
155.08559	5.5
157.10109	4.5
159.11705	12.0
161.09622	4.4
161.13255	5.6
163.11159	23.7
165.12755	3.8
169.10155	3.3
173.13342	7.5
177.12714	6.9
179.50081	2.8
183.11658	3.2
187.11176	3.2
189.11226	4.1
197.13216	4.7
205.12209	6.4
227.12856	4.6
229.19600	4.0
239.17903	7.5
247.20485	3.3
257.19003	10.1
258.54410	2.7
275.20047	93.7
279.15930	2.7
293.21133	10.2
294.73230	2.7
297.16904	8.6
311.12573	2.9
349.23715	100.0
350.24487	4.0
353.91547	2.6
367.24799	43.6
384.86908	2.6
523.25739	4.2
541.26404	53.3
542.26349	3.5
759.57166	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	748.4751
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	3.5
55.05513	4.5
57.07069	10.0
62.06067	0.8
67.05501	7.1
69.07063	5.3
69.88189	2.6
69.88601	1.6
71.08625	7.9
76.59396	0.7
79.05482	4.2
81.07053	22.9
83.04996	1.7
83.08600	3.1
83.16682	0.7
85.10182	4.3
91.05478	2.4
91.23874	0.7
93.07037	2.8
95.08598	10.5
97.06512	1.0
97.10204	1.2
105.07025	3.2
107.08585	3.8
109.06501	9.7
109.10139	3.9
111.04428	14.8
111.05133	1.5
111.08093	1.3
119.08580	4.0
121.10123	4.7
123.08051	2.5
123.11702	2.8
125.05980	4.9
131.08542	1.9
133.10147	4.4
135.08058	3.2
135.11641	5.4
137.05966	92.7
137.13240	2.2
138.06271	1.3
143.08554	1.0
143.71844	0.8
145.10141	1.5
147.08038	1.0
147.11678	5.7
149.09612	3.6
149.13278	1.4
151.07535	2.9
157.10207	0.8
161.09596	6.6
161.13261	2.3
163.11143	4.1
163.14819	1.2
165.09076	2.3
167.10655	1.0
175.11208	6.1
175.14876	0.9
179.10670	1.7
189.12793	1.1
193.12263	1.7
203.17987	7.3
213.16411	3.0
216.07939	0.8
217.14342	0.8
221.19009	2.5
223.14906	0.9
231.17432	8.3
232.96373	1.0
239.24153	0.8
241.15858	1.0
249.18478	6.3
277.17972	47.2
278.18210	2.1
282.27966	1.8
295.19009	18.3
295.21829	0.7
313.27328	19.7
313.30756	1.3
320.22183	5.8
338.23282	1.0
351.21695	13.1
454.28775	1.1
589.44562	100.0
590.44983	7.6
607.45691	18.7
608.46362	1.3
702.74664	1.0
712.44708	1.2
730.46100	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	760.3013
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	0.9
55.01856	0.8
57.03442	0.4
60.04515	0.6
61.02921	1.2
69.03414	2.1
69.55370	3.2
70.06593	0.8
73.02950	0.4
78.04720	0.5
78.57275	0.4
79.05491	3.0
81.03410	10.1
81.07050	0.6
84.04495	0.5
85.02894	7.3
86.09697	0.6
91.05487	1.9
95.04964	1.7
95.85527	0.4
97.02876	3.0
99.04449	1.0
102.04671	0.6
103.05453	2.3
104.93634	0.4
105.07022	1.1
106.04147	0.4
107.04946	8.1
107.55814	0.4
109.02906	0.6
115.05445	6.5
116.06222	0.6
117.07010	15.4
119.08548	0.4
123.04427	2.5
124.05224	1.4
125.06000	1.1
127.03908	1.7
127.05384	0.4
128.06195	0.6
129.07010	2.5
130.04103	1.0
131.04883	1.4
131.08586	3.8
133.06488	1.1
135.04410	0.4
137.06018	0.4
141.06972	1.3
143.04900	0.6
144.05623	2.8
144.06654	0.7
145.05020	1.9
145.06470	35.9
146.06825	0.8
147.04390	0.7
147.08032	1.7
152.04652	1.2
153.05482	0.5
155.06007	4.5
155.07060	0.5
156.05655	5.9
157.02959	0.4
157.06458	1.9
159.08028	5.3
160.05292	0.5
161.05983	3.1
162.07603	1.4
163.05972	0.6
167.07024	39.5
168.07405	1.4
169.06308	0.5
172.05209	0.7
172.37926	0.5
173.05968	63.7
174.06320	2.1
175.03935	0.5
175.07541	1.3
177.05513	0.8
179.06921	0.5
180.08669	2.6
181.04909	0.6
181.08513	0.6
183.06554	0.8
184.05185	2.5
186.06723	0.6
187.07487	6.2
190.06227	38.0
191.06876	2.1
193.08530	1.4
195.06474	0.9
202.06203	3.9
202.07753	0.5
203.06987	6.5
204.07611	0.8
205.08580	100.0
206.08998	2.8
206.22606	0.5
207.06482	1.8
207.10197	0.8
210.06746	0.7
211.07587	0.5
215.06906	1.1
217.08572	42.4
218.07169	0.5
218.08981	1.8
219.08064	1.2
219.10136	4.7
223.09615	3.4
231.07933	1.3
231.10074	0.8
233.09517	0.6
235.09615	32.6
236.10162	0.9
247.07382	1.0
247.09634	6.0
248.08275	1.6
249.08858	0.6
261.09070	0.6
262.09879	0.5
263.10699	1.3
264.07791	0.9
265.10693	53.8
266.11041	1.4
269.08087	1.7
271.09653	1.6
275.06863	0.5
276.07742	1.2
276.35406	0.5
277.08661	0.7
279.10181	1.5
290.09253	0.9
291.10104	1.6
292.07224	0.7
292.18152	0.5
293.07986	1.5
296.10245	0.5
301.07025	0.6
305.08069	0.5
307.09500	0.8
308.10406	0.9
315.08612	4.9
319.09662	0.8
322.11954	0.6
323.12674	1.5
330.10959	6.9
331.11673	3.2
336.09729	0.7
337.10532	0.9
339.12186	1.3
343.11694	0.9
351.12192	3.5
352.13013	0.7
353.10129	0.5
356.12219	0.6
368.12454	1.4
369.13068	0.8
371.14905	2.5
381.14749	0.5
383.14841	12.7
384.15414	0.7
401.15924	16.7
402.16205	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	757.2177
Annotation	Kaempferol 3-glucosyl-(1->4)-rhamnosyl-(1->2)-glucoside
Peak:m/z	Relative Intensity
53.03907	0.2
55.05485	0.2
55.25024	0.2
57.03431	1.6
61.02923	1.0
66.59180	0.1
68.99765	0.3
69.03422	1.5
69.21465	1.6
70.06545	0.3
71.01302	0.1
71.04984	9.2
73.02869	0.6
74.13521	0.1
75.04433	0.5
79.05486	0.2
81.03409	0.7
83.04974	0.9
85.02896	16.3
86.09698	0.2
87.04424	0.4
87.45246	0.2
91.03898	0.4
97.02882	2.1
99.04417	0.4
107.04928	0.2
109.02825	0.5
111.00756	0.4
111.04443	0.7
121.02846	2.1
127.03902	1.6
129.05458	3.6
133.02811	0.4
135.04416	0.2
137.02296	0.6
145.04942	1.4
147.04359	0.4
147.06528	1.1
153.01799	2.2
157.06467	0.2
163.05975	0.3
165.01804	1.3
175.03806	0.1
177.05406	0.3
183.02859	0.7
185.05911	0.2
189.05594	0.1
196.10294	0.1
203.07001	0.2
213.05463	0.9
231.06439	0.5
236.68584	0.1
241.04868	0.6
242.05453	0.2
246.34647	0.1
255.08496	0.2
258.05176	0.7
259.05960	0.4
269.04440	0.2
286.04642	0.2
287.05463	100.0
288.02631	0.2
288.05774	2.6
299.05505	0.5
303.04895	0.9
311.05426	0.4
325.06940	0.2
329.06543	1.8
353.06555	0.6
383.07245	0.2
397.09244	0.3
411.66949	0.2
415.10184	0.3
433.11264	0.3
449.10757	24.6
450.11185	0.7
491.11868	0.4
550.25238	0.2
595.17151	0.2
611.15668	0.3
701.84955	0.2
784.45978	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	757.2178
Annotation	Kaempferol 3-glucosyl-(1->4)-rhamnosyl-(1->2)-glucoside
Peak:m/z	Relative Intensity
53.03940	0.2
55.01865	0.2
55.05495	0.1
57.03438	1.4
59.05003	0.1
61.02922	0.5
61.97676	0.1
68.99810	0.2
69.03421	1.4
69.85443	0.1
70.06584	0.4
70.65133	0.1
70.65458	0.3
71.01338	0.2
71.04988	8.2
73.02911	0.4
75.04471	0.6
79.05502	0.1
81.03404	0.7
83.04981	0.7
85.02898	14.7
86.03275	0.1
86.09721	0.1
87.04469	0.4
89.38580	0.1
91.03957	0.2
97.02885	1.7
99.04455	0.4
101.02375	0.1
103.03956	0.1
105.03406	0.4
107.04954	0.2
109.02850	0.7
111.00790	0.5
111.04437	0.4
121.02856	1.6
127.03899	1.2
129.05467	2.9
133.02849	0.4
137.02312	0.4
145.04944	1.7
147.04431	0.3
147.06505	0.6
153.01810	2.2
153.03001	0.2
157.06485	0.2
163.05988	0.2
165.01833	1.2
175.03827	0.1
177.05476	0.2
179.69708	0.1
183.02902	0.5
185.06024	0.3
194.02155	0.1
203.06856	0.1
213.05405	0.8
231.06506	0.5
241.04845	0.8
258.05286	0.8
259.05984	0.3
259.27029	0.1
269.04425	0.2
278.02887	0.1
286.04620	0.1
287.05469	100.0
288.05792	2.7
288.72485	0.1
299.05557	0.4
311.05386	0.2
317.06381	0.1
327.77359	0.1
329.06485	0.8
353.06488	0.3
397.09195	0.1
415.10385	0.2
433.10800	0.2
449.10764	27.0
450.10846	0.7
491.12033	0.1
595.16803	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	738.3532
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	1.8
55.01870	3.9
55.05508	13.5
57.03441	7.0
57.07062	1.8
61.02921	2.4
65.03924	1.6
67.05499	30.6
68.99775	2.6
69.03410	3.4
69.07062	13.1
69.10263	0.7
69.78975	4.6
70.06564	1.1
71.04974	2.6
77.03912	1.0
79.05485	32.8
79.95990	0.8
81.03416	5.1
81.07049	100.0
82.07395	2.1
83.04985	4.7
83.08613	10.3
85.02893	2.9
85.06528	2.9
91.05470	26.9
93.07032	25.0
95.04958	10.3
95.08601	24.1
97.02876	1.2
97.06527	6.7
97.10139	2.2
99.04430	1.0
99.08085	2.9
105.07020	32.7
107.04951	10.6
107.08578	18.4
109.06506	35.1
109.10136	9.3
109.32261	0.8
109.68243	0.7
111.00797	2.9
111.08089	3.7
117.07016	7.0
119.08574	26.1
121.06502	6.6
121.10133	16.2
123.08044	8.9
123.11675	5.3
125.09637	2.4
129.01828	6.8
129.06981	3.8
131.08553	12.2
133.06505	1.6
133.10103	18.6
135.08008	4.9
135.11674	6.7
137.09613	4.9
137.13248	2.0
139.00244	1.6
141.06973	1.0
143.08562	2.0
145.06346	0.9
145.10103	11.1
147.08035	2.7
147.11678	26.3
149.09622	10.3
149.13252	6.4
151.11119	3.8
155.08522	1.2
157.01366	1.2
157.10104	5.8
158.86494	0.9
159.11655	9.3
161.09595	1.8
161.13246	4.0
163.11162	9.8
163.14772	2.4
165.12749	11.0
169.10100	1.9
171.11700	2.3
173.13222	5.1
175.11154	6.3
175.14874	1.4
177.12717	3.5
179.14340	0.8
183.02875	0.9
183.11742	2.0
185.13255	1.4
187.11208	1.8
187.14735	1.5
189.12752	1.3
191.14201	1.6
193.12128	4.1
197.13254	1.4
201.12863	1.3
207.13719	1.9
219.13780	1.2
229.14264	1.0
229.19487	3.4
233.19083	1.0
239.17876	3.0
247.20529	5.0
251.12646	1.0
257.19025	7.9
267.15964	1.1
275.20044	77.1
276.20374	2.9
293.21075	31.7
293.50101	0.8
294.21332	1.4
345.97968	1.1
349.23709	64.6
350.24054	2.3
367.24811	9.9
403.21176	3.6
421.21997	4.5
449.21664	17.1
450.21716	0.9
477.24777	1.2
495.25534	1.6
505.24042	1.3
523.25293	7.8
541.26410	71.3
542.26636	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	731.345
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05483	0.4
55.83900	0.3
69.07077	0.4
69.98196	1.9
70.06593	2.7
72.08154	1.1
77.00909	0.4
83.01060	0.4
84.08123	0.8
86.09698	1.4
95.01080	0.4
97.02690	0.4
117.98484	0.4
126.09271	0.4
133.03452	0.5
166.96803	0.3
175.04497	0.4
185.04265	1.1
186.30424	0.4
201.03789	0.6
203.05299	2.5
259.07867	2.7
275.07437	0.4
281.53186	0.4
301.75668	0.4
309.98889	0.5
319.09924	0.6
331.10080	1.7
333.19620	1.5
347.09341	1.8
351.20163	1.2
363.08966	0.5
365.10532	3.9
387.16245	0.7
407.24091	2.4
421.13284	1.6
439.13144	0.6
441.20917	3.4
443.22598	1.2
471.22031	0.4
493.15448	1.9
499.21548	1.9
549.21570	1.0
551.27197	0.5
569.29248	17.8
570.29584	0.7
603.26202	3.2
633.27545	0.4
661.26453	0.7
731.34503	100.0
732.34698	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	729.2748
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	2.1
55.01867	1.9
55.05499	1.0
65.03930	12.8
67.05493	3.1
67.84856	0.8
69.03413	2.4
69.07066	1.2
69.73060	0.7
70.06575	8.5
71.05002	1.2
71.52589	0.9
72.08126	1.9
78.04697	1.6
79.05482	3.9
79.66325	0.8
81.03429	1.8
81.07061	2.0
82.04195	1.7
84.08141	7.2
85.02884	5.1
85.06501	0.8
85.08452	0.8
86.09701	3.6
89.03899	0.9
91.05467	8.3
93.03394	3.4
93.07035	1.1
95.01335	2.0
95.04964	4.0
95.08599	2.1
97.02867	2.0
97.06553	1.0
103.05482	4.4
105.07013	7.3
107.04942	8.4
107.08580	1.0
108.02088	1.3
109.02882	0.8
109.10146	1.4
110.03650	12.0
111.04433	18.2
111.05129	1.7
115.05436	4.1
117.07001	1.6
118.04111	2.1
119.04958	6.4
119.08574	1.6
120.08121	1.4
121.06496	1.6
123.04432	5.7
124.05218	1.9
125.05979	16.0
127.03889	1.2
128.06215	2.4
129.07005	5.8
129.10239	2.9
130.06525	1.5
131.04939	5.4
132.05699	2.0
133.02809	3.0
133.06488	3.2
134.03690	1.1
135.04395	1.2
136.07568	1.2
137.05963	9.3
138.03035	1.5
144.05705	1.5
145.06425	2.5
146.07361	1.0
147.04399	7.3
147.08032	3.6
149.05963	2.6
151.03902	1.6
151.07516	3.0
152.04741	1.8
153.05450	79.4
154.05743	1.3
155.04845	1.9
156.05627	1.0
157.06439	1.2
159.08028	8.6
159.09187	1.4
160.05133	1.3
161.05968	9.1
162.06790	1.3
163.07507	1.9
164.04695	0.9
165.05481	1.3
165.06935	1.7
167.07025	59.1
168.07368	1.1
172.05197	2.7
173.05959	0.9
175.07515	14.0
177.05453	3.4
177.06909	1.1
178.07790	2.3
179.06992	5.4
181.04994	1.4
181.06474	1.3
184.05217	1.7
185.05893	1.2
186.06763	2.6
187.07513	14.8
189.05443	5.1
189.07014	2.8
189.09050	1.0
190.07779	3.4
191.06993	5.5
191.08600	4.2
192.09245	0.9
199.07481	5.7
201.05421	1.2
202.07722	4.8
203.06857	1.2
203.08585	5.5
204.09346	1.0
205.06488	4.2
206.07271	3.8
207.06419	2.1
207.08066	3.2
208.08746	1.5
209.07976	1.9
214.06245	1.3
215.06964	2.5
215.08737	1.7
216.07753	8.9
217.06433	1.4
218.07249	5.6
219.08035	10.7
220.08827	4.3
221.06018	2.3
221.09679	4.4
222.06700	1.2
223.07434	1.4
223.11076	0.9
229.06464	1.2
229.08539	8.3
230.07230	1.1
231.08098	3.4
232.08801	2.7
233.05962	3.4
233.09599	3.2
234.06697	4.6
235.07533	7.4
236.08342	4.9
237.09117	2.7
243.08041	1.1
245.05949	1.8
246.06741	2.8
247.07558	6.8
248.08307	5.2
249.05482	1.7
249.09071	6.6
250.06172	1.3
250.09926	1.1
251.07074	4.0
251.10634	12.1
251.72198	1.0
253.08670	1.5
258.06604	1.3
258.13782	0.9
259.07486	2.3
260.08401	1.4
261.05447	2.9
261.09094	5.2
262.06204	1.1
263.07028	3.9
263.10663	2.9
264.07764	10.0
265.08527	10.5
265.11349	1.2
266.09195	2.6
274.06262	0.9
275.06955	3.6
276.07794	10.0
277.05466	1.7
277.08582	7.5
278.09341	6.7
279.10083	8.6
280.10815	2.0
281.08148	2.5
281.11798	6.0
283.09979	1.0
288.07761	1.8
289.08487	5.6
290.09329	2.3
291.10172	4.2
292.07309	2.5
292.10733	1.7
293.08029	5.3
293.11450	2.2
294.08774	1.8
296.10495	1.0
303.06369	0.9
303.09988	1.4
304.07190	2.3
305.08078	3.5
306.08755	2.6
307.09619	38.3
308.10303	9.3
309.07718	1.2
309.11090	8.1
310.11899	0.9
311.12811	2.5
319.09579	10.9
320.10074	2.1
321.11139	6.4
323.09186	1.2
323.12683	7.4
324.10010	1.6
325.14371	1.2
326.11481	1.5
333.11130	0.9
336.09857	2.2
336.13483	1.0
337.10614	3.2
339.12231	100.0
340.12659	4.2
341.13812	16.1
351.12238	34.5
352.12692	2.7
353.13718	7.5
369.13345	3.3
400.61642	0.8
499.17932	1.1
591.90399	0.9
729.37714	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	729.2747
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	1.3
55.01859	1.0
57.03420	0.8
65.03610	0.9
65.03933	12.0
67.05487	2.5
69.03436	2.4
70.06589	6.0
70.81376	0.6
70.81709	1.0
71.04977	0.6
72.08136	1.3
75.04467	0.5
78.04686	1.3
79.05485	4.6
81.03402	1.3
81.07060	1.0
82.04194	2.4
83.04962	0.6
84.04486	0.8
84.08128	4.1
85.02897	5.2
86.09695	1.6
91.05471	7.4
93.03394	3.6
93.07036	0.8
95.01317	2.0
95.04961	2.3
97.02871	2.0
97.06465	1.0
102.14609	0.4
103.05463	3.9
105.03381	0.8
105.04558	0.6
105.07014	5.9
106.04174	1.1
107.04943	7.3
108.02079	1.1
108.97569	0.4
109.02869	0.7
109.06509	0.6
109.10111	0.4
110.03649	10.4
111.04433	18.2
115.05457	3.5
116.06224	0.6
117.06985	1.2
118.04149	1.3
119.04927	6.4
119.08534	1.2
120.08101	1.1
121.02917	0.8
121.06520	1.6
122.03633	0.6
123.04426	4.5
123.11734	0.5
124.05177	2.1
125.05982	15.9
125.06868	1.1
127.03912	0.7
127.05393	0.5
128.06200	2.8
129.06984	4.7
129.10240	1.6
130.04129	0.5
131.04929	4.6
131.08553	0.9
132.05705	1.4
133.02855	2.2
133.06464	5.4
133.10052	0.5
135.04419	1.2
136.05180	1.1
136.07613	0.7
137.02271	0.7
137.04903	0.5
137.05957	9.4
138.03091	1.3
139.07542	0.7
143.04924	0.7
144.05699	2.2
145.04861	0.6
145.06508	2.6
146.03609	0.5
146.07245	0.9
147.04398	7.4
147.08023	2.0
148.05093	0.5
149.05957	2.0
151.03893	1.3
151.07553	1.9
152.04752	1.1
153.05449	73.8
154.05798	1.1
155.04840	1.1
156.05716	0.7
157.06447	0.9
158.07242	0.5
159.04465	0.6
159.08022	5.5
160.05194	1.6
161.05959	7.6
162.06728	1.3
163.03865	0.7
163.07483	1.8
164.04764	0.7
165.05458	1.6
165.06979	1.3
167.07019	48.5
171.04430	1.4
171.08018	1.0
172.05183	1.9
173.06026	0.7
175.07527	11.2
176.04643	1.0
176.06122	0.5
177.05505	2.8
178.06291	0.4
178.07782	1.8
179.07048	4.6
179.08447	0.8
181.05000	1.1
181.06483	0.7
184.05127	0.8
185.05928	2.1
186.06718	3.3
187.07507	11.1
189.05443	5.2
189.07007	2.6
189.09087	1.4
190.07755	2.9
191.06995	4.5
191.08531	3.2
192.09204	0.9
193.06412	0.8
193.10120	0.8
194.07220	0.8
195.07997	0.8
198.06683	1.4
199.07532	6.1
201.05432	0.6
202.07722	3.1
203.06906	0.7
203.08595	3.7
204.09309	0.8
205.06454	3.0
206.07243	2.4
207.06279	2.2
207.08160	3.1
208.08821	1.7
214.06281	0.8
215.06897	2.4
215.08763	1.0
216.07779	7.3
217.06450	1.6
217.08418	0.9
218.07210	5.1
219.08031	9.9
220.08894	3.7
221.06126	2.3
221.09619	3.3
223.07594	1.4
225.09059	1.1
229.08557	7.7
230.07248	0.8
231.08063	4.6
232.08809	2.1
233.05966	3.0
233.09575	4.2
234.06725	4.2
234.10310	0.6
235.07477	5.4
235.11118	0.6
236.08340	5.4
237.09003	2.8
239.06952	1.2
245.05971	1.4
246.06717	3.2
247.07487	7.2
248.08289	4.6
249.05472	1.7
249.09036	7.4
250.06148	1.8
250.09857	2.0
251.06943	2.3
251.10629	11.5
253.08572	1.7
259.07529	2.1
260.08313	1.7
261.05560	2.7
261.09079	3.7
262.06213	1.7
262.09863	1.5
263.07004	4.3
263.10458	2.2
264.07761	9.9
265.08542	10.0
265.11707	0.6
265.12225	0.4
266.09225	1.6
267.06525	0.6
267.09973	0.7
273.08987	0.9
274.06131	1.4
274.09711	0.4
275.06979	3.4
275.10254	0.6
276.07730	9.5
277.08530	6.9
277.11917	0.6
277.12500	0.5
278.09302	6.0
279.10104	8.1
280.07388	0.9
280.10812	1.7
281.08148	2.3
281.11691	5.1
282.08679	0.5
287.06851	0.8
288.07858	1.8
289.08487	4.5
290.09302	2.4
291.06699	1.1
291.10025	6.3
292.07248	3.1
292.10800	1.2
293.08047	7.6
293.11627	2.5
294.08804	1.9
295.09570	1.7
296.10504	1.0
301.08661	0.6
304.07214	2.4
305.08029	3.0
305.17365	0.5
306.08850	3.0
306.52933	0.6
307.09604	35.8
308.10312	9.1
309.11151	6.1
310.11774	0.9
311.12714	2.8
317.06564	0.9
319.09586	10.3
320.10196	2.2
321.07651	0.9
321.11148	6.1
322.11887	0.7
323.09225	0.7
323.12735	8.2
323.96246	0.6
324.09796	1.5
325.14151	1.0
326.11441	1.3
336.09866	1.4
336.13434	0.9
337.10617	2.9
338.11407	1.0
339.12231	100.0
340.12582	4.2
341.13782	12.5
342.14410	0.6
351.12234	35.3
352.12704	2.5
353.13809	4.4
369.13266	2.2
371.14877	0.7
469.16287	0.6
489.18561	0.7
499.17401	1.7
501.19034	0.5
636.70282	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	726.3897
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	2.7
55.05513	12.4
57.03422	4.0
61.02911	7.7
67.05492	18.8
67.90436	1.9
69.03439	1.9
69.07061	13.6
70.06581	3.0
70.60461	1.6
71.04530	4.1
71.04971	2.3
73.02908	3.3
79.05482	19.7
81.03410	3.4
81.07047	57.9
83.04967	4.8
83.08607	10.0
85.02906	10.5
85.06503	1.8
86.09684	6.4
91.03941	6.8
91.05473	19.3
93.07031	17.3
95.04967	8.5
95.08598	16.9
97.02876	5.0
97.06506	7.3
97.10153	2.0
105.07026	18.1
107.04931	6.3
107.08601	12.0
109.06504	20.6
109.10149	7.4
111.08080	3.6
117.07004	6.2
119.08576	17.1
121.06484	4.2
121.10137	11.3
123.08063	7.1
123.11684	2.9
124.99989	5.1
127.03917	3.6
129.06998	3.1
131.08562	9.0
133.10103	12.6
135.08025	3.5
135.11700	5.6
137.09595	2.3
143.08595	2.1
145.04976	3.8
145.10127	8.8
147.08087	2.2
147.11676	15.4
149.09593	7.6
149.13239	6.9
157.10143	2.5
159.11691	6.0
161.09558	1.9
163.05908	3.9
163.11220	5.6
165.12749	2.5
173.13190	4.9
175.11203	3.0
177.12697	1.9
184.07341	16.3
189.12750	1.8
197.13226	2.4
229.19505	3.3
230.96275	1.8
239.18077	1.9
247.20622	3.3
257.18961	4.0
259.67465	1.8
269.04312	1.9
275.20032	43.2
293.21146	5.7
349.23697	100.0
350.24146	2.5
367.24759	90.5
368.24902	2.4
493.61197	2.1
651.39301	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	726.3904
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03956	1.3
55.01865	1.5
55.05517	8.5
57.03437	2.8
58.74353	0.9
61.02929	3.1
67.05499	8.9
69.03415	1.1
69.07057	5.4
70.06592	2.2
71.06328	2.0
72.14077	1.1
79.05486	7.5
81.03419	2.3
81.07059	10.7
82.34460	1.0
83.04969	3.6
83.08615	7.6
84.08141	1.6
85.02912	3.6
91.03947	2.1
91.05465	5.6
91.17221	1.0
93.07037	9.4
95.04963	17.7
95.08601	6.0
97.02881	1.3
97.06525	2.8
97.10169	4.3
98.36315	1.1
99.04463	2.2
105.07043	7.2
107.04957	3.6
107.08574	12.4
109.06529	2.8
109.10128	3.8
111.04425	5.0
111.08074	2.2
117.07028	2.4
119.08577	6.4
120.08098	1.4
121.06525	1.8
121.10152	6.3
123.08058	2.8
125.09614	3.1
127.03940	1.8
129.07037	1.8
130.48186	1.0
131.08549	4.3
133.10150	5.3
135.11661	3.3
137.09682	1.3
145.04921	1.7
145.10129	6.2
147.08035	2.3
147.11641	2.7
149.09615	9.2
153.12756	1.6
159.11691	2.1
161.09586	1.1
163.11212	8.6
165.09058	1.8
167.07028	1.5
173.09622	1.2
173.13330	1.5
179.10623	1.4
180.10188	1.9
189.11224	2.8
193.12250	1.3
205.12245	1.8
223.13274	10.7
229.14317	1.1
239.56686	1.1
249.25108	1.1
257.18970	2.4
275.20050	14.9
293.21091	11.1
309.20584	1.6
349.23682	9.1
367.24783	100.0
368.25110	1.8
501.50888	1.2
529.30090	2.6
724.35925	1.4
727.30988	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	726.3897
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	1.9
55.01850	3.0
55.05507	9.5
57.02303	0.7
57.03442	5.5
61.02922	7.4
62.42429	0.7
65.03912	1.0
67.05499	17.6
69.03411	2.0
69.07066	14.1
70.65324	2.3
71.04981	1.4
73.02895	2.7
79.05489	18.2
81.03413	2.0
81.07049	58.4
82.07365	0.7
83.04964	2.7
83.08605	8.7
84.15447	0.6
85.02897	8.1
85.06523	2.2
86.53228	0.6
91.03947	4.9
91.05473	15.4
93.07032	15.8
95.04961	5.9
95.08600	13.8
97.02876	3.7
97.06524	4.6
97.10157	1.6
99.08062	1.8
105.07024	15.9
107.04945	5.2
107.08582	11.4
109.06514	21.7
109.10163	5.9
111.08053	2.6
117.07024	4.6
119.08569	13.7
121.06471	3.4
121.10127	6.4
123.08076	4.2
123.11699	4.9
125.05957	0.7
127.03931	1.8
129.06993	1.6
131.08545	6.1
133.10126	9.7
135.08046	2.7
135.11679	4.3
137.09595	2.5
137.13228	0.7
143.08563	1.2
145.04971	1.5
145.10109	6.0
147.11684	12.6
149.09598	4.9
149.13217	4.9
151.11160	1.7
152.77020	0.7
155.08514	0.9
157.10129	2.7
159.11670	5.3
161.13216	2.1
163.06024	2.0
163.11162	4.4
163.14795	1.4
165.12718	3.3
171.11549	1.6
173.09535	0.8
173.13199	2.2
175.11147	2.2
175.14763	0.9
177.12793	2.2
183.11624	1.0
184.07292	0.9
191.14304	1.1
193.12277	1.5
195.13780	0.7
197.72951	0.7
201.12843	0.8
229.19492	1.4
239.17894	1.3
247.20699	3.2
257.18936	2.1
266.09705	0.9
275.20047	21.5
293.20987	4.9
349.23694	65.2
350.24069	2.2
367.24753	100.0
368.25067	3.7
369.25214	0.7
370.98380	0.8
384.81369	0.7
475.04120	0.7
481.91885	0.8
511.28961	2.7
529.30029	4.7
537.94391	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	715.329
Annotation	Glaberianthrone
Peak:m/z	Relative Intensity
54.86644	0.4
67.34376	0.4
69.87978	1.8
89.64725	0.4
95.39337	0.4
105.18348	0.4
134.06624	0.4
138.90019	0.4
144.20750	0.4
155.79958	0.5
169.46342	0.5
246.26605	0.4
321.04721	0.5
379.48685	0.4
447.59689	0.5
481.44824	0.4
531.24646	0.5
618.21375	0.5
715.32965	100.0
716.33453	5.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	722.4308
Annotation	Unknow
Peak:m/z	Relative Intensity
54.66798	4.8
61.02919	16.0
67.05498	33.8
69.07061	5.6
69.54334	34.4
74.57037	4.3
79.05465	15.0
80.11294	4.3
81.07056	37.4
85.02901	21.8
91.03941	18.7
91.05472	12.4
93.07033	25.9
95.08614	27.4
97.02868	10.4
98.21493	8.5
105.07048	10.4
107.08572	19.1
109.10119	20.9
121.10136	22.8
123.11677	15.4
125.07091	4.0
127.03886	7.5
129.61261	4.5
131.08540	11.5
133.10088	7.9
135.11716	20.9
137.13248	6.6
145.04959	11.9
145.10104	7.6
147.11607	5.3
149.13231	16.7
159.11670	11.1
161.13249	8.0
163.06027	12.0
163.14944	8.7
173.13266	12.8
177.16377	4.8
187.14760	8.6
243.21094	38.0
249.02377	4.5
261.22125	100.0
279.23148	6.4
335.25800	27.6
353.26797	58.1
384.89325	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	725.4377
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	4.3
55.01865	4.8
55.05514	26.7
55.17277	2.9
67.05499	30.7
69.07053	8.9
71.04996	3.4
71.52977	4.7
79.05485	47.2
79.39293	2.7
81.07052	30.2
83.04977	20.3
83.08604	8.9
91.05476	16.7
91.68169	2.8
93.07025	26.1
95.04970	7.2
95.08598	18.2
97.10154	12.4
98.98428	10.4
105.07010	21.8
107.04948	18.3
107.08587	43.9
109.10149	16.0
111.08052	4.2
117.07007	7.7
119.08587	19.5
121.10117	16.2
121.61773	2.8
123.11703	4.1
125.09620	12.2
131.08530	8.2
131.68094	2.9
133.10130	15.9
135.08067	6.1
135.11650	5.3
145.10077	8.7
147.11679	9.0
149.09602	54.2
149.13263	4.1
153.09106	2.8
159.11627	7.0
161.13298	4.6
163.11159	4.2
163.14731	4.9
169.12256	3.7
173.13194	5.9
189.11131	15.3
193.08286	3.0
209.15320	14.3
229.19423	8.6
243.21120	4.1
257.19022	18.9
261.22134	7.8
275.20047	100.0
293.21219	16.1
335.25742	21.3
372.15820	4.8
400.70117	3.5
466.31238	3.3
515.73883	3.4
724.83209	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	708.3793
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	3.3
57.03421	1.8
61.02912	1.9
67.05498	6.6
69.07047	5.2
70.06584	2.7
71.04977	1.3
71.52543	1.4
73.02917	1.5
79.05478	5.5
81.07052	8.9
83.04966	2.5
85.02892	3.7
91.05473	6.0
93.07033	6.6
95.04964	2.8
95.08598	7.3
98.07275	1.4
105.07013	10.0
107.04933	3.4
107.08591	4.4
109.06507	2.8
109.10146	3.7
117.07031	1.5
119.08559	6.1
121.06487	5.2
121.10159	2.7
123.08048	2.2
124.78172	1.2
131.08565	6.2
133.10100	8.8
145.04945	1.8
145.10139	5.7
147.11714	4.0
149.09625	2.0
151.11127	2.1
159.11702	4.5
161.13258	1.9
163.11118	1.8
173.13301	3.2
201.12715	2.7
207.13928	2.2
209.76080	1.2
219.13849	1.4
222.61642	1.6
229.19765	1.6
247.20605	2.2
257.18964	5.9
275.17285	2.5
275.20035	26.8
293.20978	3.5
349.23691	100.0
350.24023	4.0
367.24857	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	712.3479
Annotation	Unknow
Peak:m/z	Relative Intensity
54.97839	0.4
56.96562	3.2
59.06111	0.6
71.52377	0.6
91.05436	0.4
94.04193	2.0
101.95012	2.7
103.08701	0.9
116.98694	0.6
119.96033	2.0
122.03632	5.9
137.05962	100.0
137.97101	1.3
138.06296	1.7
155.98161	0.6
165.93936	0.4
169.72446	0.4
208.10078	0.8
224.09558	1.4
226.11131	12.2
238.00278	0.6
240.98967	2.4
242.10666	1.0
244.12207	9.6
249.12781	0.4
256.01273	9.8
267.13815	1.2
271.09625	0.5
274.02338	2.1
279.02884	1.2
289.11124	0.4
329.12988	1.7
344.15298	6.2
347.14093	0.5
362.16260	1.6
363.86310	0.4
407.14850	77.3
408.15317	2.4
425.15753	0.5
448.17474	4.5
481.35568	0.5
507.61380	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	703.3867
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	0.3
70.33459	0.8
93.24806	0.2
106.41447	0.2
135.44946	0.2
162.44835	0.2
176.59602	0.2
185.04300	0.6
203.05301	1.7
259.07956	1.3
341.25406	0.3
347.09494	1.0
365.10428	2.6
421.12930	1.2
541.33392	18.1
542.33527	0.4
671.38470	0.3
679.18164	0.3
703.38635	100.0
704.38959	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	707.2095
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03426	1.0
61.19453	0.5
68.51680	0.5
69.03407	1.6
69.65424	3.3
73.02926	0.9
81.03416	0.5
82.99847	0.9
85.02891	2.8
94.99889	0.5
97.02879	2.0
98.97559	0.9
101.00850	2.9
101.05365	0.4
109.02872	0.9
110.01372	0.6
113.00864	1.7
119.01038	0.7
119.01910	13.0
122.01357	2.5
125.00777	0.5
127.02389	0.7
127.03876	1.5
128.01355	1.1
128.98633	0.7
131.00908	0.8
131.01895	12.9
131.51955	1.8
131.65793	0.5
132.01787	0.9
133.03455	1.5
134.99666	0.7
137.01874	6.1
137.02946	1.6
137.51950	1.6
142.52658	0.6
143.01874	16.7
143.51956	1.1
145.03467	7.3
145.04596	0.8
146.02408	1.7
147.01430	0.9
148.01936	0.6
149.01845	1.0
152.02426	4.7
152.52495	1.1
154.02406	0.5
155.01872	7.6
157.03470	3.3
158.02425	1.4
158.52333	0.5
161.02950	19.9
161.53008	0.6
162.02869	0.6
163.04514	1.5
164.02405	1.2
167.01793	3.8
167.03137	0.5
169.03500	2.5
171.04977	2.4
173.02945	22.9
173.53003	1.9
173.87369	0.5
174.02989	0.5
175.04510	2.0
177.05482	1.0
179.01849	2.3
179.03163	1.0
181.03384	0.8
182.03458	1.4
183.92241	0.5
184.04555	0.6
185.02943	32.6
186.03113	0.9
187.04486	3.9
188.03481	1.2
189.06094	0.9
191.04045	1.1
193.03545	0.7
194.03542	1.1
196.04501	0.8
197.02939	14.0
199.04503	1.1
203.03992	18.1
203.54117	1.8
204.04120	0.7
208.04591	1.0
209.02916	1.1
212.04474	1.8
215.03989	9.9
219.01741	0.9
221.05023	1.9
224.04454	3.6
224.54555	0.8
227.04027	7.2
231.07133	0.9
233.05107	0.9
243.01952	0.7
245.05058	100.0
246.05244	4.3
247.04837	0.8
254.05592	2.6
257.05078	5.1
263.06116	14.3
264.06277	0.9
274.06305	0.6
275.06100	10.1
282.07294	0.7
283.06702	2.4
283.56866	1.4
284.06659	7.7
284.56830	2.7
285.06415	0.8
286.07678	1.2
293.07086	4.4
305.07159	13.4
317.07391	1.0
321.10352	3.0
329.07217	0.5
335.08255	4.3
347.08298	1.2
364.09427	1.4
364.59604	1.3
365.09286	47.1
365.59402	2.1
366.09436	1.5
383.10364	3.7
425.11386	36.2
426.11551	1.0
437.11359	2.2
446.20361	0.6
455.12390	2.7
515.15991	0.8
689.16821	0.8
707.19244	0.7
718.25537	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	701.3709
Annotation	Unknow
Peak:m/z	Relative Intensity
50.08585	0.2
69.75406	0.4
69.75716	1.5
90.02065	0.2
105.10085	0.2
110.97267	0.2
137.17982	0.2
157.03105	0.2
185.04192	0.5
203.05412	0.3
218.18240	0.2
259.07947	0.4
283.93259	0.2
347.09573	1.0
499.05081	0.2
539.31866	17.0
540.02936	0.2
540.31885	1.4
701.37103	100.0
702.25702	0.3
702.37408	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	702.3838
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	0.4
55.89652	0.2
56.05005	0.4
57.07071	7.3
58.06598	2.2
58.61491	0.3
65.03607	0.5
65.03929	4.6
66.00763	0.3
68.04997	0.4
69.03419	0.3
69.07058	0.4
70.06586	18.7
70.71277	0.9
71.08627	2.0
72.08127	0.9
75.64860	0.3
78.90014	0.2
79.01857	0.3
81.18843	0.3
84.08131	1.0
85.10149	0.7
86.09693	0.9
88.07623	17.8
93.03371	0.6
95.04951	0.4
102.09173	13.2
105.03339	0.3
118.83995	0.3
121.02844	1.8
121.03836	0.5
132.02080	0.5
132.10219	1.8
139.03894	2.2
146.11755	1.9
147.04366	0.8
149.02332	57.1
149.03424	4.3
150.02708	0.5
174.98848	0.3
175.03888	1.3
177.05464	0.7
180.04247	0.5
181.23738	0.3
187.12366	0.3
191.07094	0.3
193.04947	31.9
194.05353	0.4
196.87805	0.3
212.23712	0.9
219.06512	1.7
225.05482	1.0
226.88857	0.3
237.07562	4.4
238.25348	0.6
256.26328	44.6
257.26682	1.3
263.09027	1.0
269.04471	0.6
297.03946	1.2
300.28958	8.2
313.07068	1.4
327.39471	0.3
341.06543	4.3
359.07617	2.5
385.09128	10.7
387.10922	0.4
403.10245	9.7
404.10199	0.4
429.11771	19.9
430.12289	0.9
473.14392	12.3
474.14890	0.4
540.31128	0.6
640.34717	1.2
684.37622	1.4
702.38287	100.0
703.38812	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	698.4311
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	27.6
57.03431	8.9
57.07072	16.5
61.02922	24.4
67.05495	32.8
69.03432	3.5
69.07061	49.7
70.03666	5.5
70.04077	2.5
71.04983	3.0
71.08628	12.2
73.02898	8.4
75.04460	3.3
79.05482	17.3
81.07043	42.9
83.08607	37.0
85.02896	27.1
85.06553	2.7
85.10182	4.8
91.03952	24.0
93.07028	21.9
95.08593	43.2
97.02885	12.9
97.06517	9.2
97.10165	22.0
98.21447	1.6
99.08083	1.9
107.08566	16.7
109.10139	20.3
111.08087	7.0
111.11707	9.3
113.09663	1.4
115.03913	2.3
115.07623	1.5
116.96990	1.6
121.10129	36.8
123.11661	7.3
125.09622	2.7
127.03918	9.1
135.11668	28.4
137.13261	3.7
139.11198	4.1
143.14343	1.9
145.04927	13.5
149.13232	10.9
150.13614	1.7
151.14812	5.3
153.12706	2.0
163.06003	22.1
163.14824	4.7
165.16388	3.6
167.14291	1.6
177.16313	2.2
187.89763	1.7
191.17937	2.7
194.80289	1.4
200.32858	1.4
227.20010	2.0
235.08740	1.8
239.78238	1.3
247.24187	37.5
248.24495	1.9
265.25232	94.6
266.25647	4.4
283.26291	20.4
339.28891	100.0
340.29105	4.3
357.29953	50.1
358.30484	1.5
379.76901	1.8
402.45541	1.6
421.02203	1.6
498.85541	1.4
501.34137	5.1
559.47015	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	696.4151
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01849	1.4
55.05507	14.2
57.03418	5.7
57.07070	9.1
58.84537	1.1
61.02920	27.6
67.05497	59.4
69.03404	2.2
69.06723	1.8
69.07060	20.5
69.31329	1.1
70.31236	3.9
71.04974	1.5
71.08620	6.1
73.02916	9.1
79.05482	16.4
81.03399	2.8
81.07050	76.1
83.04952	2.1
83.08611	17.1
85.02898	27.0
85.06522	3.7
85.10152	2.3
91.03943	29.9
91.05472	15.3
93.07034	20.1
94.35203	1.3
95.08594	63.9
97.02888	13.4
97.06512	5.9
97.10160	10.3
98.21568	1.5
99.04390	1.1
99.08067	3.5
105.07029	8.7
107.08583	14.5
109.10146	35.0
111.08040	3.4
111.11652	3.6
114.00665	1.3
119.08576	12.2
121.10139	19.7
123.11703	17.4
125.09644	1.6
125.13236	2.2
127.03930	11.5
127.11149	1.7
133.10120	14.0
135.11664	11.0
137.09590	1.5
137.13235	6.5
141.12694	3.4
145.04951	12.5
147.11629	10.5
149.13248	11.2
151.14836	7.1
153.12669	1.5
155.14252	3.4
161.13231	11.1
163.06012	24.4
163.14778	10.2
165.16377	10.7
167.14365	1.6
175.14821	10.3
177.16336	2.0
179.17972	6.9
189.16258	2.9
193.15741	1.3
217.19516	2.2
245.22618	73.5
246.22765	2.0
261.59341	1.3
263.23676	100.0
264.23972	5.4
265.25293	2.2
281.24576	2.7
337.27338	50.2
338.27621	2.1
355.28259	8.8
522.04791	1.4
668.68243	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	698.4314
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	25.7
57.03434	7.6
57.07070	13.6
61.02923	25.3
67.05495	37.6
69.03413	3.4
69.07059	46.3
69.54101	4.8
69.54527	7.5
71.04966	1.9
71.08618	9.0
73.02923	8.6
79.05474	14.8
79.57042	1.3
80.59655	1.4
81.06590	2.9
81.07047	46.7
81.07526	2.4
82.07375	1.5
83.08611	36.5
85.02898	33.3
85.06509	2.6
85.10174	5.6
85.74786	1.4
89.06065	1.5
91.03405	2.6
91.03943	27.9
91.05454	1.6
93.07034	21.2
95.08598	42.7
96.33971	1.4
97.02886	15.1
97.06511	9.5
97.10152	26.3
98.20784	3.3
107.08586	20.2
109.02866	1.6
109.10147	23.6
111.08076	6.1
111.11712	7.2
115.03841	2.0
121.10134	32.3
121.10899	1.1
123.10942	1.4
123.11658	7.6
125.09633	2.4
125.13226	1.9
127.03872	10.6
129.26031	1.4
130.83311	1.6
135.11656	30.7
137.13242	4.6
139.11122	2.5
143.10672	2.2
145.04945	14.6
149.13240	14.4
151.14813	4.6
153.12718	3.3
163.06004	25.9
163.14796	6.9
165.16348	4.8
177.16313	3.7
191.17894	2.9
247.24187	42.6
265.25232	100.0
266.25476	3.9
283.26297	20.4
339.28909	81.4
340.29141	2.5
357.29968	62.9
358.30249	2.8
392.01544	1.7
430.60440	1.7
434.78387	1.6
501.34210	1.8
652.07507	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	694.3998
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	2.5
55.01842	2.4
55.05502	9.4
57.03416	6.4
57.07073	2.8
61.02924	31.0
66.43394	1.8
67.05499	65.5
69.03423	3.6
69.07053	9.5
69.25536	21.3
71.05009	2.3
73.02898	8.3
79.05486	31.5
80.92145	1.7
81.03416	2.4
81.07050	78.1
83.08607	6.4
85.02896	36.9
85.06522	2.9
89.51478	1.7
91.03948	30.1
91.05465	20.6
93.06485	3.0
93.07040	44.8
95.08598	58.5
96.73436	1.7
97.02888	14.1
97.10158	3.0
98.96275	1.7
99.08076	2.5
105.07031	15.3
107.08589	28.7
109.10149	32.8
115.03979	1.8
117.07005	7.6
119.08582	15.1
121.10152	26.5
122.10498	2.1
123.11697	21.3
123.92050	2.2
127.03906	10.9
131.08563	16.1
133.10141	12.0
135.11682	27.5
137.13248	7.6
145.04967	14.3
145.10100	16.6
147.11684	12.2
149.13248	24.3
151.14786	2.4
159.11668	14.8
161.13274	11.4
163.05994	25.0
163.14822	17.0
165.12636	2.3
165.16351	2.3
173.13232	14.4
175.14847	2.4
177.16359	6.4
179.14275	1.9
187.14900	8.6
191.14381	1.9
201.16350	4.1
205.15807	2.2
209.15804	1.8
233.22749	4.1
243.21054	36.3
261.22128	100.0
262.22479	2.5
263.23691	2.8
279.23221	3.0
309.14285	2.0
335.25845	29.9
339.41061	2.1
353.26831	53.3
354.27234	2.3
497.31018	6.7
567.22754	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	695.4032
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00903	0.3
55.05482	0.3
56.96489	9.0
56.96801	1.2
61.17395	0.2
69.07008	0.3
69.48944	0.5
69.49359	1.2
70.06518	0.3
71.95177	1.0
72.95976	0.4
74.97563	0.5
79.05479	1.1
81.07045	2.8
81.07472	0.5
84.95925	0.4
93.06942	0.4
95.08537	0.5
97.96763	0.4
98.20840	0.5
98.97509	0.6
100.01292	0.2
105.06922	0.4
107.08503	0.3
110.97480	0.7
115.00615	0.3
116.98520	0.3
123.01128	0.5
128.98584	1.4
129.02100	0.2
133.01563	0.3
134.99548	0.3
135.11517	0.3
141.02148	0.3
145.01675	0.3
145.88562	0.2
146.99641	2.0
155.03735	0.6
159.63658	0.3
161.01155	0.6
165.00609	0.6
169.01617	0.3
171.03340	1.1
173.01106	0.5
173.04738	0.7
175.02783	0.4
181.05191	0.4
183.03252	0.3
183.06723	0.3
184.64357	0.2
185.04745	1.0
186.01724	0.2
187.02721	0.5
187.06325	0.6
189.04221	0.9
191.05783	0.4
193.08829	0.3
195.06837	0.5
197.04819	0.3
197.08307	0.4
199.02679	0.4
199.06360	1.5
201.04190	0.6
201.07898	0.4
202.05089	0.4
203.05894	1.5
205.07433	1.2
211.02638	0.3
211.06268	1.0
213.04219	0.3
213.07961	5.2
215.09550	0.3
217.03813	0.2
217.07462	3.8
219.07028	0.3
219.09053	0.3
223.02771	0.8
223.06390	0.3
223.08369	0.8
223.10194	0.5
225.07953	2.3
226.05168	0.4
226.08641	0.4
227.05855	0.4
229.07452	4.3
231.09024	10.1
236.09447	0.6
237.04314	0.6
237.07887	1.4
239.09512	2.6
241.03720	0.3
241.07416	0.4
241.11075	3.1
242.08147	0.6
243.09033	3.6
245.10635	0.3
247.08510	3.7
249.07903	0.4
251.09486	4.4
252.09245	0.5
253.07420	0.3
253.11044	0.9
254.10501	0.7
255.09006	6.2
257.10587	2.6
259.12149	4.9
261.07733	0.3
261.10095	1.1
262.08502	0.4
267.08984	0.8
269.10571	25.2
270.10709	0.8
271.12073	0.7
273.10046	4.8
275.11484	0.3
278.10565	0.4
279.08972	2.1
280.09711	1.6
281.10452	0.3
285.09921	0.5
287.11630	13.6
288.12128	0.3
292.12210	2.6
297.10022	2.9
298.10721	1.4
299.11719	0.3
303.11102	0.2
307.15762	0.5
309.68359	0.2
310.13089	0.8
313.14755	0.4
315.11188	1.5
316.11932	0.5
321.17502	0.4
325.16873	0.3
331.15723	8.2
349.16824	17.2
350.17136	0.7
367.17883	100.0
368.18192	2.6
372.18356	1.7
385.18942	20.9
386.19492	0.3
390.19376	0.7
408.20541	9.9
409.20966	0.6
501.43604	0.2
695.40399	11.3
696.41150	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	693.3678
Annotation	Unknow
Peak:m/z	Relative Intensity
51.09651	1.2
52.67199	1.4
53.03915	2.0
55.01857	6.3
55.05507	26.7
57.03422	2.6
61.02919	17.8
65.03975	1.5
65.79153	1.2
67.05499	16.9
69.03417	4.9
69.07059	10.6
70.06587	2.6
71.04969	3.3
71.52589	2.2
73.02913	5.3
79.05489	11.9
81.03426	6.3
81.07049	21.7
83.04965	5.6
83.08154	2.5
83.08614	35.5
83.37236	1.2
84.08978	1.4
84.94537	1.2
85.02894	18.1
85.06503	1.8
91.03947	12.8
91.05463	12.3
93.07038	15.4
95.04945	3.8
95.08598	9.0
97.02908	10.9
97.06519	5.7
97.10162	1.9
99.08105	1.6
105.07019	13.0
107.04948	1.6
107.08599	10.2
109.02898	1.5
109.06499	3.6
109.10146	6.1
111.08070	9.9
112.70876	1.2
117.07008	2.3
119.08584	8.5
121.06479	2.1
121.10123	10.2
123.08048	2.9
123.11663	2.6
126.47612	1.3
127.03891	4.2
129.06961	1.8
131.08546	5.2
133.10106	15.8
135.08052	2.1
135.11688	3.9
139.11176	5.8
143.08485	1.4
145.04951	3.4
145.10095	4.8
147.11674	10.8
149.09604	6.9
149.13239	11.9
151.11157	5.6
155.75743	1.3
157.10094	4.3
159.11673	4.3
161.13220	3.5
163.06015	3.8
163.07422	1.3
163.74644	1.4
165.12729	7.5
167.14284	2.5
168.46806	1.5
171.11665	2.2
173.13275	2.9
175.11180	3.3
175.14769	2.1
179.14299	1.8
185.13235	2.0
185.65874	1.4
187.14896	1.7
189.12704	2.6
212.15585	1.7
241.19534	2.5
242.29112	1.2
247.99829	1.6
259.20554	4.3
277.09766	2.3
277.21622	35.2
279.22824	1.5
285.79773	1.5
291.07672	1.5
301.21631	3.4
323.10327	3.3
351.25266	100.0
352.25610	2.2
365.37259	1.5
369.26318	33.1
393.26392	9.2
415.14862	4.3
459.27307	1.7
505.77478	1.3
552.57245	1.3
629.25726	2.2
666.84210	1.9
677.91669	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.3531
Annotation	Unknow
Peak:m/z	Relative Intensity
51.03873	1.4
52.11876	1.7
53.03930	5.0
55.01868	9.5
55.05508	18.3
57.03434	20.9
57.07039	2.5
59.04996	1.5
61.02925	65.7
62.16683	1.7
65.03941	2.3
67.05502	41.0
69.03429	31.3
69.07065	22.7
70.06600	5.0
71.01340	2.5
71.04968	4.5
73.02920	25.4
77.03916	1.7
79.05490	34.1
81.03414	25.8
81.07055	95.4
83.01362	2.5
83.04974	7.5
83.08619	15.2
85.02904	72.1
85.06517	4.0
87.04443	3.2
91.03955	32.9
91.05477	32.8
93.07048	30.1
95.04962	15.0
95.08600	26.7
97.02884	57.9
97.06517	9.9
98.20721	3.3
99.04438	10.9
99.08102	4.0
101.02401	8.8
103.03944	4.6
105.07018	32.2
107.04935	10.1
107.08595	22.2
109.02885	15.9
109.06511	24.9
109.10122	11.2
111.04409	2.3
111.08075	5.3
113.42699	1.6
115.03929	4.4
117.06982	9.9
119.08584	24.5
121.06503	7.3
121.10150	18.4
123.04420	5.7
123.08050	9.8
123.11727	8.3
125.09660	4.3
127.03912	27.1
129.05492	3.9
129.06987	3.8
131.08588	13.8
133.10123	19.2
135.08038	6.9
135.11700	9.7
137.09607	7.1
143.08597	3.0
145.04926	12.5
145.10114	15.5
147.08054	4.2
147.11682	21.5
149.09619	10.3
149.13223	11.6
151.11186	4.2
155.08531	3.5
157.10112	4.8
159.06549	2.3
159.08012	2.3
159.11688	10.9
161.09669	1.8
161.13263	6.0
163.06032	4.7
163.11156	7.3
165.09087	3.5
165.12729	8.9
167.14291	2.4
169.10069	3.2
171.11646	4.0
173.09612	2.6
173.13258	4.6
175.11165	4.4
175.14830	2.5
177.12733	6.2
179.14270	2.7
183.06537	10.4
183.11726	3.3
187.11124	3.2
191.10715	2.2
193.12187	3.3
195.13806	2.3
201.07547	5.6
201.12753	1.8
204.68918	1.7
215.14395	1.8
229.14253	2.8
229.19565	3.7
239.17950	4.8
247.20543	6.7
257.18997	7.7
275.20038	100.0
293.21078	39.7
305.49530	1.9
327.49899	1.7
349.23734	34.9
359.22241	1.8
367.24753	69.0
368.25333	2.5
391.24686	5.5
395.24115	2.6
419.24060	2.5
433.25620	4.0
457.25974	3.0
463.26773	1.9
475.26898	6.2
493.27728	6.0
511.28879	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	690.3277
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03933	0.5
68.05025	0.7
70.06586	100.0
70.72572	1.1
71.06908	1.0
91.05476	15.1
93.07017	2.3
95.04938	0.5
97.07645	2.0
98.06046	3.5
103.05454	3.9
105.03414	1.1
105.07039	0.6
107.04960	1.8
109.07642	1.3
111.04340	1.2
115.08676	2.1
118.06528	15.5
119.04934	5.8
119.07335	2.0
120.08094	41.8
121.06496	25.8
122.06895	0.4
125.07104	3.5
126.05534	1.1
130.06534	1.7
131.04974	1.7
132.08127	0.4
136.07570	42.9
137.07083	12.8
138.08058	0.8
138.09126	3.8
145.07573	0.4
146.05997	34.9
147.04373	1.8
152.08188	1.9
153.08963	8.0
164.07068	1.3
170.09651	0.7
172.11195	17.4
172.93321	0.4
174.05609	0.6
178.07820	0.6
181.10246	0.4
187.12277	1.0
193.10164	1.1
195.75957	0.4
199.12241	2.5
203.11804	1.0
208.11234	1.4
215.08264	0.5
215.11838	0.5
216.12561	3.9
217.13335	3.8
220.11191	1.4
221.09602	14.5
222.12781	0.8
224.10754	0.8
225.10284	1.6
226.12189	2.4
231.11357	0.6
233.12837	11.4
236.10771	0.5
238.12234	4.6
243.11319	3.5
244.11781	0.5
248.10774	0.9
254.12820	1.9
259.13245	0.4
261.12341	7.9
265.13364	5.3
277.13486	0.9
285.15958	7.7
285.18896	0.6
293.12814	19.2
300.13412	1.1
311.13910	5.0
356.16641	0.6
360.17123	0.9
362.18600	6.3
372.80460	0.4
373.19272	2.3
380.19489	0.7
385.19073	3.0
388.16537	2.9
390.17972	0.6
406.17581	50.0
407.17935	1.9
427.56876	0.4
430.21280	5.5
458.20660	2.2
499.27118	1.7
509.25256	0.6
527.18634	0.7
527.26587	10.3
553.24799	0.5
626.55597	0.5
690.32776	25.1
691.32690	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	685.1753
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	0.3
55.01854	0.4
56.59002	0.3
59.25451	0.3
65.03928	1.7
67.05513	0.4
69.03433	2.3
70.06573	0.9
71.02202	0.3
71.04996	0.4
71.19602	0.8
72.08157	0.5
77.03921	0.9
77.06078	0.3
79.05511	0.4
81.03407	3.9
81.07051	0.4
83.13329	0.3
84.08135	0.5
85.02895	1.6
85.32983	0.3
86.09695	0.7
89.03931	0.7
91.05472	22.9
93.03370	0.4
95.04989	0.6
97.02911	0.5
99.04459	0.6
99.07771	0.3
103.05444	0.6
105.03380	0.7
107.08586	0.4
109.02873	1.1
114.69921	0.4
117.03300	0.4
118.04128	0.4
119.04930	32.4
121.02831	0.5
121.06558	0.3
123.11719	0.4
127.03918	1.0
129.03352	0.9
129.04390	0.4
131.04906	0.6
132.02061	1.7
133.02805	0.7
135.04359	0.4
136.05177	0.6
137.05959	0.8
142.36577	0.4
145.02888	0.9
147.04399	29.9
149.02330	1.5
153.01796	1.9
157.03947	3.2
164.04657	1.2
165.09120	0.4
167.07018	1.0
168.72488	0.3
175.03893	51.4
176.04306	0.7
177.05501	0.9
179.07018	2.7
191.07054	0.6
192.04105	0.9
207.06508	100.0
208.06812	1.2
225.07491	0.5
229.04910	0.9
257.04547	0.4
273.03909	0.6
274.04700	1.0
285.03906	1.2
302.04214	3.4
317.06540	22.1
318.06860	0.4
321.10245	0.4
351.10736	7.1
369.11713	2.9
685.35510	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	688.28
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	0.9
55.01860	0.7
57.03421	0.5
69.03426	2.6
69.87150	2.5
70.06587	3.9
71.04971	0.5
72.08140	1.1
73.02905	0.8
78.04690	1.1
78.34628	0.4
79.05482	3.1
81.03405	2.5
81.07027	1.7
84.04506	0.9
84.08126	1.2
85.02893	4.3
86.09695	2.1
87.00803	1.6
91.05469	3.5
93.07021	1.2
95.04936	1.6
95.08583	1.2
97.02876	2.3
99.04416	0.6
103.05452	3.0
105.01865	1.2
105.07033	4.0
107.04940	6.9
107.08624	0.5
109.02849	1.4
109.06503	0.5
109.10175	0.5
110.07137	0.6
111.04427	1.3
115.05466	2.1
117.06987	1.1
119.04932	0.9
119.08582	0.5
121.06487	1.8
123.04426	3.9
123.08067	0.7
124.05244	2.1
125.05980	1.0
125.07164	0.4
127.03918	2.7
129.06950	0.6
129.10194	0.8
131.04898	5.2
131.08542	1.0
133.06480	5.2
133.10139	0.4
135.08025	1.2
136.07520	0.9
137.05959	3.9
137.13208	0.8
139.07568	0.4
141.06961	0.6
143.08545	0.6
144.05655	0.7
145.02782	0.6
145.04915	0.9
145.06416	2.5
147.04375	2.1
147.08069	0.4
149.05992	0.7
151.03883	1.2
151.07498	3.9
152.04649	1.8
153.05423	0.5
157.06500	0.4
158.07202	1.0
159.02827	1.0
159.08031	1.7
160.05238	0.4
161.05972	5.3
163.07524	10.3
165.09164	0.4
166.08519	0.6
167.07016	100.0
168.07495	1.0
171.07996	0.6
172.05159	0.9
173.05980	1.1
173.09544	1.4
175.03877	0.5
175.07510	1.5
177.05431	2.1
177.09093	2.3
178.06329	0.5
179.07019	3.4
181.08568	5.6
186.98135	0.5
187.07541	2.2
189.09041	0.9
191.07004	1.0
193.08571	16.0
201.09056	1.8
203.08585	0.6
205.08578	2.5
207.06540	0.6
207.10123	1.2
211.09616	1.1
217.08580	1.3
219.10109	2.4
221.11774	0.5
231.07991	0.4
233.11678	3.2
237.11182	3.1
249.11140	2.1
251.12790	1.4
277.10773	0.8
291.10126	0.7
295.13193	1.0
323.12790	2.0
355.15359	11.7
387.17993	11.8
405.19046	32.1
406.19028	0.6
415.17053	0.5
423.20139	1.0
429.18738	0.6
494.19003	0.9
495.20090	0.5
513.20459	0.6
531.22150	1.9
555.63464	0.5
689.24506	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	685.1755
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02396	0.3
53.03937	0.5
54.61405	0.2
59.06116	0.4
59.89538	0.2
65.03929	1.2
65.08939	0.2
68.99814	0.2
69.03429	2.4
69.07068	0.5
70.06590	0.9
71.04989	0.3
72.08156	0.5
76.03147	0.3
77.03924	0.7
79.05487	0.5
81.03410	3.6
81.07070	0.6
85.02898	1.4
86.09692	0.5
89.03911	0.8
91.05474	23.1
92.02629	0.3
92.05819	0.5
92.96412	0.2
93.03406	0.3
93.07063	0.4
95.04984	0.5
95.08605	0.9
95.76004	0.2
97.02879	0.6
99.04416	0.7
101.07127	0.8
103.05461	0.7
105.03390	0.5
107.04944	0.4
107.08575	0.4
108.05754	0.3
109.02887	1.2
109.10137	0.4
115.06284	0.2
118.04173	0.4
119.04935	34.7
120.05280	0.4
121.02905	0.3
121.10126	0.5
122.03661	0.3
127.03911	1.1
129.03387	0.6
131.04861	0.7
132.02058	1.6
133.02856	0.6
133.10120	0.3
135.04417	0.8
135.11639	0.3
136.05194	0.7
137.05948	2.7
138.06281	0.8
139.03877	0.3
145.02850	0.8
146.03653	0.3
147.04399	29.6
148.04814	0.3
149.02303	1.4
151.03979	0.3
151.07504	0.5
153.01822	1.8
157.03951	2.8
160.01494	0.3
160.05238	0.3
161.05959	0.2
162.03125	0.4
163.03865	0.4
164.04720	1.3
175.03896	49.3
176.04309	0.7
176.07784	0.3
177.05473	0.6
179.07014	2.4
187.07484	0.4
192.04172	0.6
201.05345	0.3
205.08617	0.3
207.06514	100.0
208.06850	1.0
217.04918	0.3
225.07498	0.7
228.04131	0.4
229.04932	0.9
245.04565	0.4
246.05241	0.6
257.04285	0.6
273.03918	0.5
274.04675	1.0
284.03085	0.3
285.03888	1.0
302.04178	2.9
317.06540	23.3
351.10727	6.7
359.44763	0.3
369.11765	3.7
371.25504	0.3
441.70663	0.3
495.64084	0.3
511.10590	0.3
523.21277	0.2
528.87988	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	685.1755
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02396	0.3
53.03937	0.5
54.61405	0.2
59.06116	0.4
59.89538	0.2
65.03929	1.2
65.08939	0.2
68.99814	0.2
69.03429	2.4
69.07068	0.5
70.06590	0.9
71.04989	0.3
72.08156	0.5
76.03147	0.3
77.03924	0.7
79.05487	0.5
81.03410	3.6
81.07070	0.6
85.02898	1.4
86.09692	0.5
89.03911	0.8
91.05474	23.1
92.02629	0.3
92.05819	0.5
92.96412	0.2
93.03406	0.3
93.07063	0.4
95.04984	0.5
95.08605	0.9
95.76004	0.2
97.02879	0.6
99.04416	0.7
101.07127	0.8
103.05461	0.7
105.03390	0.5
107.04944	0.4
107.08575	0.4
108.05754	0.3
109.02887	1.2
109.10137	0.4
115.06284	0.2
118.04173	0.4
119.04935	34.7
120.05280	0.4
121.02905	0.3
121.10126	0.5
122.03661	0.3
127.03911	1.1
129.03387	0.6
131.04861	0.7
132.02058	1.6
133.02856	0.6
133.10120	0.3
135.04417	0.8
135.11639	0.3
136.05194	0.7
137.05948	2.7
138.06281	0.8
139.03877	0.3
145.02850	0.8
146.03653	0.3
147.04399	29.6
148.04814	0.3
149.02303	1.4
151.03979	0.3
151.07504	0.5
153.01822	1.8
157.03951	2.8
160.01494	0.3
160.05238	0.3
161.05959	0.2
162.03125	0.4
163.03865	0.4
164.04720	1.3
175.03896	49.3
176.04309	0.7
176.07784	0.3
177.05473	0.6
179.07014	2.4
187.07484	0.4
192.04172	0.6
201.05345	0.3
205.08617	0.3
207.06514	100.0
208.06850	1.0
217.04918	0.3
225.07498	0.7
228.04131	0.4
229.04932	0.9
245.04565	0.4
246.05241	0.6
257.04285	0.6
273.03918	0.5
274.04675	1.0
284.03085	0.3
285.03888	1.0
302.04178	2.9
317.06540	23.3
351.10727	6.7
359.44763	0.3
369.11765	3.7
371.25504	0.3
441.70663	0.3
495.64084	0.3
511.10590	0.3
523.21277	0.2
528.87988	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	684.2865
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	1.3
55.01858	2.0
55.05502	1.2
57.03433	3.3
60.04510	0.4
61.02936	0.8
64.21873	0.4
65.03940	0.6
67.05489	0.8
69.03418	4.0
69.07065	0.6
70.06582	2.8
71.04986	22.1
72.08147	1.0
73.02897	1.5
75.04465	1.3
77.92957	0.5
79.05491	2.2
81.03405	4.4
81.07047	2.0
83.04967	2.3
84.04482	0.4
84.08129	1.3
85.02895	40.1
86.09689	1.1
87.00817	3.0
87.04436	1.0
91.05449	6.1
93.07034	10.1
94.04164	1.6
95.04965	1.7
95.08585	1.1
97.02893	5.1
99.04433	2.2
103.05429	2.2
105.01865	4.4
105.07029	5.2
107.04943	1.3
107.08579	9.3
109.02861	4.7
109.06493	2.4
109.10127	0.6
111.04433	1.3
115.05438	2.0
117.07013	1.3
119.04935	1.8
119.08573	2.1
120.08071	0.8
121.06484	2.7
121.10135	0.7
122.03635	5.0
123.04401	0.8
124.69301	0.5
127.03909	7.7
128.06187	1.0
129.05452	11.5
129.06985	1.5
129.10313	0.6
131.04956	2.3
132.05678	0.9
133.06483	6.4
135.11678	5.9
136.07573	0.6
137.05960	100.0
138.06328	2.1
139.63133	0.4
143.04871	0.8
143.05956	0.6
144.05682	0.6
145.02817	0.9
145.04927	3.3
145.06464	2.5
146.03587	0.6
147.04402	1.9
147.06519	3.6
147.08012	2.8
149.05951	4.4
151.03888	0.7
151.07513	2.2
155.04900	1.1
155.06987	0.4
157.06499	0.6
157.67926	0.5
159.02852	1.5
159.08000	2.4
159.11748	0.5
160.05193	1.0
161.05968	16.4
162.06720	1.2
163.07520	3.4
164.09178	1.0
167.07028	1.5
172.05188	0.9
173.05954	1.2
175.03987	1.0
175.07532	27.3
176.07974	0.5
177.05453	2.1
177.09097	0.9
179.07062	1.2
184.05147	0.6
185.05838	0.4
187.07520	11.2
189.03925	0.4
189.09138	1.0
190.07777	1.6
191.06947	0.7
191.08522	6.3
193.08522	3.5
199.07507	4.6
202.07706	1.0
203.08557	1.9
205.06712	0.8
205.08598	2.5
207.06517	1.7
208.08926	0.8
213.04015	1.0
217.08600	1.7
218.07301	2.1
219.08006	11.3
220.08720	0.8
225.09012	0.6
227.16382	0.6
229.08469	0.6
231.05037	2.0
231.07983	3.2
232.08702	0.6
235.07668	0.8
236.08127	2.3
237.09019	1.0
247.07487	5.9
248.08237	2.5
249.06264	0.5
249.09088	1.1
251.10637	24.8
252.10995	0.7
253.08498	0.7
259.07413	2.3
260.08224	1.0
261.09070	1.3
263.10654	2.0
264.07758	1.4
265.08557	1.1
269.11685	1.2
276.07733	1.1
277.08594	1.0
279.07095	0.8
279.10156	17.2
280.10693	1.6
281.08109	1.4
281.11475	0.6
285.11392	0.7
291.10062	5.9
292.10904	1.6
296.10452	2.0
308.10358	0.8
309.11316	1.3
310.12271	0.5
311.12732	46.8
312.13089	1.2
319.13049	0.5
323.12732	15.4
325.14374	1.0
329.13800	2.4
335.12817	1.1
337.14264	0.6
341.13766	7.2
342.13998	0.5
347.12671	1.2
353.13870	0.5
365.13852	1.4
403.15244	0.5
421.16547	0.6
439.17429	1.2
457.18530	1.0
461.39600	0.5
473.18164	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	684.2487
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	3.7
55.01861	4.2
55.05277	0.9
55.05508	5.9
56.05842	1.2
57.03422	1.0
60.04531	0.8
61.02921	1.9
65.53007	0.7
67.05476	0.9
68.99772	1.7
69.03424	11.8
69.85426	4.0
70.06583	2.6
71.04975	2.5
72.08129	1.5
73.02906	2.9
78.04666	0.7
79.05490	3.4
81.03410	21.3
81.07037	1.1
82.06566	0.8
83.01344	0.9
83.08618	2.9
84.08958	1.5
85.02899	29.4
86.33503	0.7
87.00823	11.7
91.03957	0.9
91.05477	2.8
93.07065	0.9
95.04950	1.8
97.02890	13.5
98.09718	1.0
99.03880	1.1
99.04438	5.9
99.94916	0.8
100.07616	1.4
100.11246	16.0
101.11591	10.1
102.11935	2.2
103.05472	2.3
105.01862	8.2
105.07063	1.7
107.04940	10.6
108.04481	1.8
109.02863	13.3
111.04479	1.0
112.04787	1.2
112.07547	1.1
115.05419	6.0
116.06252	0.9
117.01850	1.6
117.07001	13.8
119.04961	1.3
119.08571	1.2
123.04419	3.4
124.05222	1.5
125.06004	1.2
126.05538	1.0
127.03905	20.8
127.04805	1.1
128.06184	0.9
128.07112	1.0
129.01852	1.2
129.07008	1.9
130.04117	0.8
130.07709	0.8
131.04904	1.2
131.08533	3.1
133.06522	1.3
137.05988	1.6
141.06967	1.6
143.04886	1.0
144.05696	2.3
145.04976	8.5
145.06493	32.1
147.04422	1.3
147.08025	1.6
151.07500	0.9
152.04750	1.2
153.05441	1.1
155.05983	5.3
155.07108	1.0
156.05673	8.5
157.06494	2.1
159.02893	8.6
159.08006	5.3
161.06000	3.5
167.07024	54.0
172.05263	0.9
173.05971	59.7
174.06548	1.0
175.03926	2.1
175.07507	1.7
177.05438	0.9
181.04958	0.9
182.15399	3.8
183.15816	3.5
184.05214	2.3
184.15994	2.1
187.07538	6.0
190.06238	36.3
191.06966	1.9
193.08629	2.0
195.06560	0.8
202.06268	3.3
203.07031	7.4
205.08578	100.0
206.08939	1.6
207.06551	3.1
208.05284	1.3
209.08292	0.8
209.16541	2.6
210.14932	2.6
210.16837	2.6
211.15251	3.6
211.17055	1.6
212.15492	2.7
213.15776	1.0
215.07037	1.5
217.08574	44.9
219.10120	5.2
223.09621	2.5
229.08723	0.9
231.05002	3.5
231.08075	1.8
231.10181	1.5
235.09625	33.8
247.07465	1.7
247.09666	9.3
248.08041	2.7
249.09094	1.3
263.10684	1.6
263.69806	0.9
264.07736	2.1
265.10699	36.1
269.08139	2.1
271.06064	1.3
271.09769	2.5
272.06451	1.5
273.06802	0.8
275.07108	1.1
276.07782	1.2
277.08621	1.4
279.10162	1.2
290.09482	1.1
291.10242	2.1
293.08044	1.7
299.09174	1.3
307.09583	1.5
309.11115	1.3
315.08521	7.4
319.09750	1.1
323.12817	1.6
330.10950	15.1
331.11765	4.1
337.10727	1.5
339.12317	1.4
343.11877	1.6
351.12109	5.5
351.24402	4.7
351.74738	2.0
352.13065	1.0
353.10339	1.4
368.12589	1.3
369.13379	2.8
371.14828	3.7
383.14841	15.5
385.16293	1.1
389.88153	0.9
401.15945	20.1
417.15393	1.1
527.19348	0.9
665.51025	3.6
683.52179	30.5
684.52545	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	681.2758
Annotation	Unknow
Peak:m/z	Relative Intensity
53.12287	0.2
55.01842	0.6
55.05474	0.7
56.05021	0.2
63.03581	0.2
65.03928	0.3
65.13459	0.2
67.05473	0.7
68.04994	0.4
69.07058	1.6
70.06574	1.7
71.52931	0.3
72.08117	0.6
79.05460	0.5
80.04982	0.4
81.94051	0.2
83.01242	0.2
83.04920	0.3
84.04466	0.5
84.08104	0.7
85.02876	0.5
86.09676	0.5
91.05429	0.4
93.07006	0.3
94.06554	4.2
95.04935	0.9
95.08551	0.2
96.04436	0.5
97.06512	1.2
101.07031	0.2
104.04971	0.3
105.03370	0.3
105.07005	0.2
107.04931	0.3
107.08598	0.2
108.04420	0.6
108.08063	0.3
109.02900	0.3
110.06028	1.9
110.07197	0.3
112.07562	0.7
116.04919	0.7
118.06514	0.3
120.08090	0.3
122.06012	12.4
123.04383	0.5
124.07530	1.0
129.10184	0.3
134.06096	0.4
135.02785	0.2
136.03915	0.2
136.07549	1.8
137.05934	0.5
138.05446	0.4
140.07047	13.6
141.07797	0.3
143.08447	0.3
144.04416	2.0
144.07965	0.2
146.05995	6.6
148.07512	0.6
149.07065	0.6
150.05495	1.6
152.07047	2.0
158.06038	0.3
158.09634	1.1
160.07559	1.6
160.09889	0.6
162.05489	1.3
162.09081	0.5
164.07047	0.7
167.07051	0.3
168.08006	0.3
170.09610	0.6
172.03915	12.7
172.07552	0.8
172.11197	0.4
173.04582	0.6
173.08313	0.4
173.10745	0.4
174.05492	5.0
174.09111	0.5
175.08609	0.8
175.12263	0.8
176.07056	0.3
177.05315	0.3
177.06631	0.4
178.04848	0.3
178.08569	0.3
181.04883	0.4
184.07532	0.5
185.08331	0.5
185.10727	0.3
186.09109	5.5
187.08606	1.8
188.06981	0.6
188.09299	1.3
188.10861	0.3
189.07790	0.3
189.10283	0.3
190.04951	0.6
191.05693	1.2
192.06514	0.8
196.07538	0.8
198.07489	0.3
198.09232	1.3
199.08527	0.4
200.07106	1.0
200.10704	1.9
201.10213	1.1
202.08665	0.7
202.10956	3.4
203.08102	0.3
203.11760	7.4
204.06535	19.5
206.08099	6.8
210.09111	0.4
212.07074	0.4
212.09114	0.3
212.10823	0.3
213.08174	0.4
213.10208	2.9
214.08617	11.5
215.08125	5.7
215.11565	0.4
216.08632	1.0
217.09663	1.5
217.13284	0.3
218.08186	0.3
218.10339	0.4
226.07014	0.3
227.07996	0.3
227.11664	1.4
228.10197	4.5
229.09656	2.8
230.08461	0.2
230.10381	1.4
231.11261	7.0
238.08586	0.4
240.08798	0.6
241.09656	2.7
242.08119	2.6
242.10449	0.4
243.11295	1.1
244.12004	0.5
245.09189	2.8
245.12827	0.9
246.09926	0.4
247.10712	1.8
255.11230	6.8
256.09647	3.9
257.09320	0.8
257.12811	1.6
258.09964	0.6
259.10739	89.8
260.11053	1.5
267.11307	0.3
271.10709	1.9
272.11484	0.4
273.12286	6.7
274.10638	0.2
275.10251	0.3
283.05920	0.5
283.10736	3.9
284.09070	0.4
285.12244	0.7
287.10181	1.5
289.11737	0.5
299.10129	0.4
300.11472	0.2
301.11783	66.2
302.12216	1.4
313.07547	0.4
313.11768	6.1
314.12369	0.2
317.11255	0.3
318.12051	0.5
319.12836	100.0
320.13150	2.1
327.13110	0.3
331.12881	2.5
333.14444	0.6
335.12463	1.3
336.13098	0.4
337.13885	21.2
338.14407	0.5
341.54254	0.3
345.14426	5.9
363.15424	0.4
433.10992	0.4
446.16980	0.4
505.18521	1.0
506.18784	0.3
508.17038	0.9
523.19379	0.8
645.25153	1.1
663.26471	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	680.3481
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.8
54.39724	1.1
55.01857	4.1
55.05505	12.0
57.03423	5.9
61.02904	2.6
63.01540	1.3
65.32743	1.3
67.05499	26.5
69.03427	3.1
69.07072	14.9
69.66898	1.4
70.06583	2.3
70.64471	4.9
71.01348	2.6
71.04990	3.2
79.05493	23.0
81.03391	5.7
81.07050	81.8
83.04965	5.8
83.08611	10.5
84.08107	1.5
85.02884	2.3
85.06521	3.3
86.09686	2.4
89.02353	1.6
91.05477	22.1
93.07036	20.0
95.04955	8.9
95.08598	18.2
97.02876	2.0
97.06503	6.1
97.10152	2.5
97.10899	1.1
99.00780	1.4
99.08074	3.1
100.11250	2.7
103.05460	1.3
105.07025	27.1
107.04940	10.5
107.08583	17.2
109.05804	2.4
109.06510	32.5
109.10151	8.0
110.35040	1.3
111.08056	3.9
117.07028	6.6
119.08569	21.5
121.06482	5.8
121.10141	12.6
123.08073	6.6
123.11682	7.2
125.09649	1.8
129.06973	5.3
131.08537	11.9
133.10132	17.8
135.08018	4.3
135.11639	6.6
137.09602	2.4
143.08546	2.3
145.10092	11.2
147.08057	2.3
147.11674	22.0
149.09633	9.8
149.13243	8.6
151.11150	3.8
157.10094	5.1
159.11682	9.4
161.09619	1.5
161.13216	4.4
163.11136	6.8
163.14847	1.8
165.12729	8.9
169.10098	1.9
171.11661	3.0
173.09604	1.6
173.13196	3.2
175.11150	5.8
177.12775	2.4
183.11626	2.9
187.11253	1.6
187.14758	2.2
187.19336	1.5
193.12160	2.7
197.13184	2.6
205.12361	1.5
229.19492	2.6
239.18007	2.6
247.20592	5.3
249.30397	1.7
257.19025	5.8
275.20053	76.5
276.20154	1.6
293.21094	21.1
349.23709	78.7
363.21503	6.2
367.24774	8.3
391.21237	3.5
409.22302	11.7
465.24710	5.4
483.25858	100.0
484.25793	1.6
544.16882	1.4
645.30988	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	680.3479
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	4.9
55.01854	6.0
55.05506	28.0
57.03419	7.9
61.02907	5.8
65.03900	3.0
67.05493	25.9
69.07053	17.2
70.06573	3.6
71.04982	2.4
71.52087	5.3
79.05487	25.1
81.07055	27.2
83.04950	5.7
83.08612	31.7
85.02871	4.2
87.17627	2.5
89.46573	2.6
91.05476	27.7
93.07034	25.1
95.04969	24.7
95.08592	21.9
97.06505	5.0
97.10153	4.8
100.11222	6.7
100.72322	2.4
105.07014	30.6
107.04942	8.9
107.08578	16.6
109.06517	5.5
109.10136	16.4
110.22286	2.7
111.08050	5.4
117.07013	9.3
119.08568	25.0
121.06483	10.5
121.10146	16.6
123.07999	4.0
123.11713	2.7
125.09607	5.7
129.06993	3.1
131.08604	15.1
133.10133	23.1
135.08038	5.3
135.11676	8.2
137.09673	4.9
140.98940	2.6
145.06403	3.3
145.10107	17.4
147.11676	10.0
149.09572	20.6
151.11256	3.0
159.11632	9.7
161.13284	4.9
163.11151	24.3
165.12717	3.0
171.11665	3.5
173.09526	3.5
173.13208	5.5
177.12675	3.5
179.99077	3.0
183.11653	3.3
185.13258	3.5
186.58926	2.9
187.11142	3.0
205.12212	5.5
219.13809	3.5
222.78001	2.9
229.19455	5.4
239.17883	7.6
247.20338	3.2
257.18967	11.8
275.20038	93.9
293.21094	9.3
297.16946	5.9
345.36130	2.6
349.23709	100.0
367.24695	36.0
408.09494	3.0
483.25732	44.2
502.51395	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	679.4254
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	0.7
57.79832	0.6
58.15627	0.5
58.99867	0.9
67.05499	0.9
69.07050	1.2
70.06564	2.2
70.34065	2.7
72.08150	0.6
76.15288	0.5
77.00895	8.8
79.05473	2.1
81.07040	4.7
83.08609	0.8
84.08089	0.8
86.09666	0.8
91.05481	0.8
93.07037	0.8
95.01931	4.7
100.11232	0.6
107.08566	1.1
113.11156	0.5
121.10085	0.8
131.01875	1.9
133.03436	0.6
150.19331	0.6
157.10083	0.5
161.06544	0.6
167.05510	0.6
171.04999	0.8
173.06705	0.7
179.09038	0.6
185.06546	5.2
187.08139	1.2
196.53384	0.6
197.10188	3.3
199.08105	0.7
201.09683	2.9
203.07631	1.5
207.04955	1.8
209.10217	1.2
213.09694	3.6
215.11252	21.6
216.11526	0.8
217.10759	0.9
219.10696	2.7
221.06670	1.0
221.10233	1.4
221.56822	0.7
223.11772	1.9
225.05981	0.8
225.09647	0.7
225.13336	2.4
227.11243	4.6
229.12752	0.9
231.10602	3.8
233.10188	1.0
233.12291	7.4
235.11732	5.3
237.13673	0.8
238.12831	1.2
239.11195	5.5
241.09140	1.1
241.12825	4.0
243.14386	14.5
245.12419	1.5
245.15964	0.7
253.10133	1.3
253.12811	25.9
254.13029	0.9
255.14394	0.9
257.12329	5.4
261.15585	3.8
263.11258	2.9
264.11942	1.6
265.12805	0.8
266.15884	0.9
271.13864	27.3
272.14111	0.7
276.14478	2.8
281.12326	6.0
282.13156	0.8
283.13828	1.2
289.16403	0.6
291.18008	1.1
294.15408	1.5
299.13342	1.6
300.55725	0.7
309.19037	1.2
313.16312	0.6
315.17996	8.1
333.19046	30.6
334.19354	1.0
351.20105	100.0
352.20331	3.6
356.20731	2.8
369.21191	31.6
370.21161	0.6
374.21689	1.7
392.22806	13.6
393.23007	1.0
563.34247	0.9
661.41608	1.3
679.42798	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	677.3735
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.7
55.01858	1.6
55.05495	12.7
57.03429	6.5
57.07063	4.3
61.02918	24.4
63.59487	1.2
65.03937	1.4
67.05496	70.9
69.03410	4.0
69.07061	13.0
70.14405	2.8
70.14773	5.2
71.04983	1.9
71.08625	2.3
73.02911	8.7
77.17973	1.2
79.05484	41.4
81.03384	3.0
81.07042	74.3
83.04984	2.0
83.08595	5.3
85.02364	2.1
85.02888	33.4
85.06513	3.0
90.41505	1.4
91.03944	28.7
91.05470	23.9
93.07033	60.0
95.04948	3.5
95.08595	57.4
97.02879	13.6
97.06493	3.8
97.10150	2.3
99.04459	1.4
99.08092	2.9
105.07014	17.0
105.71312	1.2
107.08578	41.4
109.06526	1.8
109.10140	34.3
109.10841	2.6
111.11674	1.5
113.09655	1.9
117.07018	7.4
119.08559	14.9
121.10136	34.7
123.08059	1.7
123.11693	18.2
127.03899	9.1
131.08546	19.9
133.10104	14.7
135.11673	32.1
137.09602	1.7
137.13187	6.4
139.11189	2.5
145.04947	12.5
145.10089	16.7
147.11678	10.4
149.13234	25.3
151.11157	1.5
151.14774	2.9
159.11685	15.2
161.13280	13.1
163.06020	14.2
163.14781	13.1
165.12701	2.6
173.13216	17.7
175.14818	4.7
177.12733	2.0
177.16383	5.2
179.14249	1.8
187.14806	11.6
191.14191	1.5
201.16315	4.1
205.15964	1.3
215.11523	1.3
219.17378	1.5
233.22618	5.6
243.21065	33.2
261.22107	100.0
262.22449	2.2
263.23752	1.8
279.23071	2.4
317.24918	1.6
319.24426	1.4
335.25766	15.5
353.26825	27.3
409.56219	1.7
497.30441	1.8
551.61981	1.6
617.22223	3.7
645.21381	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	679.3892
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.1
55.01865	1.3
55.05507	23.6
57.03435	6.6
57.03657	1.2
57.07074	12.7
61.02918	17.5
62.68322	0.9
65.03931	2.6
67.05499	86.5
69.03418	2.6
69.07061	29.3
69.69244	2.0
69.69638	5.4
71.04992	2.2
71.08620	6.5
73.02909	8.0
73.12997	1.0
75.04469	1.7
75.53671	1.0
79.05486	21.1
81.03416	1.7
81.07049	100.0
82.07387	1.3
83.04993	1.9
83.08147	1.9
83.08616	25.1
83.09108	1.5
85.02893	19.8
85.06533	2.8
85.10161	2.5
91.03951	17.9
91.05468	18.8
93.07037	29.5
95.04975	1.8
95.08598	82.8
96.08911	1.5
97.02885	10.7
97.06527	6.3
97.10158	12.9
99.04427	2.4
99.08079	3.6
100.11272	2.5
103.03934	1.1
105.07030	12.9
107.08591	14.5
109.02853	1.0
109.06507	1.7
109.10149	41.2
111.08059	4.1
111.11715	5.9
113.09641	2.3
115.03973	1.0
119.08572	14.8
121.10131	23.9
122.10472	1.5
123.11690	22.9
125.09613	2.6
127.03934	6.2
127.11230	1.2
131.08534	1.2
133.10115	17.5
135.11667	15.0
135.86499	0.9
137.09608	2.2
137.13240	8.5
139.11177	1.4
141.12701	4.0
145.04939	9.8
147.11665	11.7
149.13254	12.7
151.11151	2.0
151.14815	7.9
153.12737	1.5
155.14294	4.6
161.13248	13.0
162.05765	1.1
163.05978	11.4
163.14787	13.4
165.12724	1.3
165.16365	10.1
167.14305	1.6
169.15860	1.3
175.14844	10.0
177.16415	2.3
179.14346	1.7
179.17963	9.7
181.15854	1.4
189.16312	4.9
193.05046	1.9
193.15973	1.3
203.17946	1.6
217.19458	1.9
242.78819	1.0
245.22626	76.8
246.22968	2.4
256.26511	1.2
257.26505	1.5
263.23682	95.0
264.24051	3.8
265.25165	2.1
281.24588	1.5
337.27341	79.6
338.27921	4.8
344.38193	1.2
350.14359	1.2
355.28372	9.1
371.26001	1.0
463.30518	1.6
499.32639	6.6
599.32343	1.2
678.54456	1.7
679.53888	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	672.4158
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05518	4.1
57.03423	3.8
57.07070	38.9
61.02917	12.8
67.05497	9.2
69.03417	1.6
69.07057	8.5
69.94140	3.5
71.04990	0.9
71.08234	1.7
71.08623	29.1
73.02903	5.2
75.04038	0.7
75.04469	2.7
77.06975	0.9
81.07046	13.5
83.08608	12.3
85.02894	19.7
85.10171	16.9
89.06020	1.0
91.03946	15.4
95.08598	22.6
97.02888	7.8
97.09644	0.9
97.10165	5.9
99.11693	1.6
109.02908	1.0
109.10143	11.7
111.11711	1.0
115.03921	1.5
123.11691	4.8
123.85518	0.9
127.03864	4.5
130.30084	1.0
137.13231	1.8
145.04956	8.2
151.14705	1.0
163.06012	13.2
221.22540	1.3
239.23674	24.8
248.32880	0.9
257.24753	3.8
313.27332	100.0
314.27621	2.0
331.28372	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	677.3711
Annotation	Unknow
Peak:m/z	Relative Intensity
51.45591	0.4
65.27100	0.4
67.05501	0.5
70.03014	0.9
70.03424	1.5
81.07013	0.4
100.18136	0.4
104.97103	0.4
116.55729	0.4
174.42018	0.4
185.04176	0.6
193.04768	0.5
235.59135	0.4
256.26373	0.5
299.25821	0.4
347.09503	1.3
484.18329	0.4
515.31879	25.6
516.32318	0.7
677.37085	100.0
678.37000	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.3732
Annotation	Unknow
Peak:m/z	Relative Intensity
50.73829	1.0
53.03936	3.0
55.05507	15.0
56.81800	1.3
57.03433	8.8
57.07055	5.2
59.04990	1.0
61.02617	1.2
61.02922	19.2
65.03934	3.1
67.05497	87.4
67.23855	0.9
68.46693	0.9
69.03410	2.9
69.06719	1.7
69.07060	15.0
69.99333	1.2
71.04978	3.1
73.02909	7.9
75.04479	1.4
76.78455	0.9
79.05481	50.1
81.03428	2.2
81.07046	100.0
83.04984	1.4
83.08611	8.4
85.02895	22.2
85.06530	4.5
91.03946	17.6
91.05466	25.4
93.07032	65.0
95.04942	4.0
95.08595	73.1
96.08916	1.0
97.02872	8.9
97.06519	3.7
97.10159	4.4
99.08067	3.2
105.07011	19.1
107.08578	40.4
109.06475	1.8
109.10144	41.2
111.08125	1.0
115.03952	1.7
117.07009	8.2
118.07214	1.2
119.08571	17.9
121.10134	34.7
123.08056	1.6
123.11693	19.9
125.09631	2.4
127.03926	6.0
129.06935	1.8
131.08557	22.5
133.10100	14.4
135.11674	31.2
137.09630	3.0
137.13237	8.6
139.11177	3.3
145.04944	7.7
145.10114	17.0
145.31746	1.2
147.11662	12.8
149.13231	23.4
151.11136	2.7
151.14789	3.9
153.12732	1.2
159.11685	15.7
161.13222	14.0
163.05988	12.8
163.11154	2.1
163.14796	17.4
165.12694	2.1
165.16368	1.7
173.13237	16.9
175.14825	5.5
177.12724	2.1
177.16425	6.5
179.14287	1.7
183.64258	1.1
187.14801	11.7
191.14252	2.0
201.16444	2.3
205.15813	2.4
215.17911	1.7
233.22595	3.5
243.21071	31.7
261.22104	99.5
262.22235	1.1
263.23660	1.4
279.23343	5.0
305.46542	1.0
317.24582	1.9
335.25726	37.1
353.26791	34.4
479.29266	1.1
497.31061	6.2
664.37177	1.1
666.45410	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	667.2969
Annotation	Unknow
Peak:m/z	Relative Intensity
50.66209	2.0
55.01868	2.1
55.05496	2.2
57.22930	1.9
60.04730	2.2
60.30894	1.8
60.50002	1.7
67.05489	3.2
69.03400	3.6
69.07055	4.9
69.39595	1.7
70.06585	15.0
70.68389	6.3
72.08139	4.3
79.05508	2.1
81.03410	2.0
81.07024	5.0
84.08135	4.9
85.02908	5.1
86.09689	6.3
91.05470	2.8
93.07048	3.6
94.06544	4.4
95.08591	4.1
97.02888	2.4
105.07070	2.0
107.04962	2.9
107.08604	2.3
109.10135	3.0
110.06037	1.9
118.06555	2.1
119.08580	2.4
120.08093	6.2
122.06010	11.1
123.11690	3.0
124.07564	3.9
127.03903	2.0
129.10268	2.2
132.57660	1.8
136.07579	17.4
137.05983	5.0
137.07898	2.0
140.07039	14.6
146.05980	4.6
146.09578	2.5
148.07565	7.1
152.07019	2.9
161.05966	2.1
162.05455	2.7
164.07050	33.8
166.08632	19.8
167.07072	7.2
172.03983	4.2
174.05522	5.0
176.07059	7.3
181.04987	2.3
182.08162	3.0
204.06531	5.4
210.11501	4.3
218.07858	2.3
236.13080	2.3
237.10216	8.6
237.13763	2.9
238.11058	5.1
239.11858	11.6
241.09746	2.4
249.10164	7.0
250.11024	5.8
251.11754	12.2
253.13332	2.7
255.11324	2.3
263.11810	20.9
264.08887	2.7
264.12396	2.9
265.09705	5.9
265.13345	29.7
267.11304	4.3
267.14719	2.1
269.12839	4.1
271.14468	2.7
277.09601	5.9
278.10413	3.5
279.11252	55.3
280.11838	3.8
281.12790	3.8
283.14059	2.2
287.13824	5.7
291.11191	7.6
292.11752	3.1
293.12848	9.2
295.10770	6.6
296.11444	2.3
297.12341	27.9
298.13080	4.1
303.13464	2.6
309.12350	51.5
310.13043	24.1
311.13861	34.9
312.14606	6.5
313.11841	6.6
313.15292	2.8
315.13272	3.1
317.06262	2.8
319.10721	7.1
321.12259	4.4
331.12454	3.4
337.11804	100.0
338.12592	30.7
339.13397	28.8
345.13971	2.7
355.13089	2.7
369.14468	21.5
370.14963	6.5
371.16125	11.3
400.16626	2.8
401.13437	8.0
418.62735	2.3
434.16806	2.8
446.68060	2.3
452.21829	62.7
453.21887	4.5
458.16861	4.1
476.17975	7.1
478.13171	3.8
478.19720	45.3
480.20721	2.6
494.19153	9.4
496.20685	12.3
497.21567	2.6
510.22327	48.0
511.22208	2.7
575.24805	3.3
599.25269	9.4
617.25800	12.8
635.27179	27.7
649.28265	2.2
667.29724	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	667.2602
Annotation	Unknow
Peak:m/z	Relative Intensity
50.96339	1.1
51.63029	1.1
52.69437	1.0
55.01859	3.2
65.51861	1.2
69.03409	2.6
70.06588	6.0
70.81207	2.7
84.04468	1.3
84.08125	1.5
85.02880	4.6
86.09702	2.5
94.06545	3.7
95.04946	1.7
97.02904	2.1
102.05531	1.3
107.04963	1.5
107.58289	1.2
108.04461	1.4
109.02905	1.6
110.06066	1.5
110.49979	1.1
112.07531	1.3
120.08112	2.3
122.06019	11.3
123.04368	1.2
129.10191	1.3
136.07594	1.5
140.07059	13.6
145.06378	1.1
146.05989	6.3
148.07573	8.7
150.05489	1.6
152.07138	1.6
160.03284	1.2
160.07623	1.5
167.07007	4.4
172.03908	1.6
172.07547	1.4
175.12236	1.2
177.05412	3.5
181.04929	4.2
186.09155	6.7
190.04987	9.3
202.10977	3.6
203.11818	6.1
209.08072	6.0
213.10178	2.0
214.08607	11.2
215.08165	4.3
215.11969	1.3
227.11649	1.8
228.10197	3.4
229.09660	1.8
230.10422	1.3
231.11217	4.2
232.09561	1.2
241.05176	1.7
241.09651	3.8
242.08081	2.4
243.11182	1.4
245.09203	2.9
245.12794	1.3
247.10669	1.4
255.11270	7.4
256.09705	2.6
257.12747	1.4
259.10767	79.9
265.36157	1.3
271.10703	1.4
273.12436	6.3
283.10742	3.2
287.10678	1.6
287.13718	6.9
301.11819	70.8
302.12045	1.4
313.11810	1.3
317.06497	3.9
319.12866	100.0
319.70547	1.2
320.13327	1.5
325.07059	2.8
326.07364	4.7
331.12875	3.2
337.13971	27.1
338.13589	1.3
391.03223	1.7
401.15601	2.1
419.17044	3.8
587.25214	2.5
605.26062	5.1
635.23212	1.2
681.50354	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	665.2811
Annotation	Unknow
Peak:m/z	Relative Intensity
52.23930	0.5
53.03924	0.8
64.80109	0.6
67.05479	1.3
67.27600	0.6
69.07066	4.0
70.06581	4.1
70.56655	1.1
70.57022	1.2
72.08135	1.0
76.67296	0.5
79.05512	0.9
80.04992	0.7
81.07061	1.0
84.04520	0.9
84.08140	2.2
86.09707	3.5
91.05492	1.0
93.05806	0.7
94.06567	6.9
95.04957	1.5
95.08585	0.6
97.06565	0.7
100.11266	0.7
102.31004	0.5
108.08111	1.6
109.69774	0.5
110.06013	1.2
112.07597	1.3
116.04993	0.8
117.07033	0.6
118.06510	1.0
120.04507	0.8
120.08066	1.3
122.06021	21.4
123.04415	0.9
124.07470	0.6
129.10187	0.8
134.05978	1.7
138.05521	0.7
140.07051	37.2
140.50375	0.5
141.07578	0.6
144.04422	2.7
146.05981	12.0
146.07101	0.9
147.06795	0.9
148.07513	2.9
152.07097	1.6
154.05035	1.0
154.08536	0.6
160.07538	1.2
162.05482	2.2
163.06306	0.9
164.07031	0.8
167.07011	4.1
172.03911	16.2
172.11267	0.6
173.04689	1.8
174.03970	0.9
174.05490	18.2
174.09157	0.6
175.05949	0.7
176.07063	9.6
181.05054	1.2
185.16466	0.7
187.12346	0.9
188.07104	0.9
190.04918	4.5
191.05736	3.2
192.06543	2.5
195.93008	0.6
197.07060	0.8
197.10724	1.2
198.07695	0.8
198.09317	0.8
199.08615	1.5
200.09337	0.9
201.10272	0.6
204.06543	30.3
206.08101	11.3
207.08781	0.6
211.08701	1.4
211.12277	0.9
212.09325	1.5
213.10181	3.1
214.10941	1.4
215.11797	3.2
216.10165	0.8
223.08728	1.0
225.10201	4.0
226.08702	1.1
226.11006	0.8
227.11731	1.1
235.08731	0.8
236.09486	1.1
237.10216	2.2
238.10880	1.0
239.11755	2.4
241.09641	3.6
243.11273	15.7
243.13632	1.0
244.09657	0.7
249.10284	2.1
250.10921	0.8
251.11935	1.6
253.09695	0.8
255.11295	1.3
256.12119	0.7
257.09216	1.0
259.10706	1.4
260.11227	0.7
261.12454	0.9
263.08124	1.0
263.11725	1.1
264.08929	1.3
265.09793	2.3
266.10641	1.4
267.11331	2.3
269.09262	2.3
271.05991	10.4
271.10754	1.6
272.11530	0.9
273.12228	1.1
277.09726	1.2
278.10400	1.1
279.11310	1.7
281.09293	1.1
283.10742	5.5
284.11609	1.8
285.12317	19.8
287.10312	3.6
287.14008	2.4
288.11371	0.9
290.13034	0.8
295.10687	0.7
296.11673	0.9
297.12366	1.2
299.10287	3.2
299.13669	1.2
300.11850	1.0
300.15103	1.0
301.11710	3.3
302.12497	1.6
303.13364	36.8
304.14200	2.0
308.11533	0.6
309.12384	0.7
313.11777	35.7
314.12433	1.8
314.16302	1.0
315.13638	1.1
316.10873	2.0
316.14484	1.9
317.15305	1.3
318.15933	4.4
319.16714	1.8
321.14474	1.0
323.10416	1.8
324.10904	1.0
325.11938	0.8
328.14603	0.7
329.11612	1.0
329.15466	1.1
330.08810	0.7
330.12384	2.5
330.15915	1.4
331.12918	12.8
331.16821	1.1
332.13834	1.7
332.17526	1.3
337.11969	0.7
339.13388	0.7
342.12433	1.2
343.13599	0.9
344.13965	3.2
345.14456	22.7
346.15442	5.9
347.16226	4.0
348.17264	0.9
354.12405	0.8
355.13129	1.3
356.14212	1.4
357.10837	0.9
357.14838	1.1
358.11862	1.1
358.15536	3.1
359.12381	0.7
359.16257	1.7
360.17145	3.8
362.15033	0.6
363.15683	1.9
368.14066	1.4
370.11664	1.3
370.15717	1.6
371.12823	1.8
372.13361	5.7
372.17267	0.6
373.14340	3.0
374.14825	5.2
376.16458	0.9
378.18073	1.7
384.13306	1.5
384.17511	1.1
385.14139	2.3
386.15002	8.5
387.15744	8.1
388.16550	6.7
389.17279	0.7
390.18356	0.9
396.13535	1.8
398.14926	1.1
399.14853	1.0
400.12427	1.2
400.17136	0.9
401.13516	1.4
402.14362	2.2
402.18732	1.3
404.15811	4.2
405.16965	2.2
406.17636	5.3
410.14978	0.7
412.16403	1.0
414.14297	8.8
414.18723	0.7
415.15201	17.3
416.16013	21.9
417.15930	2.2
418.17899	1.2
428.16113	3.0
429.16748	2.6
430.17679	5.6
431.18759	1.5
432.15427	2.7
433.16339	4.4
434.16702	4.4
438.14474	1.0
446.17130	7.5
447.17902	3.5
456.15439	5.7
457.16370	2.7
458.17090	1.4
460.15021	1.5
462.16663	1.3
464.18280	1.3
474.16559	28.6
475.17355	14.0
476.18069	6.2
489.18735	1.5
506.19141	4.0
507.19864	2.1
571.25366	1.7
573.23114	3.7
579.21381	0.7
597.23450	8.7
598.22668	0.7
615.24414	100.0
616.24854	6.8
629.25476	0.9
647.27686	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	665.2807
Annotation	Unknow
Peak:m/z	Relative Intensity
54.99498	0.8
55.01881	1.0
67.05486	2.1
67.57327	0.7
69.03417	2.2
69.07063	5.5
69.37923	7.6
70.06585	4.5
70.60102	0.7
72.08163	0.9
79.05482	1.3
80.05006	1.3
81.03399	1.6
81.07039	3.0
81.52489	1.0
84.08083	1.7
85.02898	2.5
86.09695	2.9
87.00819	0.9
91.05464	1.7
93.07024	2.3
94.06567	8.3
95.04958	2.6
95.08611	1.4
97.02892	2.1
97.06549	1.0
107.04955	1.1
108.08102	2.6
109.10127	1.6
110.06020	1.3
110.07156	1.0
112.07596	2.0
115.05514	0.9
116.04971	1.4
118.06517	1.3
120.08067	2.5
121.10109	2.0
122.05174	1.5
122.06020	25.0
123.04407	1.9
123.11710	2.1
124.07607	1.5
127.03917	1.2
127.28387	0.8
128.92365	0.8
134.05960	1.7
137.05956	1.9
140.07056	36.9
144.04425	4.5
145.06491	2.5
146.05997	14.7
147.06693	1.3
148.07526	2.9
160.07526	1.2
162.05479	3.3
163.06250	1.1
164.06989	1.1
167.07033	20.7
172.02530	1.6
172.03925	20.0
172.07657	1.3
173.04655	1.0
173.05989	4.1
174.05508	19.0
176.07063	10.3
177.05457	1.2
180.42909	0.9
181.04976	6.2
190.04974	4.8
191.05708	2.8
191.07190	1.3
192.06526	1.9
197.10745	1.1
198.09265	1.4
199.08617	1.9
201.10248	1.3
204.06540	35.9
206.08080	11.2
209.08536	0.8
211.08607	2.3
211.12210	1.7
212.09181	1.1
213.10210	3.0
215.11768	2.6
216.10246	1.4
224.09406	1.7
225.10211	4.0
226.08675	1.1
227.08147	1.0
227.11627	1.3
229.09567	1.0
233.08142	1.8
236.09282	1.3
237.10159	2.5
238.10945	1.3
239.11807	2.3
241.09654	3.2
243.11296	15.6
249.10129	3.5
251.11821	2.5
253.09492	1.3
254.10516	1.1
255.11275	2.3
257.09238	1.0
257.12842	2.6
259.10767	1.5
261.12308	2.1
263.09073	1.0
263.11765	3.8
264.08820	1.1
265.09756	3.7
265.13385	1.1
266.10205	1.1
267.11142	1.7
269.09161	1.5
270.09802	0.9
271.10721	2.5
273.12289	1.0
277.09744	1.5
279.11353	2.0
281.08981	1.3
281.12717	0.9
283.10715	6.2
284.06705	1.1
284.11450	1.7
285.12323	17.7
287.10217	3.3
287.13815	3.2
291.10950	1.1
295.10715	1.8
297.07300	1.3
297.12384	1.8
299.10272	3.5
299.13708	1.4
300.11340	1.7
301.11673	3.0
302.12726	1.7
303.13385	37.2
304.14175	2.9
309.12332	2.5
313.11801	34.5
313.15433	2.0
314.12875	1.7
314.16537	1.4
315.13391	2.0
316.10950	2.1
316.14526	2.5
317.15271	1.2
318.15973	2.6
319.16705	2.4
321.14319	2.3
323.10181	1.9
323.13608	2.1
326.12756	1.1
327.08676	2.9
327.13690	1.2
329.11652	1.7
330.12308	3.0
330.15933	1.3
331.12921	14.0
332.13773	2.0
332.17569	1.2
336.10904	1.3
337.11526	1.1
342.12161	1.8
343.13452	1.8
344.14041	3.8
345.14438	24.1
346.15488	5.4
347.16205	4.0
355.13565	1.3
358.11539	1.3
358.15375	3.8
360.16989	3.3
363.15329	2.9
367.12634	1.9
368.13968	1.9
369.14362	2.6
370.11542	1.9
370.15591	2.0
371.12521	3.0
372.13354	7.3
372.17255	1.5
373.14053	4.2
374.14966	4.4
378.18103	2.1
384.13138	1.9
384.17377	1.4
385.14194	2.7
386.14822	9.9
387.15744	8.4
388.16833	5.0
396.12912	1.4
399.14441	1.0
400.16730	1.8
401.13501	1.1
402.14084	2.5
402.18646	1.4
404.16104	4.5
405.16711	3.3
406.17520	6.0
407.18393	1.3
411.15219	1.1
412.16528	1.7
414.14401	9.5
415.15247	16.6
416.16040	22.2
417.15741	5.5
418.18173	1.7
428.15820	2.7
429.16803	1.7
430.17612	4.9
431.18234	1.6
432.15521	2.6
433.16165	4.5
434.17041	6.4
446.16968	7.3
447.17725	2.4
456.15430	6.1
457.16098	2.6
460.14807	1.4
474.16556	27.3
475.17288	16.1
476.18002	7.3
489.18301	1.3
506.19009	4.8
507.19644	2.5
508.20639	2.7
510.22702	1.4
571.26062	1.4
573.23071	3.5
597.23517	9.1
615.24414	100.0
616.24902	6.1
647.26819	4.8
665.20313	3.4
665.30682	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	665.281
Annotation	Unknow
Peak:m/z	Relative Intensity
58.73067	0.8
63.14284	0.8
65.38408	0.8
67.05489	2.1
68.05011	1.0
68.23396	0.8
69.03407	1.2
69.07073	4.7
69.37292	4.8
69.37718	2.3
70.06564	3.2
70.60506	0.7
72.08154	1.1
72.14226	0.8
79.05509	1.2
80.04990	1.1
81.03400	1.7
81.07029	1.0
83.06081	1.0
84.04449	1.0
84.08133	2.2
85.02878	1.9
86.09686	3.2
91.05451	1.5
93.05752	0.9
94.06549	9.4
95.04944	1.7
97.06535	1.0
106.04192	0.9
106.06530	1.1
106.60860	0.8
107.04922	0.8
108.08115	4.2
110.06013	1.3
112.07586	2.1
115.05437	1.5
116.04973	2.0
117.06950	0.9
118.06460	1.2
120.08089	4.1
122.06017	27.3
122.06903	1.5
123.04424	1.7
124.07538	1.1
127.60987	0.7
134.05989	2.1
136.07550	1.1
137.05977	1.2
140.07048	43.5
144.04439	3.2
145.06421	1.5
146.05994	20.3
147.06703	1.2
148.07550	3.4
152.07083	1.5
153.35469	0.8
160.07516	1.3
162.05463	3.1
163.06247	0.9
164.07111	1.7
166.08643	2.2
167.07022	18.0
170.09567	1.1
172.03922	24.1
173.04634	1.9
173.05978	2.2
174.05498	21.0
176.07051	11.5
177.05455	2.7
181.04970	5.5
182.66876	0.8
185.10567	0.8
187.08748	1.2
188.07150	0.9
190.04886	4.9
191.05705	2.7
192.06569	2.9
195.34157	0.9
197.10745	1.7
198.09262	1.3
198.11475	1.9
199.08688	2.0
201.10237	1.3
204.06538	46.8
205.06960	1.8
206.08092	16.0
211.08623	2.8
211.12308	1.7
212.09229	1.4
213.10210	3.6
214.10973	1.1
215.11810	3.5
224.09297	1.6
225.10202	5.0
226.08556	1.2
227.11777	2.0
233.08125	0.9
235.12207	0.9
237.10188	2.4
238.10944	1.1
239.11760	2.7
241.09656	2.2
243.11269	18.1
248.09315	1.4
249.10234	5.8
250.11005	1.2
251.11739	3.4
252.08578	1.0
253.09787	1.7
254.10431	1.1
255.11301	2.1
256.12201	1.0
257.12799	1.6
258.10025	1.1
259.10699	1.6
261.12274	2.9
263.08414	1.1
263.11755	18.9
264.08670	1.2
264.12338	1.7
265.09705	3.9
265.13193	1.4
266.10388	1.4
267.11179	2.2
269.09094	2.5
269.12827	0.9
271.10764	3.1
273.12250	1.0
277.09558	5.1
278.10135	0.9
279.11197	7.8
280.12024	1.1
281.12802	1.3
283.10730	7.6
284.11325	2.0
285.12305	21.1
287.10269	4.0
287.13885	3.6
288.10840	1.2
289.12653	1.0
290.10184	1.3
291.11215	6.9
292.11932	1.6
295.10938	4.8
296.11472	1.6
297.12244	3.3
298.13229	1.3
299.10217	3.2
299.13922	2.4
301.12051	3.1
302.12668	2.1
303.13361	49.0
304.14218	3.5
305.14975	1.5
307.10651	1.7
309.12317	6.8
310.12851	1.1
311.10239	1.0
311.13770	2.8
313.11786	39.2
314.12341	1.5
315.13535	2.5
316.10773	2.8
316.14380	2.2
317.15182	1.5
318.09875	1.4
318.16013	3.1
319.16599	2.4
323.10370	1.6
323.13812	11.5
324.10925	1.2
324.14435	2.1
325.11801	1.6
327.13486	1.3
328.14212	2.5
329.11386	1.4
330.12457	4.5
331.12912	15.7
331.16580	1.1
332.13538	2.7
332.17358	1.5
336.11029	9.7
337.11719	6.4
338.12512	1.0
340.14349	1.4
342.15918	0.9
343.13589	1.4
344.13956	4.4
345.14444	25.3
346.15430	8.2
347.16220	6.5
355.12750	1.4
356.13907	2.9
357.11322	1.6
358.11743	2.7
358.15604	3.6
359.16473	1.5
360.16965	4.2
363.15524	2.4
367.12787	6.2
368.13733	8.6
369.14456	11.1
370.11136	1.5
370.15674	5.1
371.12485	3.3
372.13309	6.9
373.13940	5.4
374.14883	6.3
374.19055	1.0
378.17844	0.9
384.12906	1.0
385.14191	3.1
386.14899	10.2
387.15756	12.4
388.16602	9.2
390.18320	1.4
400.12222	1.5
400.16794	1.9
401.13663	2.6
402.14029	2.4
402.17953	2.9
404.15912	5.1
405.16678	3.6
406.17630	7.4
410.15060	0.9
414.14316	10.4
415.15213	18.1
416.15991	27.7
417.15765	5.1
418.17450	2.5
419.18335	1.1
428.16064	3.2
429.16522	2.0
430.17648	6.3
431.18127	1.9
432.15521	3.5
433.16312	5.4
434.17059	8.4
446.17044	7.0
447.17587	3.1
456.15717	4.4
457.16211	2.7
458.16589	1.3
460.14804	1.1
464.21783	1.3
474.16565	38.5
475.17307	19.5
476.18121	10.3
478.19339	2.9
489.18890	1.7
490.19717	1.5
493.18271	1.2
494.18954	1.4
499.35767	1.1
506.19083	5.1
507.19894	2.2
508.20761	17.3
509.21048	2.0
510.22189	7.8
526.21899	1.3
571.24695	1.4
573.23260	5.5
597.23248	9.4
615.24408	100.0
616.24707	10.3
629.26099	1.6
647.26514	3.8
665.20514	2.6
665.31458	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	665.2064
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	0.9
55.01849	0.9
55.05492	0.5
57.03406	0.6
61.02879	0.4
65.03911	1.2
67.05469	1.0
69.03094	0.4
69.03413	3.7
69.07048	0.9
70.06580	1.8
71.04956	0.8
71.52993	0.8
72.08134	0.7
73.02917	0.6
78.04674	1.5
79.05448	1.4
81.03419	2.9
81.07013	0.6
82.00550	0.3
82.04160	0.7
84.04452	0.7
84.08112	0.7
85.02904	5.3
86.09676	1.7
87.00819	0.8
91.05449	0.9
93.03366	0.5
95.04937	0.8
97.02874	1.4
97.06513	0.6
99.04414	1.2
99.39410	0.5
103.05442	1.5
105.03374	0.6
106.04128	1.3
107.04963	2.2
109.02846	1.6
110.03646	0.5
111.04435	0.4
115.05434	3.0
117.07006	5.5
120.08075	1.7
122.06029	0.5
123.03598	0.4
123.04422	5.4
124.05173	2.5
125.05910	0.7
127.03886	2.2
127.05400	0.7
129.10149	0.4
131.04924	0.6
134.03569	0.5
135.11739	0.4
136.07574	0.6
137.05916	0.9
138.03050	0.5
142.02603	0.7
145.04910	0.5
145.05182	0.5
145.06467	8.8
147.07985	0.4
151.03844	1.4
152.04657	1.6
153.05397	0.6
155.04921	0.5
155.06006	2.7
161.05940	0.6
167.07021	100.0
168.07394	0.8
171.06509	1.2
173.05971	17.2
173.67522	0.4
175.07521	1.2
177.05437	0.6
181.04941	24.8
187.06003	0.6
191.07045	1.4
201.05476	1.3
204.06549	0.6
205.08592	4.7
207.06500	1.0
207.09964	0.4
209.08122	0.7
217.08580	1.3
219.06413	0.5
221.08081	0.6
225.07826	0.5
231.10104	0.4
233.08084	5.8
235.09624	4.8
243.11287	1.1
245.08200	1.0
247.09741	0.7
247.21710	0.4
257.07950	0.4
259.09637	0.5
261.12350	0.8
263.06650	0.5
263.09189	0.7
275.09067	0.7
277.10724	0.7
279.29608	0.4
287.09756	0.4
295.10275	0.4
303.13464	1.4
305.10342	0.5
315.13315	0.6
317.06665	1.1
318.06985	1.1
321.14484	3.1
337.10913	0.6
339.12582	0.4
341.05640	0.4
342.14676	0.4
355.11945	0.5
356.07639	0.8
357.08054	1.2
358.09235	1.4
367.11868	1.6
369.13452	1.4
381.13440	1.0
383.14917	1.4
387.14371	11.9
387.19220	0.7
395.14951	1.6
399.14294	4.2
399.27603	0.4
411.14493	1.2
415.14877	0.4
417.15402	24.5
429.15466	0.4
441.15668	1.0
459.16437	1.9
474.16891	0.4
579.20496	0.8
615.24060	0.6
621.22021	1.5
665.20837	20.5
665.30493	0.9
666.20142	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	663.3945
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	4.0
55.01862	3.9
55.05509	17.4
57.03435	19.9
57.07074	8.1
59.04984	0.9
60.41076	0.6
61.02923	68.8
65.04752	0.6
66.43534	0.6
67.05503	20.4
69.03428	27.4
69.07066	27.7
71.01350	2.4
71.04987	5.2
71.08629	5.1
73.02505	1.2
73.02914	24.6
75.04477	2.7
79.05489	10.4
81.03414	25.4
81.07056	21.7
81.07532	1.4
83.01324	1.5
83.04980	3.9
83.08617	16.8
85.02902	90.7
85.06537	0.9
85.10178	2.0
86.03242	0.8
87.04466	3.7
89.24875	0.6
91.03953	53.1
91.05476	2.4
91.98029	0.6
93.07040	10.7
95.04958	2.2
95.08601	23.3
97.02888	73.5
97.06544	2.3
97.10157	12.8
99.04449	13.1
99.05035	1.2
99.08038	1.2
101.02382	7.2
103.03937	9.7
105.07018	1.5
107.04927	1.2
107.08591	7.7
109.02875	12.4
109.06512	1.4
109.10152	11.1
109.10854	1.1
111.04456	1.9
111.08065	2.6
111.11729	4.5
115.03927	7.2
117.05516	2.3
119.08564	1.6
121.10130	12.9
123.11710	3.7
125.05949	0.6
125.09620	1.6
127.03911	31.1
129.05484	6.1
135.11687	10.0
137.06020	1.1
137.13252	1.3
139.11153	1.4
139.14857	0.8
141.05453	0.9
145.04955	21.9
147.06557	1.1
149.13300	3.9
151.14816	1.2
153.12781	1.0
155.07028	1.4
159.06525	3.2
163.06009	5.9
163.14796	2.1
165.05568	0.7
165.16391	1.3
167.14310	0.9
171.06532	2.5
173.13023	0.7
177.16376	1.2
183.06505	11.9
201.07570	9.5
209.18839	0.7
219.08626	1.1
223.07596	0.7
229.19417	0.9
247.24190	9.0
263.23700	1.2
265.25250	21.6
266.25888	0.8
283.26242	1.9
319.26248	0.8
331.26346	1.1
337.27246	2.7
339.28925	100.0
340.29266	3.4
345.27762	0.9
349.27319	1.7
355.26233	1.8
357.30051	0.9
365.26788	0.7
367.28470	4.9
373.27390	3.8
381.29898	3.5
391.27982	1.6
409.29398	2.0
411.30975	1.4
423.30914	2.0
447.30960	5.0
465.32275	4.7
483.33154	13.1
501.34143	3.3
663.39398	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	665.2064
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	0.9
55.01849	0.9
55.05492	0.5
57.03406	0.6
61.02879	0.4
65.03911	1.2
67.05469	1.0
69.03094	0.4
69.03413	3.7
69.07048	0.9
70.06580	1.8
71.04956	0.8
71.52993	0.8
72.08134	0.7
73.02917	0.6
78.04674	1.5
79.05448	1.4
81.03419	2.9
81.07013	0.6
82.00550	0.3
82.04160	0.7
84.04452	0.7
84.08112	0.7
85.02904	5.3
86.09676	1.7
87.00819	0.8
91.05449	0.9
93.03366	0.5
95.04937	0.8
97.02874	1.4
97.06513	0.6
99.04414	1.2
99.39410	0.5
103.05442	1.5
105.03374	0.6
106.04128	1.3
107.04963	2.2
109.02846	1.6
110.03646	0.5
111.04435	0.4
115.05434	3.0
117.07006	5.5
120.08075	1.7
122.06029	0.5
123.03598	0.4
123.04422	5.4
124.05173	2.5
125.05910	0.7
127.03886	2.2
127.05400	0.7
129.10149	0.4
131.04924	0.6
134.03569	0.5
135.11739	0.4
136.07574	0.6
137.05916	0.9
138.03050	0.5
142.02603	0.7
145.04910	0.5
145.05182	0.5
145.06467	8.8
147.07985	0.4
151.03844	1.4
152.04657	1.6
153.05397	0.6
155.04921	0.5
155.06006	2.7
161.05940	0.6
167.07021	100.0
168.07394	0.8
171.06509	1.2
173.05971	17.2
173.67522	0.4
175.07521	1.2
177.05437	0.6
181.04941	24.8
187.06003	0.6
191.07045	1.4
201.05476	1.3
204.06549	0.6
205.08592	4.7
207.06500	1.0
207.09964	0.4
209.08122	0.7
217.08580	1.3
219.06413	0.5
221.08081	0.6
225.07826	0.5
231.10104	0.4
233.08084	5.8
235.09624	4.8
243.11287	1.1
245.08200	1.0
247.09741	0.7
247.21710	0.4
257.07950	0.4
259.09637	0.5
261.12350	0.8
263.06650	0.5
263.09189	0.7
275.09067	0.7
277.10724	0.7
279.29608	0.4
287.09756	0.4
295.10275	0.4
303.13464	1.4
305.10342	0.5
315.13315	0.6
317.06665	1.1
318.06985	1.1
321.14484	3.1
337.10913	0.6
339.12582	0.4
341.05640	0.4
342.14676	0.4
355.11945	0.5
356.07639	0.8
357.08054	1.2
358.09235	1.4
367.11868	1.6
369.13452	1.4
381.13440	1.0
383.14917	1.4
387.14371	11.9
387.19220	0.7
395.14951	1.6
399.14294	4.2
399.27603	0.4
411.14493	1.2
415.14877	0.4
417.15402	24.5
429.15466	0.4
441.15668	1.0
459.16437	1.9
474.16891	0.4
579.20496	0.8
615.24060	0.6
621.22021	1.5
665.20837	20.5
665.30493	0.9
666.20142	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	663.2654
Annotation	Unknow
Peak:m/z	Relative Intensity
55.47398	0.9
55.72729	0.8
65.25542	0.9
67.05495	1.9
69.03407	1.3
69.07056	3.7
69.49119	3.7
69.49545	4.1
70.06584	4.5
72.08183	1.4
79.05483	1.2
81.07050	2.1
83.05002	1.0
84.04484	1.0
84.08143	3.2
85.02894	1.7
86.09708	4.4
91.05492	1.1
93.06461	0.9
93.07053	1.8
94.06572	2.8
95.04959	2.0
95.08601	2.2
96.04414	1.1
98.20776	1.2
107.08608	2.0
108.47899	0.9
117.53067	0.9
120.08080	2.5
121.10166	1.8
122.06004	5.0
124.35576	1.0
125.06075	1.1
137.05988	2.0
140.07037	5.1
146.05968	1.8
148.07547	1.3
151.07623	1.3
152.07053	1.2
160.07605	1.4
172.03989	0.9
211.08759	1.6
221.10889	2.0
223.08598	1.1
225.10254	1.5
235.08643	3.8
236.09470	3.7
237.10231	4.5
248.09460	2.2
249.10213	23.2
250.11043	5.6
251.11790	14.3
252.12627	2.0
255.11084	1.3
261.10254	2.6
262.10968	1.5
263.08221	2.8
263.11792	4.4
264.12601	3.9
265.09744	5.5
265.13266	2.2
267.11151	1.2
271.10632	1.1
275.10907	1.2
277.09668	11.5
278.10355	3.6
279.11215	9.1
281.09302	3.6
283.10745	1.3
286.10886	1.4
287.10410	1.0
289.09726	1.5
291.11349	3.8
293.13022	1.1
295.10696	3.5
297.12335	3.7
301.12097	3.4
309.12369	8.0
310.13184	4.4
311.14227	6.1
312.14886	1.7
313.11880	2.1
314.12964	2.4
315.10217	1.5
315.13797	2.5
316.11035	1.4
316.14468	2.5
319.13214	1.4
323.10217	9.9
323.13962	6.6
324.14734	1.8
325.12201	1.6
325.15695	1.3
326.13016	1.5
326.16602	2.7
328.10861	6.4
328.14444	3.0
329.11804	6.2
329.15250	2.1
330.12540	1.8
330.16064	3.9
331.13092	1.2
335.10071	1.3
337.11847	2.4
338.12701	1.8
339.13763	2.3
340.14453	4.1
341.11987	3.0
342.12436	7.0
342.16159	1.7
343.13306	6.4
344.10446	2.0
344.13992	11.8
345.14688	1.9
352.14465	2.1
354.12164	2.3
354.16101	3.9
355.12939	7.1
355.16943	1.2
356.13876	10.1
357.14807	5.4
358.11649	1.9
358.15469	7.0
367.13095	2.2
368.13824	3.8
369.14993	1.9
370.11679	2.9
370.15860	4.9
371.12363	2.4
371.16321	3.7
372.13211	6.5
372.17191	3.8
373.13791	1.7
373.17871	4.9
374.14880	2.8
375.15750	1.2
379.18533	1.0
380.14087	2.2
381.14633	1.1
382.11475	1.4
382.15811	2.5
383.12347	1.9
383.16602	2.7
384.13431	4.3
385.13803	1.7
385.17822	3.0
386.14615	8.5
386.18829	2.6
388.12845	3.1
388.17056	1.4
396.13474	5.3
397.20538	2.3
398.14944	3.9
399.15665	4.5
400.12021	7.7
400.17587	7.0
401.13577	1.4
402.14435	4.0
403.15164	2.4
404.16394	5.3
410.15009	1.6
412.13071	1.9
414.13889	11.3
414.18945	2.1
415.15408	1.4
416.16196	5.7
417.17474	5.0
418.17432	4.2
418.22507	1.2
426.14355	3.8
427.15063	1.4
428.16089	9.2
430.13953	3.5
431.15616	1.6
432.14960	6.1
433.16312	1.3
442.17926	8.5
444.15576	5.2
445.16330	5.9
446.17267	7.8
454.13989	11.1
455.14502	3.6
456.15384	3.0
460.19046	16.6
461.19385	1.2
472.15082	12.8
473.15732	32.8
474.16583	50.8
475.17136	1.5
476.18231	9.5
477.18924	4.9
487.17697	2.0
488.18146	4.2
490.16345	2.4
491.16882	1.8
492.17383	8.6
504.17642	20.9
505.18411	100.0
506.19174	46.9
507.20197	1.3
522.18567	3.0
523.19501	16.4
557.26678	1.2
595.21320	7.1
613.22919	21.1
614.23322	1.4
627.24762	4.9
631.23578	4.2
645.25421	26.5
646.25525	1.4
663.26788	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	662.3172
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00870	0.8
55.01886	1.3
58.58502	0.8
58.99623	0.8
61.82287	1.0
64.71830	0.8
68.05037	4.5
69.05811	4.1
69.07067	5.8
70.06570	3.7
70.81633	2.3
84.04498	18.5
84.08140	1.0
86.09700	36.0
91.05469	3.9
93.07043	1.3
96.04467	1.4
98.06087	1.0
101.15332	0.9
103.05464	5.8
105.07005	5.8
107.04981	1.0
110.07173	1.5
114.05529	3.0
114.93784	0.8
117.84946	0.9
119.04925	5.0
120.08096	67.1
123.09174	1.8
124.03954	5.7
129.07013	1.5
130.06531	2.1
131.07336	2.3
132.08110	1.6
134.05978	6.9
135.06821	4.5
135.07761	0.9
136.07568	5.5
137.05959	10.0
141.06972	1.4
147.04463	1.5
151.05063	1.0
151.08636	5.3
153.06544	1.7
157.06488	6.8
163.08694	1.1
163.12320	1.2
169.06444	6.7
171.08061	1.7
174.09140	14.0
175.07520	4.0
179.06874	1.8
179.08192	19.2
181.06120	2.2
186.09123	22.5
187.07562	1.9
187.09427	0.9
188.14310	12.6
189.06638	1.0
191.08115	2.0
192.08936	1.5
196.07494	1.4
196.09610	1.9
197.05960	1.7
203.11778	4.0
206.09238	6.0
207.07651	12.9
213.10191	2.0
214.08575	1.3
217.08591	2.8
231.11212	1.4
233.16476	5.5
234.11288	1.2
246.11288	1.1
260.69711	0.9
261.13052	0.9
261.15961	1.6
263.13983	1.3
269.12827	1.6
274.15482	11.6
297.12363	3.0
298.14410	1.5
314.14978	15.2
319.69611	1.1
320.16052	13.0
324.13428	2.6
325.11697	9.4
342.14453	70.7
343.12613	8.9
353.10999	1.0
357.14297	1.2
374.17160	2.5
384.15610	1.0
385.13815	1.1
401.17960	3.2
402.16565	100.0
403.16995	3.5
421.22305	3.6
449.21783	2.4
469.24390	2.5
476.21777	2.0
487.25504	3.5
504.21133	2.1
515.25146	5.7
549.23389	38.4
550.22943	1.2
616.31134	2.3
617.29749	2.3
634.32251	16.0
644.30585	13.7
662.31976	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	661.1454
Annotation	Unknow
Peak:m/z	Relative Intensity
50.08240	1.2
56.16217	1.0
61.81750	1.1
69.03411	3.7
69.85123	1.0
71.52466	1.3
71.52863	1.1
81.03416	3.1
82.99844	2.1
85.02893	6.3
86.99346	1.2
89.03928	1.2
94.99876	1.6
97.02871	5.0
98.97551	3.0
101.00858	9.5
105.00362	1.8
109.02880	6.1
113.00882	2.4
116.98597	1.9
117.03377	2.7
117.43188	1.0
117.98391	1.1
119.01910	33.4
121.01696	1.1
127.02382	1.7
127.03893	2.2
130.23717	1.0
131.01898	17.7
133.03430	2.4
135.04402	4.1
137.02921	5.4
139.02406	1.2
142.03511	1.1
143.01872	23.1
145.02692	4.1
145.03439	12.5
145.04616	2.1
145.05054	1.3
147.01360	1.9
147.04298	1.6
149.02942	8.8
155.01871	31.2
157.03471	9.2
158.99756	1.6
159.04987	1.5
161.02942	35.8
161.05899	1.7
163.03876	95.6
164.04265	2.0
167.01855	7.1
169.03465	5.4
171.05037	3.6
173.02950	95.3
174.03111	2.8
175.04504	3.3
177.00775	1.3
177.05466	4.7
179.01866	3.2
181.03461	1.2
184.04518	1.5
185.01122	3.0
185.02939	51.4
187.04478	7.2
189.02448	1.8
189.05951	1.4
191.03952	4.8
193.08554	1.3
196.04572	4.0
197.02940	19.0
197.04581	1.8
198.03091	1.3
199.04576	3.5
203.01999	4.2
203.03995	22.0
205.03609	2.5
207.05101	1.9
208.04771	1.4
209.02977	3.1
215.03993	16.8
217.01926	4.1
217.03867	2.7
217.07291	1.5
219.01778	2.5
221.02945	93.3
221.04980	7.5
222.03185	2.6
226.05565	1.4
227.03976	11.9
233.03177	1.5
237.02740	1.6
239.04013	23.5
244.04550	3.5
245.02911	9.8
245.05063	100.0
246.05270	3.2
246.39395	1.3
247.04610	8.7
247.06679	2.6
249.05786	1.7
251.04179	1.5
257.02661	2.7
257.05072	28.0
258.05219	1.2
259.06732	2.7
261.02826	1.5
263.03986	32.6
263.06238	9.4
265.05551	2.8
269.05057	2.1
273.04559	4.1
275.03860	6.6
275.06372	20.4
276.04205	1.4
277.05679	1.2
281.05032	84.7
282.05243	3.7
283.06390	2.4
291.05539	4.4
293.04462	7.8
293.07681	2.6
295.06561	2.6
299.06305	22.4
301.04156	2.3
304.06714	7.7
305.07324	12.6
307.06552	2.8
309.08014	1.4
311.06134	12.9
317.04977	5.0
319.02933	6.0
319.08737	2.6
321.10260	4.5
323.06049	27.0
323.09622	2.1
325.07309	1.5
335.05643	3.1
335.08905	1.9
337.09738	1.5
341.07205	3.3
347.06281	3.1
351.05621	1.5
353.07004	5.5
362.59650	1.3
365.06946	48.1
366.07208	1.5
379.05060	22.9
379.09778	1.8
383.08179	50.8
391.04950	4.2
395.08307	1.6
397.06100	12.1
406.09778	2.3
407.10349	5.7
409.06311	5.6
409.11404	1.2
420.07489	1.8
421.06409	2.5
425.09766	1.5
426.04779	1.1
437.10983	1.4
439.06906	8.0
441.08725	1.4
481.07520	5.7
499.09222	14.3
545.13593	10.2
661.14185	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	659.3822
Annotation	Unknow
Peak:m/z	Relative Intensity
54.55889	0.4
56.96505	14.9
56.96805	1.2
63.53500	0.5
68.88186	0.4
69.96417	1.0
69.96832	1.6
71.95195	2.0
72.95973	1.3
74.14954	0.4
74.97546	1.2
84.95978	1.2
97.96780	2.7
98.97514	0.9
110.97550	1.4
115.97761	1.9
116.98568	0.9
128.98579	3.8
131.00090	0.7
133.98776	1.2
143.00101	0.5
145.01631	0.6
146.99658	3.6
147.03174	0.5
149.01183	0.6
155.03674	0.8
160.00385	1.2
161.01152	0.9
165.00630	1.0
167.03728	0.5
169.01695	0.6
171.03217	1.4
173.01109	1.3
175.02682	0.8
183.03145	0.8
184.24451	0.5
185.01175	0.7
185.04843	2.7
185.98341	0.8
187.02681	1.1
189.04274	1.5
190.04878	0.4
195.06888	0.7
196.87660	0.4
197.04787	0.6
198.05576	0.9
199.02684	1.5
199.06374	2.1
201.04263	1.2
202.01424	0.7
203.05890	4.2
205.07413	1.1
211.06303	0.5
213.04268	0.9
213.07962	3.8
215.05869	0.6
216.03090	0.9
216.06595	1.4
217.03751	1.3
217.07434	4.2
219.05341	0.7
221.06758	0.6
223.06505	0.7
223.08203	0.6
223.10161	2.5
224.07021	0.8
225.07887	1.5
226.08728	0.9
227.05817	1.6
227.09485	0.9
229.07191	0.5
231.05373	0.6
231.08968	4.7
232.09508	0.6
237.04239	1.8
237.07880	0.8
238.04892	0.6
239.05838	0.5
239.09488	6.5
241.07314	1.0
241.11076	32.2
242.08188	2.8
242.11298	0.6
243.08917	1.3
244.06190	0.7
244.09660	0.9
245.06937	0.6
245.10571	0.8
249.07767	0.9
251.09537	1.4
253.11006	2.4
255.05444	0.9
255.09015	1.7
257.06680	0.5
257.10571	5.2
259.12152	42.5
260.09210	2.3
260.12262	0.6
261.07858	0.6
262.08676	0.7
262.11115	0.7
264.12714	3.6
267.08990	2.1
269.06778	0.6
269.10577	4.7
270.11285	0.8
271.12170	1.6
273.10074	1.0
277.13165	0.6
279.08963	2.5
280.09720	3.0
281.10583	0.8
282.13815	2.7
285.10089	2.2
287.11551	2.4
289.87442	0.6
292.12268	0.5
297.10132	5.6
298.10785	4.0
299.11481	1.1
307.15585	2.4
312.08624	0.5
315.11163	0.8
316.11975	3.6
320.11685	0.5
321.12390	0.9
325.16888	1.0
331.15717	10.5
337.16983	0.9
349.16794	59.0
350.17166	1.9
367.17874	100.0
368.18158	2.0
372.18457	2.4
376.55893	0.5
385.18893	6.2
390.19455	20.6
391.19662	0.7
641.37122	0.7
659.38202	38.3
660.38452	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.3627
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02368	1.2
53.03944	6.5
55.01859	3.4
55.05509	10.9
55.87127	1.0
57.03432	21.9
57.07067	2.1
61.02921	78.8
63.57813	0.8
65.03936	2.1
67.05500	35.5
69.03423	28.7
69.03770	0.6
69.07065	8.2
69.79991	3.3
69.80401	2.4
71.01341	4.2
71.04993	4.8
73.02907	24.1
74.31522	0.8
75.04491	1.6
77.23440	1.0
77.30774	0.9
79.05486	27.3
81.03410	23.7
81.07047	37.0
83.01312	1.6
83.04986	4.7
83.08588	3.8
85.02898	100.0
85.06538	1.4
87.04448	4.1
87.27140	0.8
87.39435	0.9
88.07506	0.9
91.03946	57.3
91.05471	15.2
92.05837	1.0
93.07034	28.8
95.04959	5.7
95.08596	29.6
97.02882	74.3
97.06516	2.4
97.10172	1.6
99.04449	11.3
101.02361	8.3
103.03951	7.6
105.07021	11.8
107.04898	0.9
107.08585	15.3
109.02876	11.8
109.06525	2.0
109.10148	10.6
111.04420	3.7
111.08085	1.3
115.03907	5.4
117.05465	3.9
117.06987	4.5
119.08549	9.1
121.10135	13.1
123.08092	1.7
123.11703	6.2
125.09597	1.1
127.03905	32.6
128.91968	0.8
129.05473	5.0
129.06973	1.1
131.08557	7.5
133.10123	9.2
135.08049	1.1
135.11678	9.0
137.05917	0.9
137.09578	1.5
137.13242	1.8
143.08562	2.1
145.04944	21.2
145.10112	7.0
147.11671	6.2
149.02330	2.1
149.13223	5.5
155.06987	0.9
155.08444	1.0
157.10068	2.1
159.06534	1.4
159.08093	0.9
159.11691	5.6
161.13245	5.2
163.05984	7.6
163.14754	3.0
171.11667	1.9
173.13284	4.8
175.14780	1.5
177.16454	1.3
183.06429	4.4
185.13300	1.1
187.14769	3.0
193.04984	2.0
197.13332	1.1
201.07564	3.5
243.21075	4.4
259.20587	1.5
261.22110	13.6
277.21753	0.9
279.23386	0.9
335.25769	51.4
341.24304	1.0
351.04895	1.0
363.25357	2.2
369.24091	2.9
377.26938	1.3
387.25427	1.2
443.27771	2.7
461.29147	1.2
479.29926	6.9
497.30759	1.5
614.95599	0.9
659.35632	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	656.3842
Annotation	Unknow
Peak:m/z	Relative Intensity
53.19487	5.3
55.05491	22.4
56.21945	6.2
57.03420	10.5
57.07056	20.2
61.02927	28.1
67.05482	35.1
69.07067	38.8
71.08632	7.8
71.52472	11.8
73.02916	10.9
73.70512	6.8
77.62272	5.7
79.05475	25.6
81.07062	44.1
83.08618	32.4
85.02903	34.9
91.03949	32.1
93.07047	34.4
94.60835	5.7
95.08611	29.0
97.02864	12.9
97.06518	27.2
97.10135	14.4
107.08575	24.5
109.10119	25.4
111.08073	7.0
116.09988	5.6
121.10107	62.8
123.11678	22.4
127.03899	11.5
135.11674	51.2
139.11182	7.6
145.04910	13.3
149.13199	22.0
163.05911	14.5
205.19496	69.2
223.20558	94.5
241.21555	46.6
243.73184	7.3
297.24249	36.1
315.25272	100.0
419.65329	8.4
459.29770	7.4
607.32361	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	658.3578
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05486	0.6
55.69825	0.2
56.05018	0.4
57.07069	6.8
58.06594	2.3
60.04470	0.2
60.86483	0.2
61.02900	0.2
65.03925	1.0
67.05495	0.3
68.05003	0.5
69.03419	0.2
69.07056	0.3
70.06584	19.6
70.58578	0.4
70.58910	0.2
71.08289	0.2
71.08620	2.6
72.08114	0.6
74.06057	0.4
74.95427	0.2
84.08109	0.6
85.10152	0.8
88.07619	21.9
97.02882	0.2
102.09165	16.7
103.05421	0.3
105.03374	0.6
119.08512	0.2
121.02785	0.3
131.04901	0.7
132.10147	0.3
139.03857	0.7
146.11743	0.5
147.04411	0.7
149.02322	42.4
150.02695	0.5
175.03908	1.4
177.05453	1.2
180.04091	0.3
191.07016	0.6
193.04939	51.6
194.05353	0.6
201.46198	0.2
212.23683	0.7
219.06499	1.5
225.05446	0.9
237.07552	14.4
256.26318	47.0
257.26666	0.8
269.04456	1.8
297.03897	2.6
300.28906	2.4
313.07025	2.6
341.06516	11.0
343.08099	0.7
349.16608	0.5
359.07544	7.5
385.09119	23.6
386.09537	0.7
403.10379	0.5
429.11771	29.5
430.11792	0.7
596.32153	0.6
640.34369	1.7
658.35760	100.0
659.36035	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	655.3894
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	0.7
55.05507	4.9
57.03427	4.9
57.07072	49.6
60.17638	0.7
61.02643	0.9
61.02922	11.4
67.05499	12.3
69.03403	1.8
69.07063	8.8
69.61102	4.4
71.08626	38.6
73.02912	4.3
75.04463	2.7
77.85001	0.6
81.07053	18.4
83.04964	0.8
83.08614	14.9
83.09090	0.5
85.02898	10.8
85.06540	0.7
85.10176	22.1
89.06010	1.6
91.03946	11.7
91.05492	0.9
93.07053	0.9
95.08603	29.9
97.02875	6.0
97.10162	7.1
98.21547	0.6
98.41484	0.7
99.04402	0.7
99.11720	1.9
103.07583	0.7
109.09441	0.5
109.10142	13.7
111.11688	1.9
123.11694	4.9
125.13235	1.6
127.03950	4.2
137.13223	2.6
145.04926	4.8
151.14854	1.2
163.05994	6.3
192.11905	0.6
209.78503	0.7
221.22777	1.2
239.23685	26.9
257.24780	3.0
310.64252	0.7
313.27344	100.0
314.27692	3.1
331.28384	14.8
346.33774	0.7
475.32602	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	656.3431
Annotation	Unknow
Peak:m/z	Relative Intensity
68.05020	0.5
69.07057	0.6
69.59431	2.4
70.06586	100.0
86.09699	15.3
91.05473	13.5
91.06023	0.9
93.07043	1.8
93.37109	0.4
95.04965	0.5
97.07655	2.1
98.06049	3.7
103.05481	1.8
105.03429	1.2
106.06584	0.4
107.04938	2.0
109.07644	1.3
111.04387	0.5
115.08705	1.6
118.06532	13.2
119.04931	5.0
119.07311	1.5
120.08098	6.1
121.06491	23.4
122.06776	0.6
125.07096	2.8
126.05504	1.4
130.06551	0.8
131.04872	0.5
132.08182	0.5
136.07567	42.9
137.07091	9.5
138.08185	0.5
138.09131	3.2
144.55292	0.4
146.05995	29.0
147.04413	2.3
152.08223	1.7
153.08961	6.4
166.07753	0.6
170.09689	0.8
172.11205	13.3
174.05559	0.8
174.12778	0.7
178.07872	0.7
180.65776	0.4
181.09976	0.8
187.12317	1.6
193.10240	1.2
199.12311	2.3
207.12341	0.5
209.09779	0.5
215.11931	0.8
216.12549	3.3
217.13318	3.6
221.09599	10.9
224.10719	0.6
225.10272	1.7
226.12312	1.8
227.11702	0.5
231.11275	0.8
231.14903	5.8
233.12820	13.7
236.10785	0.5
238.12270	3.2
243.11263	3.1
243.14996	0.8
251.17548	5.6
254.12943	1.1
256.14392	0.5
259.14398	23.7
260.14612	0.7
261.12326	9.8
266.11649	0.7
277.15433	5.0
322.18112	0.7
339.20770	1.9
340.29422	0.5
349.08707	0.5
351.20795	2.2
362.18527	4.4
368.23441	0.7
380.19757	0.9
388.16620	1.6
396.22778	5.5
406.17581	44.8
407.17813	1.5
424.22430	2.8
465.29019	1.4
493.28055	15.1
493.35397	0.8
494.28629	0.6
519.26294	1.1
612.35077	0.6
638.33179	0.6
656.34363	31.9
657.34479	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.1652
Annotation	isorhamnetin 3-O-(6"-O-feruloyl)-glucoside
Peak:m/z	Relative Intensity
50.01590	0.1
51.02370	0.1
53.03933	0.3
55.01867	0.2
57.03417	0.2
62.01580	0.2
62.37558	0.1
63.02380	0.5
69.03426	1.9
70.06554	0.2
70.58524	0.4
70.58873	0.1
71.04982	0.2
78.04688	0.4
81.03410	3.6
85.02892	0.7
86.09657	0.1
89.03906	6.9
90.04237	0.1
91.05478	0.6
92.02585	0.2
93.03417	0.3
95.04958	0.3
97.02865	0.5
99.04454	0.4
103.05460	0.4
104.42964	0.1
106.04167	0.4
109.02872	1.2
117.03367	20.7
118.03700	0.3
119.04891	0.2
121.02844	0.2
121.06472	0.2
124.05178	0.2
126.03108	0.1
127.03925	0.9
129.04495	0.2
131.04808	0.1
134.03621	1.4
135.04402	1.5
137.05952	0.1
139.03891	0.2
145.02829	48.7
146.03162	1.1
147.04369	0.2
149.05960	7.0
151.03908	0.2
153.01817	1.2
158.06035	0.3
162.03131	0.4
163.03925	0.7
177.05450	100.0
178.05791	2.0
186.05496	1.3
195.06454	1.2
201.05452	0.2
203.03439	0.2
228.04128	0.3
229.04904	0.7
245.04303	0.1
246.05270	0.3
257.04413	0.4
261.07669	0.3
273.03894	0.4
274.02008	0.1
274.04596	0.8
279.08618	0.2
285.03845	1.0
302.04187	2.3
317.06528	18.8
318.06775	0.5
321.09653	5.9
335.25488	0.1
339.10703	2.4
340.11133	0.2
359.07449	0.2
360.45749	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	655.1652
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00298	0.2
53.03942	0.4
55.01855	0.3
55.05525	0.3
56.08355	0.2
63.02370	0.6
65.03931	0.4
67.05490	0.2
69.03423	2.1
70.06580	1.2
71.04986	0.4
72.08128	0.6
78.04703	0.5
79.05510	0.2
81.03410	2.2
81.07055	0.4
84.08118	0.4
85.02899	1.6
86.09689	0.9
89.03907	7.5
91.05466	0.9
92.02588	0.3
93.03405	0.5
93.07033	0.4
95.04917	0.3
95.08602	0.3
97.02855	0.6
99.04415	0.3
103.05468	0.5
105.07000	0.3
106.04170	0.5
107.04920	0.2
107.08609	0.3
109.02856	1.0
109.10178	0.2
110.52724	0.2
117.03364	24.5
118.03718	0.2
120.08080	0.3
121.02843	0.4
121.10139	0.4
123.04362	0.2
124.05178	0.3
127.03903	0.8
134.03609	2.0
135.04413	2.0
136.07597	0.2
137.05949	0.8
138.04309	0.2
139.03908	0.5
145.02827	54.1
146.03145	1.2
147.04369	0.3
149.05960	8.2
151.03876	0.5
151.07640	0.2
153.01797	3.1
155.08228	0.2
158.06061	0.5
163.03900	0.9
163.07521	0.3
164.45520	0.2
165.01793	0.2
167.06995	0.6
170.41910	0.2
173.05936	0.3
175.07503	0.6
176.07861	0.4
177.05446	100.0
178.05798	1.8
183.14977	0.2
186.05472	1.9
187.07462	0.4
195.06552	0.5
196.99118	0.2
201.05484	0.5
203.03430	0.3
205.05038	0.2
205.08557	0.5
206.08835	0.2
207.06502	0.3
217.05000	0.4
217.08591	0.2
218.08871	0.2
228.04140	0.6
229.04996	1.2
235.09627	0.3
245.04387	0.5
246.05145	0.5
257.04410	0.9
261.07593	0.3
273.03958	0.6
274.04694	1.6
279.08466	0.2
285.03909	1.5
302.04205	5.1
303.04285	0.3
317.06522	41.7
318.06812	1.6
321.09659	3.2
329.06705	0.2
330.83371	0.2
331.07806	0.2
339.10651	1.3
354.14111	0.3
359.07568	0.7
372.15189	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.1653
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02376	0.2
51.62075	0.2
53.03933	0.5
55.01864	0.2
57.72918	0.1
63.02380	0.3
67.05491	0.2
69.03432	1.4
69.07063	0.3
69.17674	1.9
70.06589	2.1
78.04697	0.4
79.05489	0.2
81.03413	3.2
81.07054	0.6
84.08131	0.4
85.02892	1.6
86.09694	0.8
89.03909	6.3
91.05452	0.8
92.02612	0.2
93.07024	0.6
95.04960	0.2
95.08586	0.5
97.02882	0.5
99.04453	0.5
99.94399	0.2
104.03764	0.2
105.03436	0.2
105.07043	0.2
106.04156	0.4
107.04925	0.2
107.08601	0.3
109.02863	0.9
109.10169	0.4
110.07159	0.2
117.03368	18.9
118.03682	0.3
118.06561	0.2
118.13284	0.2
119.04919	0.2
119.08633	0.2
120.08078	0.2
121.02885	0.2
121.06493	0.4
121.10142	0.4
121.41805	0.2
123.11734	0.2
124.05223	0.4
125.06014	0.2
127.03877	0.7
129.10391	0.2
134.03622	1.5
135.04414	1.6
135.11676	0.2
136.07568	0.5
137.06023	0.4
139.03899	0.3
145.02834	48.6
146.03169	1.3
146.06004	0.4
147.04384	0.3
149.05972	6.5
150.06262	0.2
151.03873	0.3
151.07426	0.2
153.01802	1.5
158.05983	0.5
161.05940	0.2
162.03043	0.3
163.03905	0.7
165.09045	0.2
167.06993	0.5
177.05452	100.0
178.05777	2.4
186.05481	1.9
195.06500	1.0
196.84962	0.2
201.05521	0.2
207.06729	0.2
215.06793	0.2
217.04936	0.2
229.04939	0.6
246.05167	0.5
255.30310	0.2
257.04370	0.6
260.03369	0.2
268.64621	0.2
273.03979	0.3
274.04620	0.7
285.04132	0.8
285.06882	0.2
302.04190	2.5
317.06534	18.1
318.06885	0.5
319.95883	0.2
321.09662	6.3
339.10736	2.7
359.07541	0.4
406.17328	0.4
575.92523	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.1649
Annotation	isorhamnetin 3-O-(6"-O-feruloyl)-glucoside
Peak:m/z	Relative Intensity
50.01592	0.1
53.00297	0.1
53.03930	0.4
57.03419	0.2
62.01607	0.1
63.02376	0.5
69.03421	1.9
70.06589	0.3
70.68915	0.4
71.04994	0.2
72.08137	0.1
78.04700	0.3
81.03413	3.7
84.04506	0.1
84.08128	0.1
85.02889	1.2
86.09648	0.1
89.03907	6.9
91.05470	0.6
92.02628	0.2
93.03423	0.2
93.07061	0.2
95.04955	0.2
97.02888	0.4
99.04455	0.3
103.05447	0.3
105.03368	0.2
106.04152	0.4
109.02876	1.1
110.07134	0.2
117.03369	20.5
118.03716	0.4
118.75198	0.1
119.04907	0.2
121.02825	0.2
124.05204	0.4
125.27579	0.1
127.03910	0.6
134.03603	1.4
135.04417	1.2
145.02831	49.3
146.03169	1.0
147.04332	0.1
149.05965	7.2
151.03905	0.2
153.01796	1.7
158.06070	0.3
162.03123	0.1
163.03882	0.6
177.05452	100.0
178.05807	2.0
186.05461	1.1
195.06497	1.2
201.05467	0.3
203.03461	0.2
217.04941	0.2
220.75223	0.1
228.04135	0.3
229.04904	0.7
231.02937	0.2
245.04332	0.3
246.05226	0.4
257.04477	0.5
261.07520	0.2
273.03879	0.4
274.04736	0.8
281.12463	0.1
285.03864	1.0
286.04425	0.1
301.03250	0.2
302.04196	2.7
317.06531	18.7
318.06845	0.7
321.09647	6.1
322.10010	0.4
329.06686	0.2
331.08112	0.4
339.06613	0.2
339.10706	3.2
345.72925	0.1
359.07593	0.3
541.54053	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	654.2386
Annotation	Unknow
Peak:m/z	Relative Intensity
50.73227	0.4
53.03944	1.8
55.01860	2.1
57.03415	1.0
59.96194	0.3
61.02899	0.8
65.03930	0.5
67.05486	0.5
68.99784	0.6
69.03420	6.0
70.06571	1.2
71.04958	0.9
71.52444	0.5
72.08128	0.4
73.02890	1.1
78.04692	1.4
79.05481	2.9
80.04982	0.4
81.03410	5.5
81.07041	0.7
84.08124	0.4
85.02898	12.0
86.09683	0.4
87.00813	3.9
91.05476	4.8
93.07045	0.4
95.04951	1.3
97.02879	4.2
99.04440	2.7
103.03915	0.4
103.05451	1.9
105.01228	0.6
105.01826	2.7
105.07037	4.2
106.04150	1.2
107.04945	7.0
108.04476	1.9
109.02869	4.3
109.06546	0.5
111.04408	0.4
115.03939	0.4
115.05451	2.0
117.01865	0.6
117.06988	1.4
118.04118	0.8
119.04881	1.8
119.08621	0.8
120.07961	0.4
121.06487	1.6
122.03668	0.6
123.04405	3.8
124.05190	3.1
125.06023	0.6
126.05495	1.0
126.37206	0.4
127.03899	6.9
128.06194	1.3
129.01791	0.8
129.06992	5.6
131.04916	3.1
132.05688	1.4
133.06479	4.0
135.04404	0.5
136.05115	0.8
137.05927	2.1
137.09584	0.4
141.06958	0.5
144.05646	0.9
145.02821	0.6
145.04962	2.5
145.06483	1.7
147.02843	0.5
147.08051	2.5
149.05992	1.0
151.03888	1.4
151.07545	2.2
152.04654	2.0
153.05472	2.0
155.04919	0.8
155.07030	0.8
156.05632	0.7
157.06429	0.8
159.02885	2.7
159.08035	4.4
160.05164	1.1
161.05965	8.4
162.06664	0.4
163.07434	0.8
165.06924	0.4
167.07016	100.0
168.07382	1.4
169.06500	0.5
171.08084	0.6
172.05157	1.2
173.05954	0.6
175.07532	19.7
176.04678	0.5
176.07875	0.5
177.05498	3.6
177.09119	0.9
178.07741	0.9
179.07028	6.8
179.08571	0.7
181.08565	1.0
187.07515	17.8
189.07123	0.5
189.09061	1.5
191.06999	8.1
191.08490	0.5
193.08580	3.5
193.10136	0.7
199.07481	5.6
201.09000	0.5
202.07761	1.1
203.08551	1.8
205.06650	0.6
205.08582	2.5
205.10223	0.5
206.07239	1.5
207.06346	0.6
207.08063	0.6
209.07944	2.0
213.03897	0.4
215.08525	0.7
217.06670	0.6
217.08464	2.1
218.07213	1.6
219.08022	1.6
220.08717	0.8
221.09619	2.9
223.09700	0.7
229.08504	0.8
230.06680	0.5
231.04930	1.6
231.08003	1.4
232.08778	0.8
233.05934	0.4
233.09636	1.7
234.06657	2.1
235.07474	1.2
237.09068	0.6
238.09834	0.4
241.08595	0.6
245.05911	0.6
246.06767	1.0
247.07547	1.0
248.07924	1.5
249.09077	4.8
250.09856	1.2
251.06984	1.4
259.07455	1.0
260.08215	0.8
261.09000	2.2
262.06180	0.8
263.06979	0.8
265.08624	1.1
266.09326	1.4
275.07016	0.7
276.07764	0.5
277.08539	3.3
278.09323	1.2
279.06573	0.7
279.10010	0.6
281.08850	0.4
281.11691	8.3
283.09583	0.4
289.08560	2.4
290.09311	0.6
291.06674	0.4
291.10254	0.8
293.08325	0.7
293.11774	1.1
294.08783	1.4
295.09650	1.4
305.07944	0.4
306.08926	1.2
307.09503	1.2
308.10162	0.4
309.11169	7.3
310.11853	0.9
311.09128	0.6
321.11234	4.8
322.11783	0.5
324.13278	0.5
326.11447	3.0
329.05826	0.5
338.11331	0.5
339.12268	0.5
340.12595	0.4
341.13803	36.8
342.14081	1.5
345.11243	0.8
347.07489	2.9
351.12204	1.3
353.13785	16.4
354.14111	0.9
355.15540	0.5
359.14951	3.5
363.12134	0.5
365.13974	1.9
371.14865	6.7
377.13806	0.6
383.15039	0.7
389.16144	0.4
395.14923	0.5
431.14859	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	651.2654
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	0.7
67.05493	2.5
68.05019	1.1
69.03408	0.7
69.06731	0.7
69.07070	7.5
69.54662	1.7
69.55073	4.3
70.06597	3.9
72.08123	1.9
84.04487	1.1
84.08129	2.1
85.02907	1.7
86.09688	2.6
87.20399	0.7
91.93932	0.8
94.06559	13.7
95.04959	2.8
98.20731	1.0
101.18085	0.7
106.06604	0.8
108.08109	2.0
110.06004	1.1
112.07575	3.3
120.08100	3.4
122.06020	46.2
123.04404	2.3
129.10255	0.9
132.72472	0.8
134.06017	1.4
136.07599	1.3
137.06004	1.0
140.07051	67.9
145.02869	0.8
146.05984	7.1
148.07561	74.7
149.07957	1.0
150.09093	1.1
152.07040	1.2
160.07553	0.9
167.06972	0.9
172.03871	1.5
174.05516	3.3
174.09142	0.7
176.07068	1.7
177.05481	0.9
185.16542	0.8
190.05080	3.5
192.06497	1.1
193.35893	0.8
197.10751	1.8
198.09126	1.8
199.08620	0.9
209.10495	0.7
213.10289	2.8
215.11748	3.9
225.10193	2.8
229.09708	1.8
239.11734	1.2
241.09677	1.0
243.11278	14.2
251.11836	1.0
253.13379	0.8
255.11348	1.7
257.12762	1.0
259.10971	1.3
260.11166	0.8
261.12326	1.6
266.10376	0.8
267.11298	1.5
271.10739	2.7
273.12378	2.5
283.10806	2.6
285.12283	8.9
287.13876	100.0
288.14151	2.1
289.11899	2.2
290.12732	0.9
299.13922	1.1
301.11896	1.3
302.12363	1.0
303.13354	47.6
304.14114	2.8
305.14963	2.8
311.13702	0.7
312.14581	1.0
313.11865	6.6
318.15952	3.6
319.13037	1.1
319.16684	2.5
321.14365	0.9
331.12805	3.2
331.16556	1.0
332.13782	0.9
340.14108	1.0
344.13922	1.8
345.14459	1.0
346.15536	2.3
347.16040	4.1
348.16800	1.1
356.13947	0.9
358.15646	1.5
360.17087	2.5
362.18698	0.9
374.15042	1.5
378.18204	3.4
379.18802	0.9
386.14774	1.1
387.15753	1.4
388.02356	1.0
388.16681	1.9
389.17255	1.1
406.17654	5.5
408.18988	1.3
414.14285	2.2
415.15195	2.7
416.15842	2.3
418.70340	0.8
420.19122	1.0
421.19821	0.9
430.17532	1.9
431.17957	1.1
433.16440	1.4
434.17316	1.0
439.88638	0.8
448.18561	11.0
449.19513	4.3
450.20126	1.6
456.15707	1.0
474.16577	4.0
475.16916	1.1
571.24805	1.2
589.26526	18.4
597.22980	1.3
615.24463	10.7
624.02167	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	649.2484
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	0.6
55.01866	0.7
55.05491	0.7
57.03431	3.0
65.03922	0.6
66.04699	0.5
69.03409	1.4
69.50144	2.7
70.06583	1.0
71.01302	0.3
71.04986	17.7
72.08157	0.5
73.02907	1.0
75.04470	1.8
79.05470	1.5
81.03419	0.6
81.07044	1.4
82.11752	0.4
83.04960	1.8
84.04462	0.3
84.08133	0.5
85.02900	26.6
86.09680	0.7
87.04464	0.6
87.86900	0.3
91.05490	3.0
94.04176	2.7
95.04952	0.4
97.02877	1.3
99.04437	0.6
103.05459	1.2
104.06245	0.5
105.07027	4.7
107.04945	1.4
109.02850	0.6
109.06522	2.0
111.04419	1.4
115.05457	3.5
117.07027	1.4
119.04890	1.0
119.08569	1.8
120.08126	0.7
121.06539	0.6
122.03635	6.3
127.03892	0.8
128.06184	1.6
129.05472	6.0
129.06935	2.0
129.10262	0.5
131.04886	2.1
131.08546	0.5
132.05702	2.0
133.06476	4.4
137.05965	100.0
138.06268	0.7
143.04932	0.7
144.05663	0.7
145.04979	0.6
145.06465	1.1
146.03676	0.7
147.04410	1.6
147.06509	1.3
147.08038	3.3
149.05969	2.0
151.07524	1.5
155.04901	0.6
156.05682	0.5
157.06525	0.4
159.08025	2.5
160.05200	1.6
161.05977	13.6
163.07527	1.6
165.07047	0.5
167.07019	0.6
171.08034	0.5
172.05164	0.9
173.91634	0.4
175.07530	29.7
177.05424	1.1
178.07655	0.4
179.07016	1.5
182.59056	0.4
184.05190	1.6
185.05956	0.6
187.07530	9.7
189.07091	0.6
189.09042	0.9
190.07738	1.8
191.06963	0.9
191.08539	6.4
195.08006	0.4
199.07547	8.9
202.07756	2.8
203.08562	4.4
204.09242	0.6
205.06552	0.6
207.08047	1.0
208.08803	0.9
215.08548	0.6
217.08607	1.3
218.07324	1.2
219.08038	10.4
219.10147	0.7
220.08810	2.6
221.09518	0.5
227.16510	0.6
230.07288	0.8
231.08012	5.8
232.08847	1.3
233.09554	0.4
234.06897	0.4
235.07510	0.8
235.11143	0.8
236.08290	1.6
237.09134	0.6
241.08665	0.5
246.06711	0.4
247.07555	5.8
248.08293	3.2
249.09178	0.6
251.10645	13.1
259.07513	3.5
259.10046	0.5
260.08249	1.7
261.09155	1.4
263.10620	3.7
264.07794	1.0
265.08585	0.9
273.09290	0.4
275.06952	0.7
276.07788	2.3
277.08585	2.3
279.10150	9.7
280.10889	1.0
281.08038	0.8
283.09589	0.4
283.13272	0.4
289.08722	0.7
291.10135	10.5
292.10794	2.4
293.08136	0.7
295.09769	0.6
295.13000	0.7
296.10403	0.8
300.88995	0.4
301.11841	0.8
303.09909	0.5
308.10425	1.6
309.11240	0.7
311.12738	36.0
312.13004	0.4
321.11127	0.9
323.12747	20.7
325.14380	0.7
335.12747	1.0
337.14682	0.8
341.13824	2.0
347.12665	0.8
353.14017	0.5
365.13809	0.8
439.17624	0.9
473.18518	0.6
649.34210	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	649.3703
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	1.6
55.01862	1.4
68.05028	3.6
69.07058	4.2
70.06584	4.2
71.52251	2.4
84.04504	13.2
84.08144	1.9
86.09708	21.6
91.05482	2.1
93.07072	3.1
94.02995	1.2
96.04507	1.6
99.16784	1.5
103.05445	5.1
105.07037	6.1
108.08172	1.5
120.08095	37.4
121.06494	23.8
123.09219	1.8
124.03954	3.4
128.06177	2.3
129.06612	3.8
131.04861	1.3
132.08170	1.3
143.08534	2.5
151.08682	7.7
151.48418	1.5
159.08046	10.0
171.08028	18.4
179.08141	30.5
188.10709	5.3
188.14316	8.4
190.59106	1.5
191.08054	1.9
198.09145	3.3
199.07602	1.3
206.09305	5.2
206.65343	1.6
207.07631	23.3
233.16397	2.6
264.75690	1.3
274.15463	9.3
285.16177	1.5
299.13895	7.2
309.12369	5.1
316.16522	5.2
320.16019	13.8
327.13351	25.6
343.17334	1.5
343.24051	1.4
344.16040	100.0
345.16440	2.3
411.24039	1.5
429.25107	1.6
446.20779	3.3
450.54575	1.6
457.24826	1.9
491.22931	21.7
576.31866	9.1
586.30273	28.9
604.21704	2.6
604.31268	53.4
605.31354	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	648.3018
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	1.1
56.05032	0.4
57.05787	0.3
57.16911	0.3
59.58036	0.3
68.05024	3.6
69.05804	3.9
69.07059	5.3
69.20919	0.2
69.21262	3.4
70.06583	1.5
73.40703	0.2
77.03934	0.3
78.39488	0.3
79.05469	0.7
84.04494	13.5
85.21589	0.3
86.09694	42.8
87.10004	0.5
89.17623	0.3
91.05464	2.9
93.07024	2.1
95.04955	0.6
96.04495	1.1
97.06482	0.3
98.06033	0.4
98.21531	0.5
103.05451	7.6
105.07014	4.7
107.04987	0.5
108.08102	0.6
114.05481	1.5
115.05456	0.4
117.06986	0.6
118.06555	0.6
119.04918	1.8
119.07313	0.5
120.08087	91.3
121.06495	0.9
121.08424	0.9
123.04434	1.4
123.05484	0.3
123.09167	1.2
124.03936	5.4
128.06197	0.4
129.06714	1.5
130.06508	1.8
131.04903	0.6
131.07291	2.7
132.08092	0.8
134.05998	7.7
135.06787	6.3
135.09201	0.5
136.07568	3.8
136.11217	0.4
137.10768	0.3
141.06969	0.9
144.08087	0.5
145.06502	0.5
146.06021	0.5
146.09639	0.6
149.60126	0.3
151.05054	0.8
151.08653	4.3
152.08168	0.4
153.06558	2.7
157.06480	2.4
159.08020	0.9
161.05954	2.7
163.08617	0.7
163.12256	2.1
165.05457	0.8
169.06458	3.1
169.09669	0.4
171.08067	1.1
173.05946	0.6
174.09120	13.2
175.69797	0.3
178.09669	0.3
179.08127	12.6
181.06044	2.5
181.09776	0.7
182.08156	0.5
184.07487	0.5
185.05925	0.4
186.09117	17.5
187.09523	0.4
188.08228	0.5
188.10712	0.5
188.14313	9.1
189.06570	1.1
191.08195	0.7
196.07584	0.5
200.14099	0.3
203.07040	4.0
203.11740	2.5
206.09258	5.6
206.11082	0.2
207.07622	15.6
213.10188	3.4
214.08661	0.4
215.07126	0.3
220.09671	2.9
220.14410	0.8
231.11284	1.2
232.09668	1.1
233.16447	11.6
238.12253	0.7
240.10187	0.9
240.13864	1.3
248.13879	0.6
249.12302	1.9
259.10925	0.4
261.15958	3.8
266.15152	0.5
269.12860	0.4
274.15475	9.2
276.17029	0.5
277.05704	0.3
279.11047	0.3
284.12827	0.3
297.12271	1.5
302.14914	0.5
306.49237	0.3
307.10870	0.4
307.17938	0.3
308.14096	0.5
314.14938	14.9
317.45148	0.3
319.17416	1.5
320.16003	12.4
324.13351	2.7
325.11719	2.0
329.14935	0.5
342.14429	100.0
343.14667	2.5
352.12872	0.4
360.15466	2.1
362.20569	0.7
370.13947	0.6
371.12482	0.7
387.16620	1.8
388.14969	69.5
389.15283	2.3
396.18912	0.4
410.20660	0.6
416.19870	0.5
421.22134	3.8
444.18964	1.1
446.20441	0.6
449.21805	2.5
455.22812	4.6
462.20444	0.6
473.24060	1.8
489.21362	0.5
490.19672	2.0
501.16052	0.4
501.23386	8.8
502.23700	0.5
517.21222	0.6
535.21826	43.5
536.21741	1.8
537.27191	0.6
558.30792	0.7
571.13251	0.3
575.28400	1.1
602.29938	1.3
603.28192	2.5
620.30670	11.7
621.30579	0.4
630.29089	14.0
631.29279	0.9
648.30139	22.5
649.30347	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.4051
Annotation	Unknow
Peak:m/z	Relative Intensity
52.02565	0.5
54.25079	0.4
58.99832	1.0
64.85354	0.4
68.28301	0.4
69.43919	0.5
71.13848	1.2
73.72189	0.5
77.00901	5.5
81.07007	1.4
83.04914	0.4
95.01940	6.0
105.07000	0.5
109.06454	1.9
109.82882	0.5
117.52802	0.4
118.03436	0.6
119.08506	0.5
131.01863	2.1
136.87090	0.5
144.02621	0.7
147.05022	0.6
149.02858	0.7
167.05516	0.7
171.04953	1.1
178.95862	0.5
185.06592	14.1
187.08099	1.0
199.08253	0.7
201.09718	1.5
203.07613	6.6
207.12291	0.9
208.08090	1.4
209.10086	0.8
215.11223	1.9
217.10736	0.6
221.06621	0.7
221.10129	0.7
223.11752	1.5
225.09785	1.0
225.13379	5.9
227.11203	2.3
235.08125	0.7
239.11266	1.3
241.12859	2.6
243.14410	44.0
244.11731	0.9
244.14592	2.4
248.14909	1.6
251.11110	0.8
253.12857	1.4
257.12320	2.1
261.15454	13.4
263.11230	4.1
264.11942	1.3
266.15982	3.8
271.13788	1.0
281.09366	0.7
281.12335	8.8
282.13031	2.3
283.13849	1.1
300.14087	0.8
309.15451	1.4
309.19034	0.6
315.18088	2.4
333.19061	17.2
333.23080	0.9
334.19421	0.7
351.20129	100.0
352.20386	4.4
356.20642	0.6
369.21063	0.7
374.16910	0.9
374.21716	16.9
375.21783	0.9
595.05463	0.5
625.39325	1.7
643.40448	19.7
644.40381	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	642.2916
Annotation	Unknow
Peak:m/z	Relative Intensity
51.35865	0.2
53.03938	0.7
55.01873	0.5
56.95836	0.3
65.02224	0.3
65.63666	0.3
68.05013	0.5
69.31797	2.7
70.02944	0.4
70.06586	88.9
71.06905	0.5
71.65105	0.2
73.06158	0.3
80.05012	0.3
81.03396	0.7
88.03987	6.9
89.03921	0.4
91.05474	15.2
93.07042	3.4
95.04977	0.9
95.06074	1.7
97.07650	1.3
98.06033	0.5
103.05461	6.4
105.03391	1.7
105.07021	0.8
106.06561	0.4
109.07633	0.9
110.02380	0.8
110.04818	0.4
115.05454	0.5
115.08670	0.5
116.04993	1.1
117.03403	0.4
117.05779	1.4
117.07013	0.3
118.06534	30.4
119.07367	2.4
120.08093	45.7
121.06493	31.7
122.06877	0.6
124.07658	0.4
124.08726	0.9
125.07102	18.8
128.05006	0.5
130.06526	2.4
131.04929	1.1
132.08064	0.5
136.07666	0.4
136.08707	0.9
137.07085	6.4
138.07883	2.4
138.09138	4.9
138.10138	0.3
144.08084	0.8
145.02844	0.4
145.07635	0.4
146.05995	59.6
147.06332	0.6
149.07091	3.2
150.05536	0.5
150.06613	3.2
150.07887	1.5
151.07492	0.6
151.08670	0.9
152.08192	2.1
153.06583	0.4
157.07626	0.6
158.06039	0.6
164.07018	0.7
164.08224	1.4
165.06860	0.6
165.07460	0.5
165.08968	8.7
166.07809	0.3
166.09775	0.8
167.07010	0.4
167.08220	2.1
168.06561	0.7
170.09726	0.5
171.07661	1.7
171.08952	0.3
172.07614	0.4
172.11188	4.2
174.05536	0.6
175.07410	0.7
176.08203	0.4
177.05429	1.1
177.06645	1.0
178.05855	0.6
178.07790	0.9
181.04941	0.7
181.10115	0.9
182.09312	0.6
183.07706	0.7
184.11259	0.4
185.09212	10.7
189.35294	0.3
190.08633	0.4
191.06982	0.4
193.08450	1.6
193.10118	1.3
194.09238	0.5
195.07607	2.9
196.06065	5.2
196.08318	2.2
197.07062	0.7
197.10774	1.2
199.12253	1.3
208.07208	0.4
208.11201	1.3
209.10881	0.3
210.08693	0.5
211.09465	1.3
212.10225	0.4
213.08659	5.2
215.11778	0.4
216.12531	0.4
217.13374	1.4
220.11250	0.9
221.09581	11.2
222.09978	0.5
222.12711	0.6
224.11816	5.6
225.10201	4.3
226.12262	0.9
226.13383	2.4
227.11865	0.5
232.07257	0.4
238.12173	3.2
243.11314	0.8
248.10689	0.8
252.11328	14.5
253.11775	0.4
254.12862	15.1
265.13351	7.6
268.14166	0.3
270.12405	0.8
276.11365	0.4
278.12811	1.6
280.10806	6.2
281.09262	0.3
285.12729	0.7
285.15948	14.2
293.12808	25.2
294.12442	2.2
295.14569	0.4
296.13837	2.5
297.12201	0.4
298.11862	7.3
300.13437	0.3
311.13846	5.5
312.13565	0.8
314.14957	9.1
322.11832	3.5
332.16043	1.1
340.12909	12.0
356.16541	0.7
358.13934	100.0
359.14371	2.9
373.19070	1.7
385.18954	4.1
402.21820	1.1
430.21191	4.4
458.20554	0.4
477.21347	0.9
499.27124	0.8
505.20752	0.5
509.25613	0.3
527.26123	1.6
580.29163	0.5
597.78394	0.3
598.30389	0.7
606.27051	0.4
624.18878	0.5
624.28156	5.9
642.29156	13.4
643.29321	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.1774
Annotation	Unknow
Peak:m/z	Relative Intensity
53.83490	1.6
69.03445	3.5
71.51862	4.0
74.38885	1.4
76.37898	1.6
76.66463	1.4
85.02898	7.1
94.38645	1.8
97.02871	4.0
101.00883	6.6
113.04108	1.7
119.01915	23.7
121.01653	2.1
127.03915	3.5
131.01897	6.3
137.02968	4.3
139.00798	2.2
139.50916	2.2
143.01888	13.2
145.03444	5.6
145.04993	2.8
155.01923	11.8
157.03456	4.4
161.02939	30.4
165.18172	2.0
167.01938	5.4
167.05548	2.9
169.07091	3.1
170.01724	2.4
173.02957	17.0
179.01944	2.9
185.02953	25.8
185.06567	26.4
187.04506	3.3
187.08179	6.1
191.03935	2.8
195.05074	6.7
197.02980	9.5
203.03987	9.8
203.05960	2.6
203.07631	68.7
203.09534	3.4
204.07799	2.1
205.09232	10.1
211.08092	4.2
213.06071	28.2
215.04083	5.5
217.51164	2.4
221.04973	2.7
227.01834	2.2
227.03992	6.0
227.07610	10.3
229.09212	10.6
231.07127	100.0
232.03488	2.4
232.07289	2.7
238.01563	3.9
245.05066	52.0
246.05231	2.4
247.10234	2.2
249.08221	6.4
255.07138	29.0
257.04880	3.8
263.05981	9.8
273.08163	43.0
275.06149	6.5
285.08234	3.4
291.07159	2.3
293.07092	2.7
298.03830	2.8
298.53827	4.3
299.06253	24.9
303.09204	7.3
305.07193	6.0
307.04749	2.9
307.54309	3.2
313.11435	1.9
315.09216	15.1
317.02969	2.7
317.06769	31.8
329.10483	2.8
331.12366	2.3
333.10193	13.1
335.08344	3.9
345.10309	2.5
347.12033	3.7
357.10260	12.8
359.08289	12.6
365.09229	4.8
375.11331	34.9
389.09052	2.6
393.12460	20.6
417.12234	2.4
419.10336	14.4
425.11371	4.3
434.12369	2.0
435.13467	10.7
461.11447	10.0
469.10516	16.0
479.12515	30.5
480.12717	2.1
555.17548	5.6
641.17670	9.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.1703
Annotation	Isorhamnetin 3-glucosyl-(1->3)-galactoside
Peak:m/z	Relative Intensity
53.03899	0.8
55.01831	1.0
55.05490	0.3
57.01477	0.2
57.03432	1.7
61.02918	1.8
61.43164	0.2
67.05463	0.7
69.03422	9.1
69.07040	0.4
70.06584	2.0
71.01324	0.4
71.04951	1.0
71.08545	0.3
71.52727	0.4
72.08111	0.7
73.02898	1.3
79.05450	0.7
81.03407	3.2
81.07005	1.2
83.04925	0.4
84.04451	0.3
84.08132	0.7
85.02895	22.5
86.09657	1.1
87.04449	1.3
91.03902	1.0
91.05453	0.7
93.03468	0.3
93.06999	0.8
95.04947	0.6
95.08553	0.8
97.02882	7.8
97.06503	0.3
99.04432	2.1
105.06985	0.8
107.08537	0.4
109.02863	2.7
109.10101	0.7
110.03644	0.5
110.12433	0.4
115.03901	0.4
117.03376	0.3
119.08458	0.3
120.08049	0.6
121.02810	0.3
121.10104	0.5
123.11663	0.4
125.05984	0.4
127.02985	0.3
127.03901	5.4
133.10059	0.4
135.08098	0.3
137.02307	1.4
137.05974	0.4
145.02791	1.0
145.04921	4.2
149.09578	0.3
150.03091	0.3
151.07516	0.7
152.40877	0.3
153.01799	1.0
161.05957	0.3
163.03900	0.5
163.05939	0.5
164.06995	0.3
165.09053	0.5
167.07048	1.3
175.07425	0.4
177.05479	2.4
179.10580	0.3
181.04906	0.4
192.29713	0.3
200.04713	0.4
201.05368	0.3
204.04178	0.5
217.04948	0.3
228.04187	1.8
229.04881	0.8
234.11340	0.3
245.04398	1.0
256.03558	0.6
257.04614	1.3
273.03857	0.9
274.04688	4.7
285.03885	1.1
287.05484	0.4
289.06555	0.3
301.03400	9.9
302.04169	53.3
303.04568	1.1
315.05121	0.3
315.08606	0.3
316.05676	0.5
317.06519	100.0
318.06793	2.0
339.12250	0.4
359.07529	1.2
479.11801	50.3
480.12140	1.0
641.27850	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.1706
Annotation	Rhamnetin -gentiobioside
Peak:m/z	Relative Intensity
53.03925	0.5
54.30232	0.2
55.01862	0.5
57.03444	1.1
61.02924	2.2
65.03929	0.2
68.99806	0.2
69.03424	2.8
70.06572	0.3
71.04970	0.8
71.51675	0.2
71.52005	0.2
72.08158	0.2
73.02905	0.6
81.03413	1.4
85.02898	14.1
87.04443	0.4
91.03955	1.5
92.02615	0.6
93.03393	0.9
97.02883	4.1
99.04430	0.5
103.03977	0.2
109.02879	1.4
111.00829	0.2
121.02834	1.0
123.04607	0.1
126.03090	0.4
127.03915	2.7
129.10228	0.2
137.02344	0.2
139.03871	1.0
145.04939	3.4
151.03868	0.7
153.01816	6.0
163.03961	0.3
163.06013	0.7
165.01813	0.6
177.05429	0.3
183.04425	0.2
187.03940	0.2
200.04729	0.3
201.05432	0.6
203.03369	0.4
217.04938	0.6
218.05684	0.6
228.04129	1.1
229.04927	2.3
231.02872	0.3
245.04480	0.8
246.05202	1.5
254.05927	0.2
257.04404	2.0
260.03061	0.2
261.07532	0.4
266.89645	0.2
273.03891	1.7
274.04712	3.8
284.03107	0.5
285.03912	4.2
288.06207	0.3
301.03516	0.2
302.04187	12.2
303.04568	0.3
317.06522	100.0
318.06879	2.7
329.06589	0.4
333.06021	1.4
341.06686	0.2
359.07477	1.1
382.46838	0.2
383.07349	0.4
443.09225	0.2
479.11902	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.1703
Annotation	Isorhamnetin 3-glucosyl-(1->3)-galactoside
Peak:m/z	Relative Intensity
50.62910	0.2
53.03929	0.4
57.03429	1.1
60.04924	0.2
61.02646	0.3
61.02923	3.6
69.03421	2.5
69.40285	1.6
73.02895	1.0
81.03403	1.0
85.02901	11.4
87.04461	0.4
91.03944	2.4
92.02604	0.6
93.03400	0.4
93.26948	0.2
97.02884	3.9
97.88680	0.2
98.84142	0.2
99.04445	0.7
109.02856	0.9
114.69453	0.2
121.02842	0.6
123.04359	0.2
127.03909	2.4
139.03902	0.4
145.04948	3.2
145.97357	0.2
151.03894	0.7
153.01814	6.1
163.06000	1.0
165.01805	0.6
194.68510	0.2
201.05414	0.6
203.03349	0.4
217.04921	0.5
218.05818	0.5
228.04269	1.1
229.04938	2.4
231.02859	0.3
245.04370	0.5
246.05200	1.3
257.04413	2.1
261.07599	0.3
273.03839	1.4
274.04678	3.1
284.03156	0.4
285.03900	3.6
286.04324	0.3
302.04184	10.2
303.04581	0.3
317.06525	100.0
318.06888	2.2
329.06448	0.4
333.06100	0.6
359.07660	0.9
383.07556	0.4
479.11707	1.4
545.74506	0.3
582.53296	0.2
657.52466	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.1698
Annotation	Isorhamnetin 3-glucosyl-(1->3)-galactoside
Peak:m/z	Relative Intensity
53.03927	0.5
53.51894	0.2
53.67641	0.2
55.01866	0.4
57.03417	0.8
61.02916	2.6
65.03928	0.3
69.03423	2.6
71.04972	0.5
71.44477	0.4
73.02901	0.9
81.03410	1.3
85.02896	12.3
87.04437	0.4
90.91515	0.3
91.03940	1.5
92.02616	0.9
93.03377	0.5
93.70384	0.2
97.02879	3.6
99.04460	0.3
101.02359	0.3
109.02847	0.8
118.15506	0.2
121.02851	0.8
127.03886	2.9
139.03859	1.1
145.04930	3.8
151.03905	1.0
152.99960	0.3
153.01810	5.6
163.03867	0.5
163.05975	0.9
165.01836	0.5
177.05473	0.4
201.05469	0.5
203.03395	0.4
217.04994	0.4
218.05742	0.4
219.02927	0.3
228.04185	1.1
229.05000	3.2
231.02971	0.2
245.04425	1.0
246.05161	1.4
256.03806	0.3
257.04459	2.2
260.03168	0.5
261.07529	0.5
273.03830	1.7
274.04730	3.8
284.03177	0.5
285.03891	3.7
302.04184	12.1
303.04407	0.3
317.06509	100.0
318.06802	2.7
329.06467	0.4
333.05984	0.9
359.07675	0.8
479.11606	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.1705
Annotation	Laricitrin 3-rutinoside
Peak:m/z	Relative Intensity
55.01862	0.6
56.58286	0.5
57.03433	2.2
61.02910	0.7
67.05488	0.9
68.99776	0.6
69.03410	1.9
70.06584	3.0
71.04985	11.7
73.02921	0.8
75.04461	0.6
81.03416	1.0
81.07025	1.4
83.04945	1.0
84.08128	0.6
85.02899	17.2
86.09687	1.2
87.04464	0.7
93.03393	1.2
93.07039	0.7
95.08588	0.5
97.02875	1.8
98.21621	0.8
107.08559	0.5
107.29137	0.4
107.69574	0.4
121.02850	1.0
121.10105	0.6
127.03895	1.5
129.05447	4.4
130.47853	0.4
135.08054	0.6
137.05977	0.6
138.63663	0.4
139.03886	0.9
145.04993	0.8
147.06482	1.2
151.03888	1.3
153.01825	1.5
168.00575	0.6
169.01326	8.0
169.09770	0.5
177.05489	0.6
179.03415	0.4
181.01218	0.6
216.04201	0.6
217.04994	0.6
219.03020	0.6
221.38884	0.4
234.05231	0.6
244.03801	0.6
245.04381	2.1
262.04709	1.5
272.03094	0.5
273.03857	2.2
289.03430	1.7
290.04187	2.5
300.02795	0.5
301.03427	4.0
302.04175	0.9
317.06543	7.8
318.03690	10.0
333.06018	100.0
334.06360	1.9
460.88388	0.5
472.84045	0.5
479.11700	0.7
654.02911	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	638.4386
Annotation	Unknow
Peak:m/z	Relative Intensity
52.11993	1.5
55.01855	1.9
55.05504	13.2
57.03436	2.0
57.06831	1.9
57.07074	22.4
67.05495	8.1
69.07067	18.0
69.98185	5.5
69.98640	2.8
71.04993	1.9
71.08620	13.2
79.05470	3.4
80.98112	1.7
81.07052	12.8
83.08607	18.8
85.10167	6.3
93.07037	7.6
95.08616	12.5
97.06512	3.9
97.10155	6.1
98.40446	1.8
102.31863	1.5
107.08582	6.4
109.10146	5.2
111.08060	3.5
120.58556	1.8
121.10146	3.3
128.87944	1.4
149.13226	7.1
167.14328	8.2
200.99442	1.5
228.19615	5.1
239.23659	1.8
241.17958	14.7
259.18939	1.8
282.27829	2.0
301.10550	1.8
313.27338	5.4
398.95029	1.6
497.41953	100.0
498.42178	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	639.1915
Annotation	Demethoxycentaureidin 7-O-rutinoside
Peak:m/z	Relative Intensity
55.01838	0.1
55.05485	0.3
57.03431	0.8
67.05458	0.1
69.03380	0.3
69.07055	0.2
69.55550	0.9
70.06587	0.7
71.04986	5.9
72.08135	0.3
73.30030	0.1
75.04443	0.3
81.03349	0.1
81.07011	0.2
83.04949	0.3
84.08107	0.2
85.02895	7.2
86.09660	0.4
93.07003	0.2
95.04907	0.2
95.08559	0.3
97.02862	0.3
98.06046	0.1
98.21599	0.1
99.04417	0.2
105.03353	0.1
105.06962	0.2
107.04927	0.2
107.08495	0.1
109.10108	0.2
110.12981	0.1
111.04423	0.2
119.08489	0.1
120.08036	0.2
121.10098	0.2
124.05180	0.3
126.50860	0.1
127.03884	0.1
129.05458	1.8
129.10219	0.3
131.30072	0.1
134.03584	0.3
135.04437	0.1
137.02296	0.1
137.05951	0.1
147.06450	0.2
151.03860	1.1
151.07449	0.1
153.01819	0.8
159.16335	0.1
161.05922	0.1
162.03113	0.1
164.04539	0.2
165.01712	0.1
177.05437	0.2
189.05412	0.1
194.02034	0.1
200.04393	0.1
217.04933	0.7
218.05383	0.1
228.04121	0.3
229.04805	0.2
230.05669	0.2
242.05547	0.2
243.06483	0.3
245.04433	2.2
257.04419	0.5
258.05115	0.1
259.06030	0.2
269.04483	0.2
270.05078	0.2
271.05939	0.5
272.06735	0.2
273.03915	3.4
285.03937	0.7
286.04755	0.2
287.05484	1.4
288.06259	1.5
298.04611	0.2
299.02243	0.1
299.05383	0.7
300.02661	0.3
301.03394	8.4
302.03992	0.6
315.01111	0.2
315.04950	10.1
316.05734	41.4
317.06094	1.1
323.84842	0.1
331.08075	100.0
332.08423	2.5
337.23944	0.2
373.08957	0.2
493.13348	19.0
494.13757	0.5
607.66382	0.1
615.10712	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	638.3734
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	2.7
55.05499	12.2
57.07072	4.9
66.66106	2.7
67.05492	8.8
69.03429	5.2
69.07061	20.3
70.06590	7.2
70.49813	2.8
71.04063	5.8
71.04440	5.1
71.05007	4.1
79.05472	7.9
79.06447	2.3
81.07050	60.1
83.04955	3.5
83.08599	12.5
84.08131	6.2
85.02917	3.8
85.06541	4.2
86.09651	3.2
91.05457	6.0
93.07043	23.1
95.08599	37.2
97.06522	4.3
97.10156	5.0
99.04476	6.5
99.08044	3.1
105.06997	16.6
107.08597	26.6
109.06508	6.5
109.10149	27.2
111.08048	3.7
111.11712	3.0
118.23727	2.6
119.08568	9.7
120.08087	6.2
121.10139	17.4
123.08119	3.5
123.11703	20.9
127.07558	7.0
133.10121	19.1
135.08054	3.2
135.11703	13.8
137.13226	19.7
145.10118	3.4
147.11667	22.4
149.09636	5.4
149.13232	10.7
151.11163	34.4
155.14296	5.2
161.13229	4.9
165.12724	9.2
175.11183	9.8
177.12700	3.1
177.16330	3.5
179.10666	2.8
181.12160	3.8
183.13779	3.3
189.12677	3.7
193.12228	39.9
195.10605	2.8
195.13805	6.6
203.17932	2.9
205.19505	5.4
207.13774	3.6
211.13232	7.8
229.14316	37.2
291.26727	6.1
301.25369	3.7
319.22754	2.6
319.26248	44.3
323.98590	3.6
337.23264	6.2
337.27313	100.0
355.24615	3.5
355.28311	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	638.3177
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01858	5.5
56.05019	1.9
65.26482	1.4
67.05490	3.2
67.65288	1.3
68.05018	3.5
69.03412	2.6
69.05807	4.0
69.07055	3.3
70.06586	23.8
71.52917	2.0
72.08152	2.5
79.05487	3.4
81.07047	5.3
84.04497	5.4
84.08128	6.6
85.02892	8.6
86.09691	17.5
91.05466	5.9
93.07030	4.7
94.17876	1.3
95.01340	1.6
95.04953	3.7
95.08603	4.3
96.04520	2.0
98.97581	1.6
100.11239	1.9
102.05530	4.6
102.72812	1.4
103.05442	5.3
105.07014	5.8
107.04961	1.7
107.08601	2.8
109.06517	2.7
109.10172	3.4
112.03941	3.5
114.05529	2.0
115.05424	2.1
118.06542	1.5
119.08572	3.8
120.08096	100.0
121.10104	1.5
123.11721	1.4
124.03943	4.8
127.03887	1.3
129.10228	2.1
130.04999	1.6
130.06505	3.8
131.04912	1.5
131.07306	7.8
131.08549	2.1
134.06003	44.9
135.06772	3.3
136.07545	5.0
141.07030	2.1
147.08035	1.7
157.06491	2.5
159.08089	2.5
159.82430	1.3
164.07140	3.4
167.07085	4.2
169.06450	5.2
171.08076	2.9
172.07793	1.6
174.09146	15.4
180.06573	6.5
181.09787	2.3
181.13379	2.3
184.07581	3.5
186.09134	57.0
188.14333	5.4
203.11827	7.9
207.07658	9.1
208.06094	11.1
213.10303	3.3
225.08687	4.7
236.10716	2.0
240.92346	1.3
269.12781	1.5
281.12885	4.1
292.16666	1.3
297.12457	3.4
314.14877	4.3
315.13361	39.2
316.20197	2.1
319.22754	2.8
332.15729	1.8
337.23584	3.1
338.17102	4.3
342.14447	2.9
343.12866	5.0
350.18692	1.9
360.15356	3.4
371.52386	1.5
410.20673	2.6
427.00714	1.4
427.23276	3.4
428.21588	13.8
437.33041	1.6
439.23199	2.5
454.42636	1.7
455.22754	2.8
456.21350	18.6
462.20013	3.2
467.22943	1.9
473.23853	13.9
476.12814	1.6
479.22769	4.3
491.26230	4.1
507.22446	2.3
509.27139	3.7
530.26770	2.0
558.26556	1.6
574.30164	6.0
575.28455	17.0
592.32098	3.6
602.29681	11.9
603.28107	8.2
620.30841	27.6
621.29279	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	636.4229
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03429	1.1
57.07070	17.6
65.03947	0.6
67.05498	19.9
69.07062	8.9
71.03271	1.1
71.04967	2.1
71.08617	11.2
72.22162	0.5
77.80134	0.5
79.05489	4.7
81.07045	35.3
83.04956	0.8
83.08602	6.1
85.06538	4.5
85.10181	6.5
91.05457	2.4
93.07032	2.0
95.08595	37.2
97.06516	1.0
97.10186	2.9
98.98447	0.7
99.08074	1.0
105.07038	2.8
107.08582	1.0
109.10158	4.0
119.08558	2.9
121.10178	1.3
123.11716	2.3
127.85730	0.6
137.13281	0.8
147.11649	3.7
155.01018	0.8
165.12732	2.2
183.13838	1.2
201.14876	1.5
208.16965	6.0
226.18042	6.2
239.23778	2.4
257.17456	1.5
282.27866	1.8
306.14609	2.2
313.27396	3.4
324.15625	1.3
362.17206	1.7
380.18192	4.1
495.40387	100.0
496.40747	2.6
555.37115	0.6
618.41119	10.3
636.42773	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	634.2997
Annotation	Unknow
Peak:m/z	Relative Intensity
52.82698	1.4
55.01860	3.1
55.05503	11.4
56.05037	1.8
58.99586	11.0
59.55634	1.3
64.66669	1.3
67.05499	8.5
69.03412	1.4
69.07084	2.7
70.06577	4.0
71.04987	1.7
71.08621	7.1
71.52581	2.3
72.08147	1.5
74.00656	1.8
74.09715	1.6
76.02224	33.6
76.03985	1.7
79.05488	7.0
80.05002	3.9
81.03389	1.4
81.07063	8.8
81.41937	1.2
83.04971	2.8
83.06081	3.3
83.08614	8.5
84.04497	15.7
85.02928	1.5
86.09707	2.0
86.99037	3.2
91.05466	4.6
93.07029	5.7
95.04961	3.0
95.08590	5.7
95.31413	1.5
97.01087	3.9
97.02863	2.2
97.06522	1.8
97.10152	5.3
99.08048	3.5
105.07017	3.1
107.04945	3.8
107.08601	7.0
109.10131	3.8
111.02637	3.8
111.08113	2.3
112.02167	3.7
112.03990	2.0
113.09658	1.3
116.01662	13.9
117.06977	2.8
119.08566	2.6
120.08088	2.0
121.06485	2.9
121.10115	2.9
124.02143	1.9
125.09602	3.8
126.03706	6.6
129.06602	2.3
130.04990	5.2
131.08548	2.0
133.10164	2.3
135.02666	1.7
135.11655	3.4
137.09615	1.7
138.03635	1.8
139.02132	3.9
141.04779	2.0
142.03172	2.1
144.01118	5.9
145.06148	1.8
145.10135	3.5
147.11674	1.6
152.05283	2.0
153.12744	4.9
161.09558	2.7
162.02196	13.6
163.11159	2.9
165.07291	2.1
167.10684	2.3
170.02676	2.4
177.03276	3.5
179.04822	15.5
181.12199	1.6
185.03775	4.3
187.05359	2.2
189.03233	2.1
189.11255	2.3
193.12213	3.9
194.09976	11.0
195.08337	2.8
196.11572	8.9
204.13855	1.4
215.04961	1.6
218.74142	1.6
224.11066	2.3
225.09415	3.0
227.12802	3.8
231.04373	5.9
233.05836	7.2
236.11024	1.9
238.12483	2.2
240.10556	3.9
242.12041	2.9
254.12039	3.8
266.12115	3.4
291.19492	7.1
299.14124	3.0
308.09039	8.1
309.20572	4.2
311.14145	6.0
313.11331	1.5
313.92392	1.6
323.16797	10.5
338.69064	1.7
343.13086	1.8
345.14551	2.4
348.19806	9.1
349.18317	4.9
357.14828	13.3
366.20941	20.9
367.19360	10.6
369.14874	3.3
384.21906	6.8
394.20062	2.6
451.22418	4.1
469.23703	28.0
487.24707	100.0
488.24799	3.0
523.24194	1.6
535.24445	1.9
559.26715	9.4
598.27844	4.5
616.28491	2.3
634.29822	6.3
635.29340	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	636.4464
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	3.4
55.01856	5.9
55.05510	19.1
57.03452	2.8
58.09960	2.1
58.12019	2.4
58.80722	2.3
67.05498	22.9
69.03411	3.3
69.07053	8.9
71.52913	2.9
71.66080	2.6
79.05485	27.4
81.03414	6.7
81.06596	5.2
81.07048	74.0
81.07522	4.0
83.04955	4.5
83.08604	14.9
85.06493	2.6
91.05471	19.7
93.07028	19.2
95.04948	12.4
95.08607	12.9
97.10159	16.9
105.07026	19.7
107.04951	4.8
107.08607	17.5
109.06496	15.2
109.10120	9.2
111.04433	7.8
111.08068	4.0
115.05412	3.0
117.06989	13.0
119.08563	18.2
121.06503	7.3
121.10104	9.4
123.08025	8.3
125.09637	12.2
129.06961	5.7
131.08592	12.2
133.10088	9.6
135.07991	7.1
135.11667	6.9
137.43619	3.0
143.08543	4.6
143.63007	2.3
145.10141	13.6
147.08098	15.5
147.11678	7.3
149.09589	9.8
149.13289	3.8
153.09099	5.3
153.80550	2.5
157.10036	6.0
159.11626	3.5
161.09581	7.0
163.11131	7.8
171.11716	2.4
173.09509	2.8
173.13211	2.6
181.12297	3.9
185.13190	2.8
189.11195	11.5
209.11639	2.8
223.13237	3.2
227.12831	3.1
239.17839	2.8
242.42270	2.6
245.18930	3.2
249.14700	3.1
255.17397	6.8
273.18463	29.1
275.20062	32.0
291.19492	100.0
293.21036	12.2
309.20602	10.6
556.08765	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	633.2916
Annotation	Unknow
Peak:m/z	Relative Intensity
52.50245	2.0
54.26931	1.9
54.61564	2.0
59.58330	1.9
65.47612	2.4
67.05498	3.2
69.03419	2.3
69.07064	4.2
70.06583	7.3
71.52927	3.1
72.08156	3.0
81.03405	3.1
85.35226	2.3
91.05489	2.4
94.06568	3.1
95.04953	3.4
95.08668	2.5
97.02833	2.7
98.97648	2.1
107.08571	3.6
108.08102	2.8
108.27901	2.2
109.10101	2.6
120.08136	4.4
121.02837	2.2
122.06013	13.1
134.06058	2.5
135.71365	2.3
136.07576	18.1
140.07066	13.5
144.04454	2.9
146.06017	8.5
147.03131	2.3
148.07530	7.0
152.07083	2.2
164.07030	11.1
166.08592	10.9
172.03893	6.9
174.05537	5.9
176.07082	16.5
190.05026	4.9
204.06552	7.2
206.08070	2.5
208.09624	3.1
210.11407	2.4
211.12122	2.6
216.63878	2.7
223.12186	3.2
225.10237	6.5
237.10201	7.4
238.11029	10.9
239.11789	15.6
246.07593	2.4
248.09355	2.9
249.10260	2.7
250.10896	4.0
251.11826	12.8
253.13408	3.6
263.11823	13.9
264.08987	3.9
265.09677	3.0
265.10583	3.0
265.13351	25.6
266.10577	2.4
267.11359	4.0
271.14459	7.0
277.09677	4.4
277.12982	2.8
278.10513	3.4
279.11249	100.0
280.11923	10.8
281.12939	4.7
283.10574	2.2
285.12360	9.6
287.13852	8.2
291.11377	4.4
293.12866	8.0
295.10828	6.8
296.11475	3.1
297.12302	59.3
298.13074	6.6
309.12347	31.0
310.13138	16.4
311.13727	4.3
313.11783	8.7
319.10574	4.4
321.12335	11.6
325.11838	4.2
331.12732	4.6
337.11810	60.9
338.12540	19.7
339.13379	74.1
340.14124	5.0
345.14645	4.5
369.14456	14.9
370.14645	3.6
371.15988	34.4
400.16605	4.7
438.20364	4.6
442.17532	4.2
460.18640	67.4
461.19232	4.3
464.18073	5.2
465.19107	3.6
470.19226	2.2
478.19632	50.0
479.20242	6.2
480.21255	11.4
492.20535	2.6
496.20682	3.1
510.22336	18.9
583.25153	3.7
601.17303	3.7
601.26508	52.7
602.26923	3.8
633.28821	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	632.284
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.9
55.01859	3.3
55.05504	8.6
56.05013	1.4
57.03438	0.5
58.99302	0.5
58.99579	10.6
59.04993	0.6
60.84466	0.4
61.01162	0.4
64.75883	0.4
65.03919	0.8
67.05494	8.7
68.05022	0.7
69.03419	0.7
69.07060	10.6
70.02959	1.1
70.06571	1.5
71.04365	1.1
71.04970	1.0
73.01115	1.0
74.00642	3.3
76.02220	32.2
76.03990	2.6
79.05072	0.6
79.05489	9.2
79.70521	0.4
79.83413	0.4
80.05013	2.8
81.03411	2.2
81.05791	0.5
81.06590	0.9
81.07051	15.0
82.06568	1.1
83.04969	3.5
83.06097	3.4
83.08598	5.1
84.04499	14.1
84.08121	0.5
84.70540	0.4
85.01104	0.9
85.02895	0.6
85.04018	1.2
85.06518	0.5
86.00636	1.7
86.09675	0.6
86.99049	3.5
87.02670	0.5
88.02205	1.4
91.05473	5.8
93.05767	0.6
93.07029	6.8
94.06557	1.6
95.04955	2.3
95.08606	6.7
96.04415	0.5
97.01097	3.1
97.02878	1.9
97.06508	2.9
97.10155	6.2
98.00660	0.5
99.02673	0.8
99.04447	0.5
99.05564	0.8
100.02191	1.1
102.03707	0.7
102.05531	0.9
105.07019	5.2
106.06528	0.7
107.04929	3.0
107.08582	6.2
108.04469	0.9
109.02851	1.0
109.06512	3.3
109.07648	1.2
109.10144	3.1
110.06084	0.8
111.02664	2.1
111.04413	1.1
111.08065	1.7
112.02174	5.7
112.03939	0.9
113.00572	3.1
113.02900	0.7
114.03747	2.4
115.02146	0.8
115.05442	0.7
116.01669	15.7
117.06995	3.2
119.08564	4.4
120.08081	1.4
121.06497	1.5
121.10136	2.1
122.05989	1.0
123.01340	0.5
123.02659	1.2
123.04417	1.3
123.08077	2.7
124.02160	6.6
125.00551	0.7
125.03001	0.8
125.04157	0.8
125.09623	4.4
126.03712	4.5
127.02106	1.1
129.06500	3.5
130.04990	6.1
131.04477	0.8
131.08600	2.4
133.06461	1.1
133.10120	3.4
134.09656	0.6
135.02657	1.3
135.04384	0.6
135.05516	0.7
135.08034	3.1
135.11655	2.6
136.02185	1.1
136.03928	0.8
137.02956	0.6
137.04170	1.0
137.05981	0.9
137.09601	1.3
138.03719	2.0
139.02155	1.0
139.03207	1.1
139.05765	0.9
140.01614	1.2
140.05237	0.8
141.04784	1.1
142.03214	4.8
143.02736	0.6
143.08540	1.6
144.01146	5.8
145.05063	0.5
145.06041	2.5
145.10133	3.0
147.02612	0.5
147.07985	2.0
148.11162	0.8
149.02985	0.5
149.04163	0.9
149.09619	1.7
150.03687	1.1
151.05763	0.9
151.11147	1.1
152.01591	1.1
152.05251	0.8
153.06563	1.6
153.09094	0.8
153.12738	3.0
154.06728	0.5
155.08220	1.5
157.10103	1.1
159.08035	1.5
159.11581	0.5
160.11205	0.5
161.09605	2.6
162.02194	15.1
162.03590	1.1
163.02104	0.7
163.05861	0.7
163.07449	0.8
163.11157	2.3
164.10646	0.7
165.03650	0.7
165.07294	1.0
165.09120	1.1
166.06879	0.6
169.06776	0.8
169.10117	0.6
170.02692	2.2
173.09578	1.4
175.05809	1.1
175.11150	0.7
177.03276	3.3
177.07341	1.7
178.12343	0.6
179.04839	14.8
179.08961	0.8
179.10664	1.4
181.06096	1.1
181.12221	1.5
185.03775	4.0
187.05409	4.2
187.11150	0.6
188.03717	0.8
188.10716	0.7
189.03452	0.9
189.11253	2.1
191.05162	0.6
191.10617	1.2
192.08377	3.4
193.06871	3.0
193.12276	2.1
194.09947	3.6
195.08400	0.6
196.11493	0.7
199.07164	1.1
204.06683	0.7
205.06758	0.9
208.11536	1.0
208.13318	0.6
212.10948	1.0
215.04727	2.4
219.08333	1.1
222.09492	2.2
223.07899	0.9
224.10997	2.2
225.09564	0.7
227.12680	2.3
230.11969	0.6
231.04301	7.0
233.05913	7.1
236.10966	3.2
238.12608	1.7
240.10463	4.5
241.11217	1.4
242.12122	3.1
243.17401	0.7
245.06012	1.3
248.11087	0.7
250.12608	0.9
254.11934	4.3
256.09048	0.8
256.13696	1.1
261.18344	1.2
266.12131	3.6
268.13605	0.8
271.16925	0.9
278.12134	3.4
282.11298	0.7
284.13287	1.1
288.06488	0.7
289.17908	7.7
291.06482	0.7
291.19482	0.7
293.15588	1.3
294.11612	0.6
297.12558	1.7
303.13861	1.8
307.18958	4.1
308.09100	5.8
311.14154	4.6
312.12527	0.9
319.16922	0.5
321.15176	10.0
323.14090	1.1
328.17456	0.8
329.15588	1.1
341.15036	0.5
343.13177	1.3
345.14709	1.6
346.18353	8.5
347.16635	3.5
357.14725	9.9
357.18823	0.8
364.19354	21.9
365.17767	8.2
369.14838	3.1
374.17926	0.8
382.20416	7.6
383.19070	1.1
387.15750	1.4
392.18744	2.4
400.21616	1.7
417.16147	0.6
439.22565	0.7
449.20834	2.9
467.22089	24.2
468.22345	0.7
475.16498	0.6
475.22577	0.9
485.23126	100.0
486.23608	3.1
521.23419	2.2
533.23071	1.0
557.25189	9.3
578.24823	1.0
596.26123	3.2
600.25269	2.0
614.27124	1.7
615.25452	0.7
632.27521	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	630.3267
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07074	5.7
58.06586	2.4
63.04773	0.5
65.03933	0.8
70.06588	20.2
70.84246	1.1
70.84653	1.2
71.08630	1.1
72.08147	0.9
85.10150	1.3
88.07622	19.4
95.04957	0.6
102.09176	13.6
139.64055	0.5
147.04373	0.7
149.02330	34.6
175.03888	1.8
177.05496	0.8
193.04955	43.9
219.06471	0.9
225.05516	0.7
228.23216	47.4
237.07564	11.8
269.04431	1.2
272.25757	1.3
297.03873	2.8
313.07037	2.4
341.06525	9.5
343.08356	0.7
359.07602	7.4
385.09131	17.6
429.11789	26.9
612.31256	1.7
630.32697	100.0
631.33148	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	631.2757
Annotation	Unknow
Peak:m/z	Relative Intensity
58.99575	0.8
67.05498	2.9
69.07067	4.7
70.06579	2.1
71.44009	1.2
76.02223	1.6
79.05466	1.5
80.05025	1.8
81.07042	2.1
83.06126	0.7
91.05463	1.3
93.07026	1.8
94.06561	8.0
95.04932	1.1
95.08576	0.9
97.06548	1.0
99.94933	0.8
101.66840	0.7
107.08575	1.3
108.08134	2.2
109.10148	1.1
110.06049	1.4
112.07599	2.0
116.04985	1.2
118.06579	1.1
120.04471	0.7
120.08118	1.5
122.05163	1.8
122.06019	24.1
123.04430	1.6
124.07597	2.5
134.06021	1.7
136.07613	1.2
138.05484	0.8
140.07059	40.6
140.67413	0.7
144.01141	0.9
144.04451	2.4
146.05994	14.8
148.07556	2.0
152.07098	1.1
162.05499	2.1
163.06319	1.4
172.03920	20.5
172.07626	1.2
173.04721	1.7
174.05499	19.0
176.07010	7.1
179.04961	1.1
182.09683	1.0
186.09227	1.0
188.07137	0.9
190.05028	3.1
191.05765	3.2
192.06555	2.1
197.10678	1.1
199.08546	1.4
199.12294	2.1
200.12474	0.8
204.06538	40.1
205.07042	1.1
206.08133	13.3
210.09131	1.2
211.08711	2.4
212.09424	1.3
213.10214	2.1
224.09261	1.2
225.10202	6.7
226.10895	1.5
227.11765	15.9
228.12302	0.8
237.10136	1.8
238.11017	3.1
239.11772	3.9
240.12547	1.3
241.09669	1.8
241.13298	1.1
243.11279	1.9
249.10138	2.0
251.11760	4.4
252.69547	0.8
253.09674	2.9
255.11279	1.2
261.12378	3.0
263.08157	2.2
263.11752	1.8
264.08936	1.0
265.09705	3.3
267.11169	1.3
269.12817	15.0
271.10654	4.6
277.09683	2.6
279.11182	2.3
283.10770	10.0
284.11441	6.4
285.12302	6.2
287.13870	33.4
291.11288	1.3
295.10806	2.3
297.12283	5.3
298.13358	1.0
300.12119	1.1
301.12146	3.8
302.12830	1.2
303.13379	2.3
309.12277	2.3
310.13089	1.2
311.14063	1.0
312.15149	1.2
313.11746	34.8
314.12674	4.4
315.13718	3.8
316.14468	5.8
323.10181	2.1
326.16556	1.2
327.13898	1.1
328.11029	1.2
328.14606	2.9
329.11514	3.4
329.15213	2.9
330.12378	3.4
330.16013	6.6
331.12872	13.4
331.16766	7.5
332.17514	1.0
336.11053	1.2
337.11722	2.0
340.14648	1.6
341.12457	1.1
342.12415	5.9
342.15997	1.1
343.13147	4.7
343.17017	0.9
344.13828	2.3
344.17618	5.5
345.14502	17.8
345.18314	0.7
354.16187	1.8
355.14093	2.8
356.13898	5.8
356.17465	0.8
357.14755	3.7
358.15363	9.9
363.15863	0.9
365.11414	1.2
366.15894	1.1
367.12909	1.1
368.13721	1.6
368.17728	1.1
369.15015	1.3
370.11624	1.7
370.15552	5.4
371.16742	1.1
372.13016	0.9
372.17212	5.7
374.18683	0.9
382.11859	2.4
382.15799	1.7
382.20053	1.0
382.58057	0.8
383.12845	3.3
384.13293	12.2
384.17444	1.2
385.14084	5.5
386.14395	5.1
386.18710	2.6
388.16330	1.3
390.18234	6.1
394.15326	1.2
397.14807	1.0
398.14960	14.7
399.15747	24.7
400.16537	34.5
401.16965	2.6
402.14395	2.8
403.19003	1.7
412.16687	1.9
414.18201	5.6
415.19034	1.5
416.15698	4.1
417.16806	7.0
418.17435	10.6
430.17340	3.6
431.18353	1.7
440.15985	4.4
442.17542	1.1
444.15643	2.2
458.17068	46.3
459.17764	26.7
460.18509	5.6
464.17926	1.2
467.22144	1.1
474.16910	1.8
485.23193	6.0
488.68170	0.8
490.19812	6.9
491.20331	3.0
555.26489	1.8
556.26770	1.0
557.23993	5.9
572.21661	1.2
581.23920	10.6
587.33801	1.1
599.24963	100.0
600.25195	4.6
631.33606	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	628.2805
Annotation	Unknow
Peak:m/z	Relative Intensity
51.30687	0.6
51.57115	0.5
53.03936	2.0
53.31269	0.6
55.01859	4.1
55.05503	3.0
57.03436	3.1
57.07067	1.0
59.04982	0.8
61.02911	2.7
67.05495	7.6
69.03086	1.0
69.03425	13.8
69.07057	8.2
69.59217	4.8
70.06588	1.2
71.04987	4.3
72.08147	1.2
73.02904	2.2
79.05470	1.9
81.03415	8.5
81.06590	1.0
81.07051	15.7
83.04965	2.1
83.08599	1.6
84.04461	1.2
84.27209	0.7
85.02898	33.9
85.06541	6.5
86.09689	5.1
87.00822	11.6
90.07428	0.8
91.05447	1.9
93.07034	7.0
95.04948	0.7
95.08600	22.0
97.02286	1.1
97.02882	12.5
97.06526	1.3
98.20770	1.2
99.04463	7.0
99.08070	1.1
101.07108	0.8
102.92199	0.6
105.01855	18.2
105.07021	12.3
107.08583	17.4
109.02873	13.7
109.06504	3.9
109.10147	28.0
111.08057	1.6
113.05992	6.2
113.09588	0.7
119.08568	3.1
120.08060	0.7
121.10123	2.8
121.82560	0.6
123.08054	2.9
123.11692	6.5
125.09624	20.2
127.03908	24.4
127.07539	4.8
128.75052	0.5
129.10184	0.7
133.10124	0.9
137.06030	0.9
137.09605	0.8
137.13242	14.7
141.09041	0.7
145.04950	6.6
145.10112	1.0
145.26947	0.6
147.02895	1.0
147.07945	0.7
147.10500	1.2
147.11670	21.1
159.02896	2.6
159.11687	0.9
163.11136	0.9
165.12741	42.0
174.21637	0.7
175.11183	1.6
180.08707	1.8
183.13794	100.0
184.14201	0.9
189.03949	1.2
193.12181	1.4
201.14838	18.6
210.12369	0.6
211.13268	3.5
211.97710	0.6
213.03871	4.3
231.04994	8.7
249.06044	2.7
251.20166	0.6
255.13696	0.8
273.14886	1.8
291.15771	3.9
308.26617	0.9
309.17010	3.3
318.06729	0.9
324.26270	0.6
327.17993	0.9
345.18945	0.8
351.17999	1.8
377.15793	1.0
395.16998	2.5
413.17975	2.1
431.18884	1.6
434.00073	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.4611
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	4.0
54.51439	3.3
54.64515	3.7
55.01862	9.5
55.05506	47.3
57.03429	6.4
57.07058	3.9
65.03933	6.6
67.05499	83.4
69.07068	27.7
69.20789	5.1
69.21174	41.7
71.04984	6.8
79.03680	3.5
79.05485	81.4
81.03387	4.0
81.07049	82.7
83.04964	15.0
83.08605	24.5
84.48333	3.4
85.02892	4.8
91.05473	57.1
93.07028	84.1
93.07561	6.4
93.85390	3.5
95.04949	45.7
95.05489	4.6
95.08594	51.8
97.06527	7.5
97.10166	12.2
98.21495	6.6
99.04447	7.7
105.07022	45.1
105.11198	3.7
107.04916	8.9
107.08582	47.3
109.06504	11.6
109.10154	27.5
111.04439	16.1
111.08064	5.9
117.07018	19.9
119.08578	28.3
121.06531	4.8
121.10126	37.7
123.08096	6.1
123.11701	10.1
125.09638	8.7
129.06963	4.6
131.08549	20.6
133.10068	19.9
135.08072	6.1
135.11723	19.6
141.06923	5.5
143.08580	6.6
145.10078	23.1
147.08040	4.7
147.11632	17.7
149.09592	23.3
149.13290	5.9
159.11691	17.3
161.13275	9.1
163.11151	24.6
169.10063	5.2
173.13220	10.5
175.14716	4.7
177.12708	6.3
185.13217	6.3
187.11221	4.4
187.14828	4.1
189.11188	12.3
199.14740	4.6
205.12242	8.1
219.74527	3.8
223.13260	60.9
239.18045	3.8
247.20357	3.8
257.18988	7.5
261.22263	7.1
275.20071	54.9
293.21069	26.1
305.21304	3.9
335.25940	13.7
349.23810	12.8
351.41772	4.0
609.44794	13.6
627.46155	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.4611
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	7.3
55.01859	9.2
55.05505	41.9
57.03419	7.9
57.07071	4.5
61.37116	2.4
65.03934	6.3
67.05495	84.4
69.03410	3.1
69.07062	28.5
71.04976	5.9
71.08617	2.2
72.02000	1.9
79.05014	2.4
79.05482	75.8
81.03423	6.1
81.07043	78.4
83.04961	18.8
83.08607	38.0
89.06024	2.7
91.05475	50.3
93.07030	87.2
95.04952	55.4
95.08601	54.5
95.09178	3.8
97.06542	7.9
97.10156	9.6
98.20786	5.2
99.04449	9.1
99.08072	3.3
105.07013	32.8
107.04948	9.0
107.08579	55.8
107.09782	2.2
108.55316	2.3
109.06517	10.1
109.10143	25.6
110.44697	2.5
111.04429	15.5
111.08083	7.5
117.06989	16.7
119.08572	34.0
121.06499	5.5
121.10134	37.3
123.08076	6.6
123.11700	7.1
125.09618	14.7
129.06998	6.1
131.08560	25.8
133.10121	19.0
135.08064	7.7
135.11684	16.8
137.09555	2.6
139.11169	7.9
143.08553	5.8
145.10094	25.6
147.11679	14.9
149.09613	23.4
149.13261	6.8
151.11188	3.2
153.08978	2.6
157.10156	3.8
159.11644	16.3
161.09618	2.8
161.13235	6.7
163.11162	27.8
163.14783	2.5
165.12709	3.8
169.10165	3.4
171.11676	7.3
173.11813	3.6
173.13289	6.5
175.11232	2.4
177.12743	5.1
183.11606	2.6
185.13284	3.9
187.11214	3.9
187.14822	3.8
189.11206	14.9
191.10674	2.8
205.12299	9.2
211.15105	2.5
223.13257	69.3
223.15445	3.6
227.12814	2.5
254.46037	2.6
257.19006	11.0
261.22229	7.6
269.34055	2.5
273.18591	3.8
275.20029	71.3
293.21054	41.9
317.24789	3.4
335.25897	11.2
349.23831	10.2
408.79727	2.4
501.35992	3.5
519.28131	2.4
587.80804	2.6
609.44934	9.4
627.46130	100.0
628.46381	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	627.4613
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	7.0
55.01863	10.8
55.05241	2.1
55.05507	42.8
57.03440	5.1
57.07085	3.9
65.03955	4.3
67.05500	73.7
69.03440	2.8
69.07063	29.5
69.92712	12.2
71.04987	9.4
79.05485	67.5
81.03413	6.8
81.07047	65.4
83.04964	14.2
83.08615	22.5
85.02865	2.1
85.06590	2.1
88.42265	2.5
89.06026	4.8
91.05469	49.6
93.07037	79.0
95.04961	61.5
95.08598	50.9
95.09175	3.9
97.06528	7.6
97.10175	10.5
98.20790	2.6
99.04456	11.2
99.08105	2.6
105.07017	35.5
107.04970	8.8
107.08580	49.8
109.06543	9.4
109.10123	20.2
111.04431	14.3
111.08079	5.6
117.06310	2.2
117.07046	10.2
119.08568	25.6
121.06552	3.1
121.10126	31.0
123.08072	5.5
123.11735	6.9
125.09615	12.3
129.07014	3.4
131.08536	21.5
133.10138	20.2
133.60312	2.5
135.08081	5.3
135.11679	18.3
137.09734	2.7
143.08618	5.1
145.10118	19.6
147.08038	4.3
147.11656	13.6
147.93408	2.7
149.09587	23.0
149.13217	5.6
159.11681	10.7
161.13322	6.4
163.11166	21.2
165.12749	4.2
169.10172	4.1
169.76833	2.4
171.11708	3.0
173.13306	9.3
177.12854	4.3
183.11551	2.7
187.11227	3.0
187.14914	2.8
189.11168	11.2
202.71953	2.6
205.12376	7.2
213.16432	2.9
223.13261	67.4
229.19516	4.1
239.18007	4.9
257.19104	9.1
261.22232	9.4
264.90012	2.3
275.20047	62.6
292.04111	2.4
293.21024	33.0
300.94559	2.7
317.24719	3.1
335.25787	11.7
349.23706	11.2
373.11804	2.3
390.35669	2.3
609.45618	6.6
627.46271	100.0
628.45996	4.2
653.82062	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	627.4613
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	5.8
55.01863	6.6
55.05503	25.2
57.03433	3.6
57.07059	3.2
65.03938	4.8
67.05496	56.3
69.07066	21.7
69.88982	7.8
71.04989	2.9
71.94468	1.2
79.05486	51.6
80.05866	1.4
81.07050	100.0
83.04990	3.9
83.08606	12.5
85.06546	3.8
91.05467	38.7
93.07032	47.2
95.04948	8.6
95.08598	41.8
95.09177	2.7
97.06514	9.7
97.10148	3.8
99.08084	3.1
105.04532	1.4
105.07024	33.6
107.04955	5.5
107.08580	27.7
109.06509	17.2
109.10148	17.3
111.08092	5.3
115.05411	1.4
117.07005	10.7
119.08566	27.2
121.06522	3.4
121.10136	22.4
123.08072	6.6
123.11674	10.4
125.09698	1.6
129.06995	3.3
131.08563	16.0
133.10120	17.3
135.08080	3.5
135.11682	13.1
137.09621	3.5
141.07013	1.7
143.08588	4.3
145.10124	12.8
147.08127	1.6
147.11655	21.6
149.09592	7.1
149.13252	7.4
151.11192	2.4
157.10110	4.4
159.11702	10.9
161.13260	5.4
163.11197	5.0
163.14825	2.3
165.12747	5.4
169.10147	2.2
171.11671	3.9
171.91565	1.4
173.13290	5.2
175.11188	2.9
175.14822	3.2
177.12770	2.7
179.14365	1.9
183.11703	2.8
185.13263	1.7
187.14819	4.1
193.12274	2.4
197.13356	3.2
207.13982	2.1
229.19638	2.7
247.20647	4.6
257.19141	4.1
259.20596	2.7
261.22232	5.3
267.16068	5.3
275.20044	36.3
277.21872	1.8
293.21179	7.0
317.24872	1.6
335.25772	16.5
349.23672	14.5
349.27039	1.4
353.31219	1.7
376.45520	1.7
517.40540	2.7
535.41510	3.3
553.42273	2.1
609.45099	23.5
627.46155	49.3
628.46466	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.4614
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	7.5
55.01870	12.9
55.05508	51.5
56.00704	2.4
57.03418	6.1
57.07057	6.1
64.43086	2.3
65.03930	7.0
66.73635	2.4
67.05499	91.1
69.03435	5.1
69.07064	39.2
69.84121	4.9
69.84533	8.8
71.04991	8.1
79.05486	94.6
81.03413	6.9
81.07048	84.4
83.04962	16.3
83.08612	31.8
84.96510	2.5
85.02879	5.6
91.05477	57.8
93.07033	96.3
95.04954	69.7
95.05563	3.1
95.08598	58.2
95.09176	4.5
97.06532	9.1
97.10159	10.8
99.04438	12.3
99.08082	3.8
105.04550	3.2
105.07023	42.7
107.04954	8.7
107.08592	62.4
109.06518	9.4
109.10147	26.5
111.04427	18.9
111.08109	8.3
117.07005	16.4
119.08569	36.6
121.06499	7.8
121.10126	45.4
121.10933	4.0
123.08081	6.0
123.11731	7.5
125.09609	13.7
129.07031	5.6
131.08546	30.8
133.10133	22.6
135.08070	6.1
135.11681	24.6
139.11147	4.8
143.08572	6.9
145.10107	26.8
147.08031	5.4
147.11664	17.3
149.09596	29.9
149.13284	8.2
151.11172	3.0
153.12654	3.3
157.10123	3.8
159.11665	15.8
161.13292	8.6
163.11163	27.7
163.14813	2.3
165.12778	4.0
169.10074	4.7
173.13301	7.5
175.11241	4.7
179.42259	2.3
181.12207	2.8
183.11711	3.0
185.13176	2.5
187.14873	4.3
189.11195	15.7
205.12285	9.3
223.13257	68.4
239.17986	3.8
243.21107	4.6
247.20676	3.1
257.19025	11.9
261.22220	9.1
275.20050	57.2
293.21075	35.5
317.24582	3.1
335.25894	13.4
349.23752	8.2
390.06549	2.4
545.07355	2.2
609.44904	10.3
627.46149	100.0
628.46631	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	627.4612
Annotation	Unknow
Peak:m/z	Relative Intensity
50.24145	2.2
53.03926	6.0
55.01860	5.5
55.05509	22.1
57.03407	2.1
57.07058	1.9
60.34181	1.7
65.03936	2.6
67.05499	63.8
68.28406	2.1
69.07057	25.2
71.04977	4.4
71.30907	4.3
72.20267	2.2
79.05486	59.0
81.07049	100.0
83.04972	4.2
83.08624	9.9
85.06531	4.8
91.05472	44.5
93.06481	3.8
93.07034	52.6
95.04956	8.1
95.08595	41.9
97.06516	7.3
97.10173	3.4
99.08115	2.6
105.07020	33.3
107.04951	5.9
107.08570	27.7
109.06507	16.8
109.10160	15.8
111.08076	4.4
117.07008	8.8
119.08566	29.3
119.45574	1.8
121.06480	2.5
121.10130	31.0
123.08049	8.0
123.11686	11.3
125.09644	2.2
129.07005	4.7
131.08562	17.8
133.10133	18.4
135.07971	3.6
135.11653	14.0
137.09586	4.2
139.11209	2.4
143.08578	3.1
145.10121	14.8
147.11670	26.6
149.09607	7.0
149.13231	11.1
151.11099	2.4
154.92914	1.8
155.08513	3.5
157.10144	4.9
157.79776	2.0
159.11700	10.1
161.13222	6.2
163.11200	5.3
163.14883	2.7
165.12720	7.1
171.11644	4.1
173.13264	6.6
175.11151	2.6
175.14767	2.1
179.14336	2.4
183.11646	3.6
187.14799	4.4
193.12273	2.5
197.13226	2.0
199.14958	2.5
203.14447	2.4
213.16843	2.5
229.19485	3.3
247.20586	4.3
257.18951	3.6
259.20444	2.2
261.22083	7.8
267.15897	6.4
275.20041	33.5
293.21097	7.2
297.22363	2.2
333.24106	2.9
335.25769	14.7
349.23682	17.0
400.52695	1.9
403.15225	1.9
517.40686	2.5
535.41235	5.0
553.42303	2.8
609.45197	16.2
627.46265	47.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.4613
Annotation	Unknow
Peak:m/z	Relative Intensity
52.50368	2.3
53.03941	4.2
55.01871	12.0
55.05511	27.5
57.03421	5.9
57.07074	2.6
65.03925	4.1
67.05499	69.9
69.07063	27.3
71.04988	5.5
79.05485	53.9
81.03454	2.5
81.07051	100.0
81.07536	4.8
83.04976	7.4
83.08633	17.5
91.05479	51.2
93.07040	47.6
95.04960	9.5
95.08599	42.7
97.06541	11.4
97.10171	5.5
98.20759	7.7
105.07024	43.3
107.04954	6.3
107.08575	23.4
109.06509	20.5
109.10155	15.0
110.95945	2.0
111.08072	4.6
115.05452	2.4
117.07030	11.3
119.08582	31.9
121.06519	4.2
121.10131	22.5
123.08107	5.9
123.11703	9.1
125.09599	3.6
129.07021	5.8
131.08556	19.6
133.10115	20.5
135.07939	2.5
135.11649	12.8
137.09616	3.9
143.08539	7.6
145.10107	16.2
147.11688	18.8
149.09613	8.5
149.13235	11.4
157.10114	3.9
159.11635	12.2
161.13246	6.6
163.11166	3.6
163.14757	3.6
165.12740	6.7
171.11833	2.9
173.13264	7.7
175.14828	3.0
178.49135	2.4
183.11647	3.0
187.14854	3.5
199.14851	2.5
219.22540	2.3
241.78693	2.4
247.20482	3.8
257.19003	2.7
261.22165	5.5
267.15768	2.6
275.20047	38.0
277.21695	3.2
293.21121	6.7
317.24408	2.8
335.25824	21.6
349.23785	12.2
535.41553	3.8
553.41907	3.6
609.45209	20.8
627.46466	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	627.3927
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96758	4.4
58.36454	0.2
69.23647	0.6
69.24049	2.2
71.95129	1.5
71.95560	0.6
72.95926	0.5
72.96295	0.3
74.97457	0.8
74.97906	0.4
84.95874	1.3
84.96416	0.5
89.52207	0.2
91.19932	0.2
92.98516	0.5
97.96687	0.8
97.97248	0.2
98.21583	0.4
98.97494	0.3
104.99992	0.3
110.97541	1.9
115.97704	0.6
116.98522	0.5
123.01019	0.7
128.98596	5.4
128.99446	0.4
131.00005	0.3
133.98753	0.4
134.99533	0.3
137.02548	0.4
141.02087	0.4
143.00032	0.3
146.99637	7.8
147.03172	0.3
149.01131	0.2
152.00020	0.5
155.03688	0.5
161.01187	1.7
161.04733	0.4
165.00711	1.9
167.03645	0.3
169.01610	0.3
169.05275	0.5
170.01033	0.7
170.02357	0.3
171.03102	0.7
173.04616	0.2
175.02580	0.6
179.02101	0.9
179.05695	0.3
181.05180	0.3
183.06775	0.3
185.04704	0.7
187.02625	0.3
189.04213	0.9
190.04907	0.2
193.03795	0.3
199.06290	0.5
203.05901	1.4
209.04720	0.3
217.07399	0.3
223.10054	0.3
225.07811	0.5
227.09421	0.7
235.06407	0.4
237.09888	0.5
239.09438	0.3
241.10971	0.9
243.06610	0.3
243.08980	0.6
244.09868	0.4
245.10535	0.8
249.07813	0.5
251.56891	0.2
252.10287	0.3
258.11176	0.3
259.12241	1.1
263.09567	2.6
264.10309	0.5
265.10977	0.6
270.11279	0.5
277.11078	1.0
281.10535	1.0
282.11368	0.3
284.09140	0.3
285.11639	0.3
289.11145	0.5
291.12656	0.3
295.12061	0.3
303.12692	1.7
313.14661	0.9
315.16263	37.9
316.16559	0.7
317.14160	0.6
321.13684	0.9
331.15756	2.5
333.17322	100.0
334.17688	2.2
349.16620	0.3
351.18378	23.7
352.18900	0.6
356.18927	14.4
357.19247	0.7
374.19965	6.2
375.19846	0.2
397.21909	0.3
527.28821	0.2
591.38184	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.3597
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	1.7
54.50301	1.1
55.01856	2.3
55.05506	6.9
57.03431	2.1
57.07061	2.9
61.02910	1.4
67.05501	14.1
69.03414	5.1
69.07063	32.6
69.47486	7.5
69.47900	2.2
70.06578	9.1
71.04990	15.6
71.06967	1.3
71.08661	1.2
72.08131	2.1
73.06558	1.4
78.27917	1.1
79.05496	6.5
81.07052	54.5
83.04986	3.2
83.08626	5.8
85.02892	13.3
85.06549	11.7
86.03218	1.4
86.09701	3.8
91.05481	4.2
93.07036	17.9
95.04956	4.3
95.08597	35.7
97.02863	1.8
97.06530	19.4
97.10143	4.5
99.04395	1.4
99.08089	10.1
101.05999	1.9
105.07040	13.5
106.87417	1.4
107.08579	24.4
109.02848	1.2
109.06506	2.5
109.10150	42.5
110.07170	1.7
111.08077	37.1
111.11710	2.8
112.88928	1.1
113.09644	3.2
115.07558	5.5
119.08578	8.8
119.16081	1.2
121.10134	16.6
123.08070	2.0
123.11694	21.7
125.09599	3.8
127.03873	2.3
127.07566	1.4
127.11137	1.5
133.10101	7.4
133.22342	1.1
135.11690	14.0
136.07521	2.0
137.05972	2.3
137.09578	1.6
137.13235	5.3
139.11168	29.0
145.10085	3.1
147.11671	15.2
149.13332	5.7
151.11172	3.3
151.14824	1.4
153.01830	1.3
153.12752	9.9
159.11696	3.3
161.13249	6.6
163.14838	4.2
165.12741	5.2
169.12212	2.1
171.13780	1.8
175.14824	3.9
177.05479	1.9
177.16380	5.9
189.16351	2.9
191.17877	1.8
200.55968	1.2
201.16380	2.3
203.17938	16.1
211.20522	2.0
213.12344	1.9
215.18008	2.8
221.18996	11.6
239.20042	100.0
240.20299	1.6
250.67786	1.4
271.24075	3.8
277.25250	3.5
285.12439	1.4
289.25311	9.4
295.26276	4.1
302.04153	1.3
303.04898	5.4
304.04971	1.9
307.26306	39.8
313.27231	1.9
317.06506	16.8
318.06808	16.1
319.07098	17.9
325.27295	14.4
343.28265	6.2
361.29443	4.8
379.30450	1.4
418.08722	1.3
424.37360	1.5
643.78845	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.1549
Annotation	Unknow
Peak:m/z	Relative Intensity
50.66422	0.2
57.03422	0.3
61.02651	0.2
61.02922	2.9
65.94362	0.2
66.59888	0.2
67.40356	0.2
68.99782	0.5
69.03398	0.9
70.06573	0.9
70.12904	0.8
71.04971	0.4
72.08138	0.3
73.02904	0.6
81.03407	0.7
84.08138	0.2
85.02899	5.9
91.03958	1.9
91.05443	0.2
93.03392	0.4
95.04947	0.4
97.02884	2.4
99.04437	0.5
102.03104	0.2
102.17169	0.2
105.03339	0.2
109.02853	0.9
111.00777	0.7
117.07083	0.2
121.02857	1.2
121.03604	0.2
122.43858	0.2
123.04378	0.3
127.03876	1.3
135.04462	0.2
136.07564	0.3
137.02312	2.7
145.02844	0.3
145.04942	1.5
149.02316	0.6
153.01823	3.3
161.05922	0.2
163.03873	0.6
163.05936	0.4
165.01823	2.0
173.05946	0.6
177.05542	0.2
179.06909	0.3
183.02841	0.6
183.04373	0.4
195.02930	0.4
201.05437	1.4
205.05055	0.2
213.05464	0.2
219.06461	0.3
229.04947	4.1
239.03468	0.3
247.05975	0.9
257.04422	2.8
266.98444	0.2
274.04745	0.8
275.05460	0.3
285.03967	1.2
295.87701	0.2
303.04953	100.0
304.05304	1.8
313.87607	0.2
315.04578	0.2
315.13461	0.4
345.05884	0.4
422.78174	0.2
465.10248	12.4
627.39075	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.1552
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03918	0.2
54.13195	0.2
55.01864	0.4
57.03413	0.8
61.02921	1.2
65.03938	0.3
68.99778	0.6
69.03416	2.1
70.06571	0.7
70.77679	0.6
70.85254	0.2
71.04963	0.5
72.08131	0.2
73.02898	0.4
81.03391	0.8
81.07065	0.2
85.02897	8.1
87.04429	0.4
91.03932	0.4
93.03372	0.3
97.02892	2.1
99.04427	0.4
109.02876	1.0
110.03618	0.2
111.00786	0.9
121.02859	1.0
123.04411	0.4
127.03903	1.8
136.07614	0.3
137.02335	2.7
145.04944	2.0
149.02335	0.4
152.07043	0.4
153.01799	4.1
161.05923	0.3
161.34109	0.2
163.03903	0.5
163.06093	0.3
165.01819	2.0
173.05948	0.4
177.05452	0.3
183.02838	0.8
183.04326	0.2
187.03938	0.2
190.73593	0.2
195.03053	0.2
201.05449	1.6
207.06636	0.3
219.06577	0.2
229.04947	4.3
247.05986	0.6
257.04428	2.6
274.04761	0.6
275.05246	0.3
285.03922	1.9
302.04385	0.2
303.04947	100.0
304.05267	1.5
315.13574	0.2
319.04407	0.9
384.21957	0.2
412.97928	0.2
465.10269	12.0
549.60187	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	626.3741
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	22.8
56.05008	4.7
57.03421	5.4
57.07061	11.9
59.05001	4.7
62.98354	3.9
67.05499	36.9
69.03421	8.2
69.07057	54.8
70.06578	21.5
70.17508	16.0
71.04993	11.4
71.08615	3.9
72.08147	3.7
79.05490	23.6
81.03452	4.8
81.07052	100.0
82.45463	4.2
83.04989	7.2
83.08604	19.4
84.08127	8.1
85.02883	12.0
86.09690	5.6
87.00835	4.6
87.04465	4.7
88.64265	4.2
90.93542	3.8
91.05474	18.0
92.72935	3.6
93.07037	88.0
94.54395	3.3
95.04980	21.3
95.08599	82.4
97.02876	6.6
97.06525	12.2
97.10182	8.6
99.08075	5.6
105.07023	30.6
107.04948	5.3
107.08582	52.9
109.06519	5.5
109.10146	46.8
111.08057	18.6
119.08580	21.9
120.08126	7.7
121.06543	6.9
121.10137	40.8
123.11716	36.7
125.05894	5.8
127.03897	6.7
131.08543	8.6
133.10141	14.6
135.11678	38.3
137.05963	7.5
137.09596	7.4
137.13235	23.2
139.11288	5.1
145.10135	17.1
147.11682	10.7
149.13258	14.0
151.11148	12.7
153.12729	14.8
155.10693	11.2
159.11719	12.4
161.13231	12.1
163.11154	11.6
167.07045	22.8
169.12190	8.1
173.13145	4.7
175.14851	4.9
177.16335	8.9
181.04985	5.1
181.12248	25.7
190.01057	4.4
199.13280	6.0
209.07962	3.9
215.17950	4.3
217.19498	3.9
271.24188	12.7
289.25238	23.2
295.26349	9.4
307.26352	43.1
317.06427	5.6
318.06982	7.4
325.27255	19.4
343.28195	6.4
347.08194	4.1
417.15320	6.8
627.29382	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	625.4067
Annotation	Unknow
Peak:m/z	Relative Intensity
60.07649	0.8
67.05493	1.6
69.20892	8.0
77.00435	0.7
79.05480	1.5
81.07046	1.8
91.05487	1.2
93.07045	1.2
95.08611	1.6
98.21541	1.8
105.07005	0.9
107.08616	0.8
157.10103	0.9
173.25081	0.8
313.55988	0.9
560.96198	1.0
576.21271	1.1
625.40649	100.0
626.40771	5.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.4069
Annotation	Unknow
Peak:m/z	Relative Intensity
56.00524	0.8
61.03708	0.9
62.27534	0.8
70.58566	2.8
79.05457	0.9
82.50236	0.9
86.16092	0.8
93.07016	1.2
93.11935	0.8
94.59077	0.8
95.08573	1.6
105.07038	1.1
107.08637	1.1
135.99886	0.8
180.43816	0.9
183.21259	0.7
209.49385	0.8
306.28381	0.9
315.19205	1.5
327.85748	0.9
333.20477	3.4
583.17853	1.1
625.40656	100.0
626.40894	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	625.3417
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03924	4.1
55.01851	3.6
55.05504	18.5
57.07067	13.9
65.03063	2.5
65.03942	4.1
67.05501	39.1
69.03421	20.6
69.07061	46.4
70.06577	18.8
70.71535	8.0
71.04984	27.2
71.08604	6.1
72.08140	5.1
79.05488	22.9
81.03415	6.9
81.07047	100.0
83.04971	71.3
83.08611	9.5
84.04484	4.3
84.08147	9.7
85.02896	26.1
85.06548	13.9
86.09700	7.1
91.05472	24.2
93.07028	49.2
95.04958	58.7
95.08590	65.0
97.02857	5.9
97.06538	14.2
97.10152	7.4
99.04460	8.3
99.08102	18.5
105.07008	41.6
107.04951	3.1
107.08577	42.3
109.02858	4.0
109.06503	20.0
109.10145	60.8
110.07105	4.2
111.08064	9.3
111.11674	4.6
113.05982	36.8
117.06999	6.1
119.08566	37.6
120.08072	4.7
121.06481	5.3
121.10123	41.8
123.08063	5.4
123.11702	47.1
125.09628	4.4
127.03936	3.9
127.07533	4.0
129.05440	4.5
129.06978	3.2
131.08530	8.6
133.10120	20.1
135.08075	4.7
135.11671	20.6
136.07567	3.0
137.05983	3.6
137.09618	5.7
137.13206	14.5
139.11163	24.6
143.08604	3.6
145.02853	4.2
145.10123	15.3
147.08064	4.0
147.11636	25.7
149.13266	13.0
151.11230	4.0
153.01871	3.5
153.12773	3.2
157.10104	9.3
159.11694	14.0
161.13231	20.3
163.11061	6.2
163.14815	6.7
171.11655	5.1
173.13264	8.0
175.14784	9.1
177.05467	3.6
177.16393	11.7
179.17963	4.8
181.12218	5.8
185.13306	3.6
187.14830	4.2
189.12645	3.8
189.16458	4.1
191.14326	3.2
193.19576	5.7
199.14801	3.8
201.16350	5.3
203.17958	12.4
211.20560	18.1
213.16388	10.6
217.19444	5.2
219.09882	2.5
221.19020	8.5
231.17509	5.8
237.18515	4.5
239.20026	34.5
269.22632	12.8
275.23541	4.0
285.04013	3.3
287.23657	18.6
293.24771	10.1
302.04129	9.0
305.24692	45.3
317.06494	78.5
318.06860	6.8
323.25797	57.5
341.26859	21.8
359.24161	3.2
359.27844	18.7
409.34995	2.6
445.11667	4.0
597.74164	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	625.1758
Annotation	Nervilifordin B
Peak:m/z	Relative Intensity
55.01849	0.2
55.40468	0.1
57.03416	0.2
61.02905	0.4
69.03420	1.1
69.07036	0.2
70.06589	0.7
70.68513	0.3
71.04992	0.6
72.08144	0.2
73.02902	0.2
77.54401	0.1
79.05480	0.3
81.03404	0.6
81.07036	0.5
81.98160	0.1
83.04966	0.2
83.47946	0.1
85.02900	3.1
86.09684	0.3
87.04443	0.1
91.03984	0.1
91.05453	0.2
93.07031	0.2
95.04964	0.2
95.08597	0.2
97.02874	0.8
99.04464	0.1
103.05505	0.1
105.06989	0.3
106.04807	0.1
107.04885	0.1
107.08564	0.2
109.02865	0.3
109.06451	0.1
109.10132	0.2
111.04456	0.1
117.03369	0.2
117.06946	0.2
119.08585	0.2
120.08104	0.1
121.10152	0.2
123.00795	0.3
125.09736	0.1
127.03874	0.4
129.05450	0.1
133.06497	1.1
133.10072	0.1
135.04437	0.2
137.05945	0.4
145.02814	0.2
145.04951	0.5
145.10089	0.1
153.01797	0.1
167.07054	0.6
169.01279	0.5
177.05414	0.6
181.05025	0.5
191.06937	0.2
207.06613	0.2
211.57321	0.1
255.06534	0.2
257.04459	0.1
258.05215	7.5
259.05585	0.1
280.10339	0.1
283.05933	0.6
286.04684	8.1
301.07031	100.0
302.04114	0.3
302.07336	1.2
305.24814	0.1
317.06534	3.7
386.48776	0.1
416.14624	0.6
463.12289	6.5
484.19608	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	625.1751
Annotation	isorhamnetin-3-O-rutinoside
Peak:m/z	Relative Intensity
57.03445	2.0
57.95789	0.3
59.50544	0.3
61.02909	0.5
69.03411	1.5
69.92750	0.7
69.93161	1.2
70.02930	0.4
71.04987	13.1
72.91920	0.3
73.02895	0.5
75.04470	0.6
82.85365	0.4
85.02900	15.9
87.04471	0.5
92.02582	0.6
93.03400	0.9
97.02876	1.3
103.78961	0.4
121.02845	0.7
127.03902	1.1
129.05440	3.1
139.03848	0.6
145.04962	1.0
147.06496	1.0
151.03941	0.6
153.01802	5.4
163.90932	0.4
165.01881	0.5
175.80000	0.4
201.05423	0.5
217.04987	0.5
228.04227	0.7
229.04938	2.9
231.06686	0.4
245.04410	1.0
246.05287	1.3
257.04379	2.2
273.03918	1.6
274.04666	3.7
276.72421	0.3
285.03934	4.1
302.04202	11.1
313.74515	0.4
317.06528	100.0
318.06818	1.7
353.71310	0.4
397.56903	0.4
407.74646	0.6
479.11404	0.5
522.42072	0.4
529.97565	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.1756
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.2
55.01875	0.2
55.05496	0.4
57.03190	0.1
57.03431	1.7
57.07058	0.2
59.04974	0.2
61.02918	1.9
65.03926	0.2
67.05495	0.4
68.99779	0.1
69.03430	0.7
69.07051	0.4
69.92685	0.5
70.06584	0.2
71.01330	0.2
71.04987	12.7
73.02913	0.9
73.08257	0.1
75.04454	0.7
79.05490	0.2
81.03407	0.3
81.07048	1.1
82.52075	0.1
83.04970	1.3
84.08138	0.1
85.02897	14.9
85.06552	0.2
85.69867	0.1
87.04448	0.3
89.02434	0.1
90.07647	0.1
91.03942	1.1
91.05462	0.2
92.02629	0.6
93.03397	0.8
93.07030	0.5
95.04961	0.4
95.08611	0.6
97.02892	1.3
97.06515	0.2
99.04439	0.2
105.07016	0.3
107.08575	0.5
109.02874	0.2
109.06519	0.2
109.10177	0.6
111.00719	0.1
111.04430	0.5
113.05997	0.3
113.29662	0.1
115.07577	0.1
119.08575	0.2
121.02882	0.8
121.10136	0.5
122.03686	0.2
123.11689	0.4
126.03183	0.3
127.03910	0.6
129.05476	3.9
133.10075	0.2
137.02333	0.3
139.03914	0.8
145.02838	0.2
145.04936	0.3
145.10109	0.2
147.06508	1.1
147.11641	0.1
151.03894	0.9
153.01816	5.9
153.12679	0.2
165.01878	0.5
166.02626	0.2
177.05484	0.3
177.16336	0.2
183.02881	0.2
200.04623	0.1
201.05473	0.6
203.03413	0.2
211.20546	0.1
213.05383	0.1
217.04941	0.4
218.05710	0.4
223.91914	0.1
228.04120	1.2
229.04916	2.9
231.02901	0.3
239.03244	0.2
243.06435	0.2
245.04436	1.0
246.05206	1.3
251.13678	0.1
256.03577	0.3
257.04449	2.2
260.03281	0.3
261.07458	0.3
271.05997	0.3
273.03922	1.5
274.04688	3.9
284.03229	0.4
285.03909	4.0
285.07062	0.2
286.04446	0.3
299.05438	0.2
301.03317	0.3
302.04181	12.5
303.04422	0.1
305.24713	0.3
317.06522	100.0
318.06882	1.9
323.25665	0.3
329.06503	0.4
341.26654	0.1
359.07568	0.2
359.27954	0.2
383.07553	0.2
479.11783	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.1761
Annotation	isorhamnetin-3-O-rutinoside
Peak:m/z	Relative Intensity
53.03944	0.3
54.33041	0.1
55.01875	0.2
55.05513	0.3
57.03188	0.2
57.03437	2.3
59.18425	0.1
60.04507	0.1
61.02927	0.6
63.96320	0.1
67.05495	0.2
68.00571	0.1
68.99826	0.2
69.03423	1.4
69.07038	0.2
70.06583	0.5
71.04988	12.5
71.52267	0.2
73.02905	0.6
75.04476	0.6
79.05503	0.3
81.03402	0.8
81.07037	0.4
83.04986	0.9
84.08156	0.2
85.02901	17.5
86.09703	0.5
87.04466	0.6
91.03938	0.3
91.05477	0.3
92.02630	0.4
93.03407	0.7
93.07047	0.2
95.04961	0.3
95.08620	0.2
97.02877	1.5
97.06561	0.2
99.04466	0.4
105.07041	0.3
107.08583	0.2
109.02874	0.7
109.10136	0.3
110.07117	0.1
111.04446	0.4
119.04947	0.2
120.08104	0.2
121.02878	0.7
121.10142	0.2
123.11713	0.2
126.03143	0.3
127.03910	0.9
129.05472	3.7
129.06396	0.2
135.11635	0.2
136.77211	0.1
137.02365	0.2
137.06029	0.1
139.03908	0.9
145.04941	0.9
147.04373	0.3
147.06535	1.0
151.03931	0.8
153.01817	5.1
161.05997	0.2
164.07016	0.1
165.01823	0.5
177.05473	0.5
178.05896	0.2
183.02902	0.2
191.03442	0.1
200.04662	0.1
201.05524	0.5
203.03380	0.3
217.05000	0.5
218.05809	0.5
224.46704	0.1
228.04195	1.0
229.04948	2.5
231.02774	0.2
243.06546	0.2
245.04453	0.8
246.05214	1.6
256.03717	0.2
257.04428	2.2
260.03003	0.2
261.07425	0.2
271.06018	0.2
273.03928	1.4
274.01758	0.2
274.04721	3.7
284.03204	0.3
285.03906	3.4
286.04660	1.6
288.06360	0.2
301.03714	0.2
301.07013	3.4
302.04190	11.0
303.04675	0.2
305.24731	0.2
315.04697	0.1
316.05981	0.2
317.06531	100.0
318.06860	1.5
329.06543	0.5
341.06485	0.2
359.07608	0.8
383.07831	0.2
463.12311	0.6
479.11649	0.6
600.39990	0.1
625.20728	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.1755
Annotation	isorhamnetin-3-O-rutinoside
Peak:m/z	Relative Intensity
53.03945	0.4
55.05503	0.4
57.03435	3.0
60.47589	0.3
61.02916	0.9
64.18600	0.3
69.03411	0.9
70.83463	0.6
71.04989	19.6
73.02896	0.6
75.04481	0.8
81.03393	0.3
83.04957	1.0
85.02899	23.7
87.04446	0.7
90.57475	0.3
92.02631	0.7
93.03386	1.0
95.15343	0.3
97.02888	1.3
109.02891	0.5
111.04433	0.8
121.02854	1.1
126.03095	0.3
127.03922	0.8
129.04532	0.3
129.05472	6.3
139.03877	0.7
145.04958	0.6
147.06537	2.5
151.03947	0.7
153.01813	6.1
165.01804	0.7
201.05539	0.9
203.03311	0.5
217.05074	0.4
228.04184	1.3
229.04971	2.8
245.04428	1.0
246.05174	1.7
257.04446	2.2
260.03122	0.5
261.07651	0.4
273.03995	1.2
274.04733	4.8
285.03906	3.9
302.04199	11.8
317.06531	100.0
318.06921	2.2
329.06570	0.9
341.06772	0.3
359.07574	1.8
383.07498	0.6
427.10016	0.5
463.12021	0.6
479.11633	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.1758
Annotation	Unknow
Peak:m/z	Relative Intensity
50.78603	0.2
52.25584	0.2
53.54993	0.2
55.01884	0.2
55.05509	0.4
57.03431	2.8
59.04991	0.2
61.02914	0.9
65.03944	0.2
68.71579	0.1
69.03407	1.0
69.18880	1.9
70.06585	0.6
71.01364	0.4
71.04988	18.2
73.02909	0.7
75.04468	0.9
75.12588	0.2
81.03385	0.4
83.04984	1.0
84.08153	0.2
85.02898	24.2
87.04466	0.7
91.03947	0.5
92.02621	0.5
93.03400	0.5
97.02882	1.2
99.04416	0.2
103.03912	0.2
109.02871	0.4
111.04450	0.7
120.08164	0.2
121.02847	1.0
123.04424	0.2
126.03083	0.3
127.03914	0.9
128.75586	0.2
129.05476	6.9
135.04454	0.2
137.05931	0.2
139.03873	0.8
145.04991	0.6
147.06522	1.6
151.03894	0.9
153.01820	5.2
163.06010	0.2
165.01825	0.7
166.08586	0.2
167.07095	0.2
177.05464	0.4
183.02864	0.2
201.05516	0.5
203.03435	0.3
217.05008	0.6
218.05737	0.4
219.02924	0.2
220.15077	0.2
228.04147	0.8
229.04951	2.6
231.02907	0.5
237.05562	0.2
245.04393	1.0
246.05138	1.2
257.04480	2.1
260.03104	0.3
261.07565	0.4
273.03897	1.1
274.04721	3.6
284.03055	0.4
285.03925	3.9
286.04703	0.4
301.03793	0.2
301.07126	0.3
302.04193	11.6
303.04883	0.2
313.06726	0.2
314.04282	0.4
315.05106	0.2
316.05847	0.3
317.06528	100.0
318.06873	1.7
329.06491	1.6
330.07043	0.2
337.63501	0.2
341.06650	0.5
355.08057	0.3
359.07629	2.5
383.07678	1.1
427.10202	0.5
443.09738	0.3
445.10947	0.2
461.10760	0.6
463.12039	1.1
479.11832	1.5
601.84216	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.1752
Annotation	Unknow
Peak:m/z	Relative Intensity
52.37777	0.2
53.03918	0.4
55.01866	0.2
55.05488	0.5
56.05011	0.2
57.03427	2.9
61.02901	0.5
62.11446	0.2
65.03948	0.2
69.03425	0.9
70.06592	1.0
70.65528	0.5
71.01337	0.3
71.04980	15.4
72.08125	0.6
73.02888	0.6
75.04466	0.9
75.43664	0.2
78.89760	0.2
81.03394	0.6
83.04976	1.0
84.08121	0.3
85.02892	22.6
86.09719	0.3
87.04435	0.6
91.03951	0.3
91.05447	0.2
92.02615	0.7
93.03378	1.0
97.02873	1.2
99.04449	0.3
105.74303	0.2
109.02859	0.3
110.07130	0.3
111.04418	0.4
119.04900	0.3
120.08022	0.3
121.02840	0.7
127.03868	1.0
129.05461	5.7
136.07545	1.5
137.02336	0.3
139.03880	0.8
145.04897	1.0
147.06505	1.5
151.03909	0.8
153.01804	5.3
163.03867	0.3
165.01761	0.4
177.05412	0.2
201.05441	0.3
203.03458	0.3
217.05066	0.4
218.05692	0.6
225.15994	0.2
228.04111	1.1
229.04935	2.7
231.02831	0.4
243.06668	0.2
245.04442	0.7
246.05176	1.1
257.04422	1.9
258.05243	0.5
260.03287	0.2
260.11237	0.3
273.03864	1.4
274.04657	3.4
274.07504	0.3
284.03107	0.5
285.03879	4.0
286.04633	1.9
288.06168	0.2
301.03625	0.4
301.07019	7.0
302.04150	10.6
317.06500	100.0
318.06863	1.2
319.13043	0.2
329.06531	0.4
341.06638	0.3
359.07617	1.0
383.07605	0.3
463.12225	1.2
479.11612	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	624.3592
Annotation	Unknow
Peak:m/z	Relative Intensity
52.21993	7.3
53.58002	8.0
55.01861	9.5
55.05504	30.0
56.56314	7.9
57.07075	11.0
61.46250	9.0
67.05493	34.5
69.03432	23.6
69.07066	57.4
70.06584	29.6
71.05000	11.3
71.52998	9.9
79.05498	18.3
81.03393	10.2
81.07044	78.1
83.04954	12.4
83.08595	25.6
84.04478	12.3
84.08161	9.5
85.02894	43.5
86.09679	62.4
87.00822	13.3
91.05476	28.6
93.07048	37.2
95.04958	17.9
95.08605	77.1
97.02883	21.8
97.10124	15.6
100.11249	9.1
105.01862	17.7
105.07041	40.3
107.08582	39.4
109.06499	20.0
109.10131	49.8
111.04453	17.0
111.11732	9.9
118.37521	8.0
119.08573	34.2
120.08070	19.0
121.06520	8.1
121.10139	36.3
123.11718	33.8
125.06026	15.5
127.03886	19.9
133.10126	29.8
135.08052	14.0
135.11690	18.9
137.09572	19.6
137.13239	14.2
147.11607	18.6
149.09689	10.8
149.13235	15.5
157.10159	12.2
159.07990	10.1
161.09622	20.3
161.13275	15.6
163.14795	12.0
165.09100	12.7
167.10663	14.8
171.08151	8.9
175.14890	9.3
179.10722	8.7
181.05029	18.3
181.12289	11.2
210.14767	8.9
213.51810	7.8
223.17000	9.9
247.16995	9.1
259.24091	10.5
269.22559	13.7
287.23752	32.1
305.24771	100.0
313.97974	8.6
317.06589	23.1
323.25897	53.3
349.56860	8.5
381.38547	8.8
395.25656	9.4
426.26178	9.0
470.19394	10.9
624.27026	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	625.1559
Annotation	Kaempferol 3-(6''-ferulylglucoside)
Peak:m/z	Relative Intensity
53.03932	1.1
63.19830	0.5
66.97678	0.5
69.03409	2.3
69.07057	0.9
70.06584	2.9
71.04975	1.2
77.43996	0.5
79.05466	1.1
81.03403	3.0
81.07054	2.0
84.08112	0.5
85.02907	3.7
86.09668	1.0
89.03912	6.9
91.05466	0.9
93.07032	1.1
95.08585	0.8
97.02888	1.2
99.04417	0.8
105.07018	0.7
107.04927	0.6
107.08583	1.0
109.02874	1.9
117.02526	1.0
117.03367	19.8
119.04930	1.0
119.08585	0.6
120.08067	0.8
121.02840	0.6
121.10204	0.7
123.11682	0.6
127.03904	1.2
134.03633	1.8
135.04410	1.7
135.11699	0.6
137.13353	0.7
143.08527	0.6
145.02835	51.3
147.04379	3.4
149.05975	7.6
151.03867	0.6
151.07571	0.6
153.01849	1.0
163.03935	0.9
165.01791	0.6
167.07077	1.2
168.00597	0.6
177.05457	100.0
178.05840	0.7
181.04950	1.3
186.01634	0.7
186.05472	1.4
195.06532	1.1
287.02243	1.2
287.05481	23.3
300.06277	4.3
301.06717	4.3
302.06894	3.9
315.05136	0.9
315.08582	7.4
316.08939	6.8
317.06390	3.4
317.09592	6.7
321.09741	6.5
339.10770	2.6
359.21707	0.9
416.14951	0.6
479.14502	0.6
548.25885	0.6
625.27850	1.7
625.61029	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.3269
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21693	4.4
55.01877	9.6
55.05496	15.7
55.50642	4.9
67.05157	4.4
67.05501	29.9
69.03415	20.6
69.07042	30.4
70.06579	23.4
71.04998	7.4
72.08145	11.8
77.71214	4.4
79.05482	21.6
81.03403	5.9
81.07053	100.0
83.04974	6.0
83.08611	15.4
84.04500	8.4
84.08163	6.6
85.02892	18.3
86.09683	12.4
91.05471	18.8
93.07030	43.2
95.04952	8.4
95.08603	67.4
97.02881	9.0
97.06517	11.8
97.10193	10.3
98.20688	7.3
99.04462	9.1
99.08082	15.2
105.07004	29.9
106.64704	4.6
107.04978	6.1
107.08583	51.1
109.06512	9.2
109.10147	57.6
111.04445	15.8
111.11719	6.5
119.08575	34.3
120.08124	4.9
121.06477	6.4
121.10136	37.2
123.08047	7.2
123.11681	33.0
125.05977	10.9
125.09646	6.7
127.03918	7.1
129.10226	6.3
131.08589	4.9
133.10094	29.4
135.08051	9.9
135.11682	31.8
137.09596	7.0
137.13251	20.5
139.07526	9.7
139.11151	26.9
145.10146	13.5
146.05954	6.0
147.11658	18.8
149.13196	12.7
151.07520	8.5
153.09111	6.0
153.12746	6.1
154.51468	4.9
159.08049	7.9
159.11707	16.5
161.09541	8.8
161.13280	13.1
165.09109	10.9
167.06992	6.0
169.08517	8.5
171.11726	5.9
173.13190	10.6
175.14832	7.4
176.26341	4.8
177.16444	6.1
179.10704	6.2
187.14822	9.9
189.16524	6.6
191.17906	5.8
193.12294	11.2
195.82704	6.3
201.16335	9.1
207.13791	6.9
247.16908	12.5
254.05844	6.5
257.22571	8.8
275.23541	5.9
285.22064	15.6
299.05450	6.5
300.06369	33.5
303.23123	62.4
304.23526	5.6
315.08600	70.8
321.24182	51.3
339.25308	8.9
357.26450	6.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.0944
Annotation	Unknow
Peak:m/z	Relative Intensity
51.01770	0.7
56.96556	12.8
70.06584	1.9
71.52214	0.9
71.71147	0.8
84.08157	1.6
84.96021	11.1
85.02899	1.1
87.05623	0.7
89.07168	0.8
97.02895	1.0
98.97569	8.6
100.61797	0.7
102.97062	2.0
105.03380	3.8
107.45983	0.7
107.84540	0.7
110.97552	2.1
112.99121	1.3
116.98606	6.7
128.98604	4.1
131.00188	2.5
134.99680	3.1
137.05951	0.8
143.00150	5.6
144.98134	1.2
146.99663	3.2
149.01274	1.9
155.00121	1.5
158.99666	2.4
161.01222	10.2
162.99133	3.2
165.00676	1.3
173.01215	3.1
177.00728	1.9
177.05437	1.0
179.00215	2.0
179.02312	1.4
179.07008	1.6
180.94786	1.3
182.99637	3.7
189.00777	1.4
197.01192	16.7
198.95839	3.0
201.00664	8.2
201.78069	0.8
203.02342	0.9
203.38110	1.0
212.97485	0.7
215.02222	15.0
219.01715	7.2
228.96852	1.0
235.03542	2.4
237.02763	12.3
239.02290	1.1
240.97040	2.1
242.98479	1.4
246.95872	1.7
253.03798	5.5
255.03902	1.3
264.96881	8.4
265.03705	1.2
271.04929	3.1
282.97931	10.7
300.98987	8.3
305.99478	1.7
321.06351	1.0
323.04477	1.9
341.05377	5.7
397.08249	3.8
401.02145	1.2
415.09308	1.4
461.04446	6.8
479.05380	3.0
503.05679	0.9
623.09424	100.0
624.09595	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.2326
Annotation	Unknow
Peak:m/z	Relative Intensity
51.43506	0.5
53.03927	0.5
54.85978	0.6
55.05493	0.7
63.82935	0.6
65.03917	0.5
67.05497	0.6
69.03400	0.8
69.07050	0.9
69.34055	3.1
69.34483	2.1
70.06566	1.5
71.04973	1.4
72.08116	0.9
72.36203	0.5
76.87431	0.6
79.05464	0.9
81.07025	1.0
84.04485	0.6
84.08138	0.5
85.02872	1.8
86.09691	6.7
87.00803	0.9
91.05460	1.2
93.07025	1.1
95.04935	1.1
95.08598	1.4
97.02866	3.0
101.65099	0.5
103.05450	3.8
111.04444	0.6
120.08096	2.6
121.06440	0.7
121.10096	0.9
122.03609	1.2
123.11678	0.7
125.05939	0.7
128.06187	0.6
131.04907	10.2
137.05997	0.7
139.03871	5.3
140.85710	0.5
150.03107	4.4
151.03874	1.0
153.01816	13.0
159.07985	0.6
166.08519	0.6
167.03362	6.1
170.02003	0.7
171.08043	0.6
178.02617	1.2
181.01259	4.1
183.02882	1.3
189.09042	0.8
196.03641	21.8
199.02312	2.6
201.03886	1.1
207.07709	0.8
210.22279	0.5
211.05988	100.0
212.06349	0.9
264.85507	0.6
273.11264	0.8
300.05984	0.6
315.12219	82.6
316.12741	1.3
321.24054	1.2
322.24576	1.4
362.15973	0.8
375.21552	0.8
398.49576	0.5
444.12943	0.6
477.17508	2.1
595.31824	0.8
623.26563	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.1965
Annotation	Pectolinarin
Peak:m/z	Relative Intensity
51.66854	0.1
57.03432	0.2
68.99794	0.2
69.31098	0.4
69.31519	0.7
70.06575	0.1
71.04977	1.0
75.07350	0.1
81.39066	0.1
84.04387	0.1
84.08103	0.1
85.02892	1.3
99.00809	0.2
112.01547	0.3
121.17122	0.1
127.00213	0.4
129.05457	0.3
132.05716	0.3
133.06470	1.0
135.04402	1.5
137.02261	0.1
140.01001	0.3
168.00526	5.8
174.06731	0.2
186.01585	4.8
198.06805	0.2
227.06990	0.2
243.06625	0.2
254.05772	0.3
257.04419	0.9
269.04456	0.2
269.08020	0.4
271.06226	0.2
272.06705	0.6
282.05215	1.2
283.05905	0.2
285.00809	0.3
285.03891	3.5
285.06995	0.3
297.07480	0.2
299.05472	0.4
300.06250	62.4
301.06635	1.8
311.37381	0.1
315.08578	100.0
316.08963	3.0
374.48172	0.1
477.13895	3.7
477.20767	0.2
540.83667	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	622.3431
Annotation	Unknow
Peak:m/z	Relative Intensity
52.45593	4.1
55.01878	6.9
55.05491	7.4
57.07074	3.8
67.05484	14.2
67.24198	4.3
69.03418	11.4
69.07065	33.6
70.06583	7.8
71.04974	4.6
71.53023	5.3
79.05483	9.9
81.03381	5.6
81.07048	25.3
83.04984	4.4
83.08617	14.3
84.08134	4.6
85.02886	13.8
86.09686	11.7
91.05457	8.8
93.07063	23.0
95.04913	5.3
95.08591	23.0
97.02876	7.1
97.06524	11.1
97.10172	5.7
105.07029	9.4
107.08599	40.6
109.06519	4.3
109.10149	30.6
111.08073	7.3
113.55163	4.4
119.08563	5.8
121.06489	8.3
121.10126	19.3
123.11706	9.9
125.05995	28.9
125.09635	8.9
127.03844	7.5
130.48006	4.2
131.08499	6.1
133.10132	10.1
135.08035	25.9
135.11702	10.3
137.09625	49.3
139.11176	4.1
145.04991	5.8
145.10141	9.1
147.11717	4.7
149.13269	8.6
151.11125	4.7
153.09088	9.5
159.08060	9.8
161.13235	6.7
173.13268	5.2
177.09161	4.7
191.17938	6.2
209.18999	10.9
247.16757	7.4
285.22031	7.4
290.32104	4.8
303.23187	50.9
321.20288	5.0
321.24200	100.0
322.24521	6.0
339.25208	15.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.27
Annotation	Methyl pheophorbide b
Peak:m/z	Relative Intensity
53.82790	0.5
62.75919	0.5
69.83163	3.2
70.79964	0.5
71.59515	0.6
86.54162	0.4
90.07460	0.5
106.08638	0.5
128.66917	0.6
153.50923	0.5
249.01559	0.5
286.95554	0.5
325.12164	0.6
373.14691	0.5
375.16064	1.3
376.16931	0.6
387.16177	1.2
388.16962	1.4
389.17743	2.9
390.17953	0.6
391.19232	1.2
401.17792	1.5
402.18387	1.5
403.14536	0.6
403.19455	3.9
404.20068	2.1
405.20770	2.3
415.19562	0.7
416.15881	0.8
417.17065	3.7
417.21155	2.0
418.21710	1.0
419.22418	6.5
420.23178	0.8
429.16650	0.7
430.17496	0.9
431.18091	5.9
432.19476	1.4
433.20215	2.1
445.20001	5.5
446.21054	7.0
447.21725	9.9
448.22522	0.5
459.17438	1.1
459.22220	1.7
461.19998	1.2
473.19211	1.3
474.20349	6.6
475.21161	7.3
477.23434	0.7
487.21582	2.6
488.21820	0.7
489.23624	0.6
491.20728	1.4
501.22675	2.0
505.25806	1.1
507.99402	0.6
533.25507	13.3
546.22504	0.7
561.24902	22.1
562.25592	0.7
589.24158	0.9
593.27594	5.4
621.26990	100.0
622.27374	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	621.27
Annotation	Unknow
Peak:m/z	Relative Intensity
51.33873	0.7
61.79910	0.6
64.91202	0.7
71.26817	1.5
71.67750	0.7
90.91596	0.9
92.78044	0.8
223.12303	0.9
276.24524	0.9
283.17410	0.8
288.78128	0.7
375.16156	1.0
387.16364	2.4
388.17010	2.5
389.17587	5.7
390.18198	2.5
391.19077	1.0
401.17978	1.8
402.14246	1.7
402.18491	2.5
403.14877	0.9
403.19308	6.4
404.20145	5.0
405.20715	2.2
415.14725	1.0
416.15729	1.6
416.20578	1.4
417.17007	4.7
417.20996	4.2
418.17142	1.3
418.21832	1.6
419.22287	11.7
430.17639	2.2
431.18030	10.9
431.23599	1.4
432.18991	4.2
433.20251	2.1
444.19733	1.4
445.20169	8.6
446.20807	5.6
447.21716	13.5
458.21048	1.4
459.17227	1.2
459.21921	2.9
460.23157	1.0
461.19666	0.9
473.19092	1.0
473.23990	0.9
474.20328	12.8
475.21191	17.5
487.14774	1.4
487.21042	5.9
488.22137	1.7
501.22906	2.6
505.25940	2.3
518.22852	1.3
530.93842	1.0
533.25555	14.3
546.22821	1.3
561.24927	89.6
562.17163	1.0
562.25409	2.4
589.24152	1.6
593.27686	4.3
621.26996	100.0
622.27283	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	620.4511
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	4.4
54.05994	2.4
55.01875	4.7
55.05505	8.8
57.07068	2.4
67.05492	27.5
69.07058	10.3
70.13150	4.9
70.13570	9.2
71.05000	4.4
79.05480	21.9
81.03424	4.2
81.07047	65.6
83.08620	7.5
91.05454	21.6
93.07034	17.1
95.04967	7.7
95.08608	16.4
97.06529	4.6
105.07014	23.1
107.04928	8.1
107.08608	11.5
109.06498	23.6
109.10170	5.0
111.71585	2.5
117.07024	7.2
119.08565	21.8
121.06495	6.5
121.10123	7.2
123.08041	3.9
131.08562	11.4
133.10149	15.3
135.11697	3.8
145.10115	9.4
147.11653	15.6
149.09610	8.0
149.13278	3.4
151.11150	2.9
159.11659	7.0
163.11151	5.9
173.13347	4.0
203.14325	2.7
229.19528	3.6
247.20631	3.8
256.23737	2.6
257.18948	6.5
275.20029	100.0
293.21091	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	621.1516
Annotation	Unknow
Peak:m/z	Relative Intensity
51.59942	2.3
54.05053	2.4
56.96556	3.2
69.03419	7.7
69.44344	19.4
70.99841	3.4
73.02893	3.0
82.99836	2.8
85.02909	18.7
90.37210	2.1
91.05449	2.8
94.99861	2.8
97.02884	9.9
97.82317	2.1
98.11659	2.0
98.21465	4.8
98.24595	2.1
98.97556	9.6
100.67908	2.2
101.00854	18.6
107.04954	9.4
109.02861	5.6
113.00861	5.8
116.98609	7.3
119.01914	83.8
120.01998	2.8
127.02434	2.5
127.03902	8.6
127.76836	2.0
131.01900	35.3
133.03450	5.7
137.02919	10.7
142.01096	3.5
143.01883	37.1
145.03432	22.8
145.04892	5.4
146.99565	3.4
147.01346	10.5
149.02939	6.2
155.01860	30.5
157.03479	13.2
157.04570	2.4
158.99611	3.9
159.01398	4.2
160.02177	7.7
161.01561	4.5
161.02946	66.1
167.01907	8.8
167.05560	3.9
169.03430	6.8
171.01392	4.7
171.04990	3.1
173.02945	67.6
175.04507	2.8
177.00836	3.5
177.02423	13.7
177.03963	5.4
177.05409	13.9
179.01901	4.1
183.05086	3.2
184.02145	2.5
185.01340	4.2
185.02943	61.5
185.06508	9.4
187.04521	5.5
189.00487	2.5
189.02409	7.2
189.03996	3.9
191.03923	8.9
195.05037	62.4
197.02936	21.6
197.06735	2.6
199.04507	4.7
201.00726	3.8
203.02252	3.6
203.03972	25.9
207.05002	9.7
209.06606	2.7
213.06184	13.6
214.79597	2.3
215.03979	18.1
218.06674	2.7
219.01677	4.8
219.05046	21.6
221.05016	12.4
223.04485	8.1
225.06062	7.0
227.04024	13.1
229.05693	3.3
231.05138	5.4
233.06679	2.9
235.04510	14.8
237.02727	5.7
237.06133	22.1
239.04022	4.1
243.07176	3.7
245.02544	5.3
245.05046	100.0
246.05278	4.4
247.04535	3.9
249.06050	23.0
251.01314	2.3
251.03931	6.0
253.05565	17.0
254.99055	2.9
255.07063	3.5
257.04913	11.5
261.04462	2.9
261.06451	3.0
263.06042	12.4
267.07089	29.0
269.05179	5.3
270.05765	2.9
270.56027	2.5
271.06635	8.8
272.06299	4.8
275.06131	10.0
277.05597	5.7
279.03372	4.8
279.06305	24.2
279.56366	3.4
281.04968	25.9
290.08685	3.1
291.07019	8.3
293.07425	3.7
295.06616	37.8
297.04593	39.7
305.07361	12.2
307.06506	5.1
309.08163	4.6
315.05527	2.9
317.89453	2.5
321.04446	4.7
321.58191	2.6
325.07523	4.4
335.08163	6.5
337.07617	8.2
339.05597	15.3
339.09192	3.7
351.05511	6.6
357.06598	40.4
365.07333	12.2
369.06085	12.4
369.10651	3.2
375.07794	3.3
379.08722	24.1
381.06845	4.7
383.08148	26.0
387.07535	9.0
397.09790	25.8
399.07895	17.4
401.09369	3.5
405.06650	4.9
423.07742	27.9
441.08856	52.2
442.09076	4.4
446.58279	2.5
450.58856	3.0
459.09811	66.0
477.10339	3.0
545.13165	6.8
557.11920	3.9
599.75989	2.4
621.14661	31.6
621.23169	2.7
622.15845	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	620.4515
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03920	4.0
55.05495	15.4
67.05489	23.4
69.07050	14.9
70.05447	16.7
79.05489	18.8
81.03406	7.2
81.07048	34.5
83.04965	4.6
83.08617	17.9
91.05465	30.8
93.07042	26.2
95.04945	24.7
95.08602	16.6
97.06511	5.9
105.07015	17.4
107.04939	8.9
107.08566	11.8
108.50392	3.2
109.06506	8.9
109.10131	6.4
113.79884	3.1
117.06954	8.0
119.08610	25.0
121.06454	6.4
121.10120	10.5
123.08052	5.2
125.09606	6.8
129.07007	5.4
130.44359	3.4
131.08556	8.2
133.10104	15.5
135.07997	5.9
135.11665	8.2
145.10075	15.0
147.08028	4.2
147.11618	6.6
149.09636	19.9
159.11731	5.4
161.13214	4.3
163.11176	19.2
173.09596	3.7
189.11237	3.9
210.69992	3.7
223.13284	24.5
229.19403	4.1
230.95055	3.6
239.17828	10.0
257.18945	7.6
275.20013	100.0
289.35330	3.8
292.88791	3.6
293.21054	68.0
347.48254	3.8
398.67560	4.0
423.73706	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	620.3072
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	1.0
53.19131	0.5
55.01866	2.6
56.05030	1.1
60.70987	0.5
64.10426	0.5
64.20654	0.4
64.60908	0.5
67.05506	0.5
68.05016	3.5
69.03438	0.6
69.05800	1.6
69.07066	4.1
70.06583	5.8
71.53150	0.7
79.05473	1.1
81.07019	1.4
84.04497	20.4
84.08131	1.2
85.02867	0.5
86.09698	19.7
91.05463	3.2
93.07005	1.6
95.06126	0.7
95.08549	0.6
96.04488	1.9
96.08002	0.5
96.47955	0.5
97.06573	0.5
98.06059	0.6
98.09660	0.9
103.05443	4.0
103.94680	0.5
105.07018	8.7
105.10564	0.4
107.04945	1.5
107.08578	0.6
108.08069	0.6
109.06506	1.8
110.06060	0.5
113.07154	0.5
114.05518	3.1
115.05415	0.7
117.06976	1.0
118.17245	0.5
119.08547	0.9
120.08092	43.5
121.06492	2.6
121.08376	0.7
123.05546	0.7
123.09135	0.7
124.03946	12.0
129.06538	5.4
131.04926	2.1
131.08549	3.6
132.08075	1.6
133.06505	1.0
135.03401	1.1
135.04405	17.6
136.05147	1.2
136.11214	0.6
137.05971	15.1
137.06981	0.7
137.10771	0.5
141.06987	1.5
143.08568	1.0
144.05695	1.2
145.06450	0.7
147.08025	2.3
149.06010	0.5
151.05009	3.9
151.08647	4.2
152.06996	4.6
153.06584	2.8
154.08618	4.5
157.06451	0.8
159.02957	0.5
159.08034	7.8
163.08615	1.4
163.12289	4.1
164.07040	1.4
167.08292	0.7
169.06401	1.2
169.07649	0.6
169.09659	0.7
171.08040	2.4
173.57581	0.4
175.07529	18.8
179.08139	17.4
180.06401	0.8
181.06064	2.1
181.09798	1.2
186.09116	1.2
187.07523	45.3
188.08023	0.9
188.14328	15.5
189.06587	2.2
189.09048	3.0
191.08189	2.3
192.10239	1.1
195.07616	1.5
202.08588	0.6
204.10208	7.2
206.09233	10.9
207.07634	44.7
214.08629	6.7
220.13332	1.1
222.14885	1.3
223.07115	0.7
232.09657	2.9
233.16385	2.9
249.12323	0.8
254.11794	2.3
256.13327	2.3
261.16052	1.5
266.15115	0.7
274.15482	16.6
275.15759	0.6
286.00626	0.6
292.16556	1.2
299.14127	0.5
301.15402	5.6
301.73978	0.5
302.15015	1.7
308.13797	1.0
315.13379	4.7
319.22589	1.1
320.16010	47.7
321.16415	0.8
325.11847	6.2
332.16055	3.6
334.21292	0.9
336.15570	0.8
339.17029	0.9
342.14487	1.1
343.12851	9.8
347.17532	0.5
359.17139	0.9
360.15497	100.0
361.15869	2.1
369.21664	0.8
372.12314	0.6
400.22040	0.7
421.22305	3.1
427.23203	1.1
428.21957	4.0
434.20709	1.9
445.24313	3.2
449.21838	5.6
462.20038	4.4
473.23911	1.8
507.22357	26.5
508.22644	1.0
509.27905	0.8
519.46216	0.6
529.19324	0.7
547.28772	0.7
575.28705	4.5
592.31256	28.4
593.31409	1.3
602.29657	13.1
620.30786	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	620.3075
Annotation	Unknow
Peak:m/z	Relative Intensity
59.32247	1.1
60.04527	1.8
68.05017	3.3
69.07074	5.9
69.43271	8.8
70.06580	3.8
79.05492	2.3
81.07043	2.7
84.04498	34.0
84.08134	1.6
85.02893	1.7
85.05267	1.4
86.09700	30.7
86.10187	2.4
91.05477	7.7
93.07030	6.8
95.04940	1.9
95.08565	1.6
97.06516	1.9
98.20670	2.0
103.05449	8.4
105.07016	7.5
107.08595	2.0
109.10167	2.1
111.05550	4.3
112.03979	1.5
119.04922	2.7
120.08096	55.0
121.06494	48.2
121.08378	1.6
125.07087	1.7
129.06656	1.5
131.08553	1.4
133.10129	2.5
136.07584	1.6
136.16704	1.2
138.09103	1.6
139.04987	6.5
140.03433	3.8
145.06490	5.8
147.11610	1.4
148.07663	1.7
148.11299	1.2
153.06616	3.8
158.09639	2.1
159.08018	3.5
167.08186	2.3
169.06383	1.4
171.07936	2.2
173.05966	6.2
179.08073	5.7
179.11771	1.8
181.06068	3.7
186.09113	24.5
188.14339	9.2
193.60045	1.3
195.07674	16.0
203.11945	1.7
204.10168	3.7
205.06044	2.5
207.07677	2.6
214.08630	3.1
220.82906	1.3
222.08748	3.4
223.07108	28.2
223.09138	2.1
232.09784	1.5
233.16512	8.7
240.13908	1.6
261.15985	2.8
272.14508	1.3
285.15930	2.3
290.15024	8.6
297.12299	1.8
315.13373	4.3
319.22757	1.4
325.11713	1.8
327.13412	1.9
332.15976	2.4
334.21017	1.6
336.15530	7.3
342.14505	2.6
343.12894	24.0
344.16165	6.9
359.17068	3.5
360.15500	100.0
361.15836	2.4
424.54593	1.3
427.23639	1.9
434.20517	2.3
437.21350	1.7
445.24359	2.3
462.20032	2.7
473.23874	2.4
507.22391	44.8
508.22519	1.5
574.30267	2.9
575.28638	2.2
584.28882	1.9
592.31378	18.1
602.29749	22.7
620.30902	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	620.3072
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03968	0.7
55.01871	1.7
57.17382	0.6
59.71131	0.7
68.05029	1.2
69.05831	1.3
69.07062	7.8
70.06590	2.3
79.05489	1.3
84.04495	8.0
86.09701	84.8
91.05471	2.2
93.07021	1.6
103.05446	7.0
106.06551	0.9
115.05472	0.8
118.06520	1.0
119.04960	1.2
120.08096	100.0
121.08455	1.2
124.03941	2.8
129.06795	0.7
130.06517	1.7
131.07294	2.8
132.08105	0.8
133.57980	0.6
134.06004	30.6
135.06802	4.6
136.07608	3.2
141.06978	1.2
144.08070	1.1
145.84610	0.7
146.09627	0.9
151.08650	1.8
153.06572	1.7
157.06494	0.9
160.01083	0.7
163.12183	0.7
166.49045	0.6
169.06499	1.4
174.09142	11.0
179.08124	2.9
181.06152	0.9
181.09727	1.2
186.09126	19.3
188.14285	1.6
189.06583	0.7
191.08142	1.4
196.07600	0.8
203.11745	1.8
206.09232	1.8
207.07614	9.3
209.31215	0.7
213.10176	2.9
231.11143	1.0
233.16473	21.1
236.10565	1.3
238.12247	0.7
251.52660	0.6
261.15979	11.0
274.15479	4.2
297.12305	1.2
297.54813	0.7
314.14948	10.5
320.16034	4.6
322.75635	0.6
324.13358	2.8
341.15912	1.2
342.14471	48.8
343.14749	1.2
347.91949	0.8
360.15518	1.8
369.77783	0.7
409.22113	3.6
421.22220	2.2
427.23340	5.3
438.20029	0.7
444.18939	2.6
449.21213	1.2
455.22864	31.3
456.22888	1.8
489.21329	8.9
491.09930	0.6
556.29016	1.6
557.27283	1.6
574.30176	8.8
584.28204	2.8
602.29492	11.3
620.29382	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	620.307
Annotation	Unknow
Peak:m/z	Relative Intensity
52.76445	0.6
55.01870	1.0
62.34724	0.6
66.46562	0.6
68.05029	1.2
69.05807	1.4
69.07065	6.1
70.06590	1.3
72.33098	0.6
76.94953	0.6
77.64186	0.6
82.34386	0.5
84.04497	7.3
86.09698	76.5
91.05457	2.1
93.07038	1.3
98.21519	1.2
103.05460	6.0
106.06546	1.4
109.26212	0.7
115.05410	0.8
118.06541	1.0
120.08091	100.0
121.08430	1.3
124.03969	3.0
129.06960	1.3
130.06470	1.9
131.07271	2.7
131.08179	0.6
134.06000	22.8
135.06790	4.1
136.07549	3.2
141.06967	1.0
144.08113	0.7
146.05980	1.4
147.06749	0.6
151.05063	1.0
151.08652	1.5
152.08237	0.7
153.06589	1.2
157.06549	1.1
161.24533	0.7
163.12372	0.8
163.67075	0.6
169.06429	1.3
174.09142	7.3
179.08115	4.0
181.09708	0.9
186.09113	14.8
188.14316	1.8
191.08180	0.6
203.11711	1.9
206.09160	2.1
207.07654	8.2
213.10146	2.1
231.11195	0.9
233.16463	32.7
236.10582	1.1
238.12132	1.1
261.15961	17.4
274.15436	4.8
283.14246	1.1
288.67102	0.6
297.12500	0.7
314.14935	9.3
316.20230	0.9
319.17624	0.6
320.15930	5.3
324.13214	1.4
327.13000	0.7
341.16052	0.9
342.14447	47.4
343.14731	1.1
344.15921	1.4
360.15521	3.2
409.22183	3.0
410.20554	1.0
416.19531	0.7
421.22116	2.6
427.23517	3.9
438.19757	0.7
444.19095	2.1
448.03384	0.6
449.21628	1.9
455.22897	23.5
456.22714	0.7
461.21640	0.7
489.14838	1.0
489.21335	16.8
499.96027	0.7
507.22076	2.1
546.22412	0.6
556.28662	2.2
557.27002	0.9
574.30176	8.7
584.28558	2.8
592.31268	1.3
602.29633	22.0
603.29858	1.3
620.30695	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	620.3074
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	0.5
53.48154	0.3
55.01860	0.9
56.05033	0.4
68.05022	4.4
69.03439	0.3
69.04551	0.3
69.05806	1.5
69.07060	3.1
70.06581	2.3
70.12081	0.6
70.12474	0.7
71.00148	0.3
72.08094	0.3
84.04495	17.7
84.08143	1.6
86.06052	0.6
86.09697	22.1
91.05472	12.0
93.07032	2.7
95.04934	0.6
95.06057	0.4
96.04485	2.8
103.05440	1.7
107.04935	1.7
108.08111	0.6
114.05513	3.3
117.06982	0.4
118.06496	0.6
119.04933	8.1
120.08106	0.7
121.06492	35.2
122.06797	0.5
123.09149	2.2
124.03941	5.8
128.06209	2.6
129.06573	4.9
131.04900	0.4
131.08511	0.8
133.06488	0.5
134.05972	0.3
136.07564	40.8
137.07913	0.6
137.10753	0.3
138.09132	0.7
141.06956	0.4
143.08528	3.6
145.06494	0.8
147.04373	2.4
148.07533	0.8
151.05034	1.6
151.08641	10.3
152.08096	0.4
153.06676	1.1
159.08044	10.2
163.08601	0.5
163.12271	2.0
164.07021	0.5
169.09705	1.4
171.08031	21.7
172.08307	0.3
173.09615	1.9
176.10782	0.7
177.10303	0.3
178.08615	0.4
178.09923	0.3
179.08134	37.3
181.06055	1.9
181.09639	0.4
181.13319	0.8
183.08017	0.4
186.09187	0.5
188.10675	5.2
189.06589	1.5
190.06824	0.3
191.08182	1.2
191.11757	0.5
197.09178	0.3
198.09131	4.6
202.08687	1.0
204.13818	5.9
205.13199	0.7
206.09232	6.5
207.07626	32.1
208.07918	0.7
214.08607	0.8
215.11780	0.6
216.10123	2.5
220.14365	0.6
224.10258	0.7
231.11296	0.5
245.34517	0.3
248.13971	0.4
249.15990	5.8
256.13333	1.2
257.12540	0.3
267.20834	0.3
271.14526	0.4
274.12494	0.4
274.15482	8.3
276.17084	0.3
277.15414	1.6
281.12729	0.3
292.16516	1.8
294.14651	0.3
299.13846	8.8
300.14124	0.3
301.15515	1.4
302.15085	0.6
309.12311	6.5
316.16486	3.0
318.21838	0.9
319.17642	0.5
320.15991	12.0
324.13486	1.0
326.14990	1.0
327.13361	26.2
328.13773	0.8
342.14539	0.4
343.17538	2.3
344.16013	100.0
345.16293	2.3
368.19604	0.6
369.21768	0.4
370.14154	0.5
384.15466	0.3
386.70120	0.3
411.23975	1.6
412.22314	0.5
429.24924	2.3
434.20892	2.2
436.25546	0.5
437.21790	2.1
457.24478	3.7
462.20096	2.1
465.21387	2.6
489.21408	0.4
507.22360	32.0
508.22507	1.2
509.27954	0.7
547.29083	0.6
574.30151	1.9
575.28534	2.4
592.31256	16.7
593.31177	0.7
602.29681	15.8
603.29846	0.6
620.30707	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	619.2013
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	2.4
55.01856	1.9
55.93486	0.6
57.03427	0.9
57.56124	0.6
61.02925	0.7
65.85087	0.5
68.99763	0.9
69.03425	4.4
69.58531	4.7
70.06564	1.2
72.08128	0.6
73.02909	0.7
78.04694	1.8
79.05495	6.0
81.03405	4.4
85.02895	10.3
87.00808	2.3
87.18740	0.6
91.05485	3.6
95.04959	1.5
97.02862	1.7
99.04430	1.8
103.05466	2.0
105.01856	1.2
105.04520	0.6
105.07037	5.7
106.04149	1.7
107.04947	12.2
109.02882	3.6
115.05410	3.7
115.87696	0.6
116.06282	0.8
116.75314	0.7
117.06956	1.1
118.04142	1.2
119.08547	2.1
121.06488	1.3
123.04389	4.8
124.05183	4.8
125.05992	1.2
127.03915	6.1
128.06198	2.6
129.06996	5.1
130.04147	0.7
131.04916	4.4
131.08524	0.7
132.05678	2.4
133.06502	4.9
134.19968	0.6
137.06010	1.3
140.04646	0.6
144.05711	1.6
145.04922	1.4
145.06462	2.4
147.08022	2.9
149.05949	1.3
151.03867	1.0
152.04665	2.6
153.05466	2.8
155.04871	0.9
155.07037	0.8
156.05711	0.9
159.02864	1.8
159.08044	6.7
160.05185	1.4
161.05981	7.4
167.07022	100.0
168.07454	0.6
169.06482	0.7
171.04332	0.6
172.05199	1.9
173.05959	1.1
175.07530	24.2
176.04683	1.1
177.05446	1.4
178.07759	0.9
179.07005	1.3
184.05174	1.3
187.07526	18.7
189.07079	0.6
189.09111	2.2
190.07829	1.3
191.07025	11.2
191.08571	1.5
193.08607	1.6
199.07529	9.5
202.07706	1.2
203.08562	3.6
206.07227	1.3
207.08035	1.6
209.08076	2.6
215.08514	2.1
217.06491	0.7
217.08598	1.7
218.07288	3.8
219.08003	2.4
220.08830	1.4
221.09616	2.9
229.06393	1.2
230.07301	0.8
231.08034	2.8
232.08777	1.1
233.09613	4.5
234.06757	1.5
235.07542	2.8
243.08063	1.2
243.80444	0.6
245.05878	0.9
246.06714	2.8
247.07526	2.5
248.08452	1.3
249.09094	5.9
250.09848	1.8
251.07048	2.1
257.06021	1.7
259.07574	2.0
260.08246	1.8
261.09024	6.7
262.06290	1.1
262.09824	1.0
263.07019	2.2
263.10608	1.1
265.08569	1.0
266.09299	1.1
274.06100	2.2
275.07025	2.3
276.07748	1.1
277.08609	3.5
278.09305	3.0
279.06683	1.3
279.10138	1.2
281.11737	7.3
288.07693	0.8
289.08582	6.1
290.09406	1.6
291.06616	1.3
291.10153	2.3
292.07147	0.7
293.08344	0.9
293.11578	3.3
294.08923	1.6
295.09677	1.5
305.08063	1.1
306.08823	2.3
307.09540	2.0
309.11255	7.8
310.12131	0.8
321.11212	12.6
322.11969	1.8
323.09030	0.8
326.11432	2.3
333.11346	0.8
338.11539	0.9
341.13809	29.1
353.13791	28.6
371.14761	1.1
395.14792	1.0
553.17706	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.2602
Annotation	Unknow
Peak:m/z	Relative Intensity
51.73423	0.8
53.03926	1.4
67.05492	2.1
69.07060	6.4
69.96343	4.6
70.06573	1.4
79.05500	1.2
81.07053	2.2
84.08121	1.4
86.09693	1.5
91.05453	1.2
93.07050	1.5
94.06564	9.4
95.04960	1.8
95.08620	1.0
105.07012	1.2
106.06515	1.2
108.08092	1.2
112.07639	1.9
120.08098	2.4
122.06011	29.2
123.04430	2.3
137.09605	1.2
140.05962	2.0
140.07050	44.3
146.06020	5.1
148.07556	50.6
172.04004	1.5
174.05518	2.8
190.05031	3.6
199.12325	1.4
211.08640	2.3
213.10185	1.2
225.10204	1.7
227.11787	11.1
239.11844	1.4
243.11282	1.3
245.06401	6.1
251.11763	2.0
261.12466	1.5
269.12955	3.8
279.13565	1.4
283.10858	2.0
284.11337	1.2
285.12405	3.3
286.12997	1.4
287.13873	100.0
288.14322	3.4
289.05304	15.3
297.12286	1.9
301.11923	1.5
305.15070	2.6
313.11951	3.4
316.14435	3.8
317.15607	0.9
321.26297	1.9
329.15320	1.2
330.15997	3.1
331.12918	2.5
331.16776	4.8
339.27509	1.3
344.14008	1.4
344.17621	1.6
351.28836	3.6
358.15500	2.5
359.16034	1.2
369.29660	4.5
372.17316	1.6
373.18170	1.8
384.13333	1.8
390.18167	4.6
398.15240	1.6
399.15866	2.6
400.16415	3.3
411.29535	2.3
414.18140	1.5
416.16443	0.9
432.19171	9.0
433.19989	4.4
435.27521	1.0
458.17032	3.3
459.17743	1.8
531.34723	2.0
573.27130	12.5
573.36176	7.7
599.25092	7.3
599.33337	1.5
600.25494	1.5
617.35126	57.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	618.4273
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	8.7
55.01898	5.6
55.05505	48.7
62.14458	4.3
65.03924	7.5
67.05495	43.0
69.03429	13.0
69.07055	18.8
71.05006	16.2
79.05470	35.2
81.07056	54.8
83.04967	21.3
83.08616	65.0
85.06557	8.4
86.09681	5.0
87.04443	7.6
90.82758	4.4
91.05485	56.9
93.07034	57.2
95.04981	37.4
95.08589	45.5
97.06527	25.8
97.52858	5.0
103.43697	4.5
104.10728	20.2
105.07026	100.0
107.04929	4.8
107.08585	77.0
109.06498	10.4
109.10161	34.6
111.08067	7.6
113.09595	11.0
117.07011	28.1
119.08578	83.9
121.06506	11.6
121.10139	58.7
123.08060	15.1
125.09586	23.7
128.06232	17.5
129.06990	21.4
130.85254	4.5
131.08549	54.5
133.06470	5.2
133.10112	53.3
135.08034	15.0
135.11662	9.4
137.09596	9.4
139.11150	18.3
141.06952	11.2
142.07742	23.7
143.08554	40.6
144.09320	16.1
145.10110	67.4
146.10796	7.0
147.08070	12.1
147.11667	24.1
149.09598	12.8
155.08548	16.6
155.10663	15.8
156.09357	31.9
157.10120	68.0
158.10780	6.4
159.08051	17.2
159.11688	31.5
160.08812	12.0
161.09625	15.5
161.13347	5.2
163.11131	8.0
165.06981	6.5
167.08527	13.0
167.10654	13.5
169.10170	32.2
170.10934	9.1
171.10207	7.3
171.11652	40.3
173.09605	14.1
173.13193	15.8
175.11176	17.0
179.08531	14.6
179.14322	5.5
180.09225	7.6
181.10120	19.3
181.12180	30.0
182.10907	18.0
183.11736	31.9
184.12495	6.0
185.13255	25.5
187.11143	5.6
187.14792	10.7
189.12743	5.5
191.14342	8.4
192.09331	6.7
193.10146	18.5
194.10886	12.9
195.11783	24.4
196.12442	12.8
197.13258	41.2
199.11189	6.2
199.14856	11.4
203.14250	9.3
205.10129	5.0
206.10844	9.7
207.11667	17.0
208.12439	5.7
209.13263	25.8
210.13962	5.7
211.14839	24.4
213.12749	11.3
213.16335	5.6
215.14247	14.6
220.12468	9.9
221.13258	18.0
221.15379	26.1
222.14139	5.5
223.14825	15.7
225.12704	5.7
225.14725	10.1
225.16724	6.0
227.14247	5.5
231.11688	6.5
233.13193	7.9
233.15280	47.0
235.14783	6.9
237.16466	10.9
247.14699	7.1
247.17001	5.9
249.16280	10.0
251.18008	8.9
253.19409	6.2
255.17404	42.3
261.16422	7.0
263.18002	7.2
268.17902	5.7
269.19022	5.8
271.20438	5.5
273.18506	7.3
281.19049	7.7
283.01819	31.5
283.20291	7.3
286.19409	6.9
299.20062	6.4
311.20093	6.5
337.21085	6.3
337.24954	6.1
347.23718	6.2
365.24615	10.6
383.25702	19.9
414.28476	5.2
457.31210	8.2
618.42023	11.5
625.78992	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	616.4117
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	48.6
57.07060	10.3
61.21354	4.7
62.43848	5.4
65.03933	6.5
67.05503	35.7
69.03418	21.5
69.07060	15.6
71.04957	10.4
71.53301	4.8
73.02980	5.0
79.05489	37.4
79.28925	5.8
81.07048	41.1
83.04980	28.4
83.08614	78.7
85.06530	6.1
87.04402	5.4
91.05472	55.2
93.07037	65.9
95.04955	40.8
95.08613	33.3
97.06540	26.6
104.32741	5.2
105.07024	93.4
107.08588	91.6
109.06512	24.5
109.10146	29.8
111.08056	12.5
113.09634	12.4
115.05468	6.7
115.45725	5.3
116.06224	7.5
117.07010	32.3
119.08594	59.8
119.93909	5.8
121.06535	28.8
121.10141	52.6
123.08063	24.9
123.11690	9.1
125.05968	11.9
125.09610	41.7
128.06187	16.6
129.06961	27.3
130.07776	12.7
131.08569	40.5
133.10130	38.6
135.08034	24.2
135.11664	9.7
137.09616	10.4
139.11174	19.8
141.06979	16.1
142.07767	24.9
143.08551	54.9
144.09334	15.0
145.06479	9.9
145.10124	60.7
147.08040	19.4
147.11691	26.3
149.09587	16.1
153.06998	6.9
153.09090	6.7
155.08562	29.6
155.10640	13.4
156.09344	18.7
157.10107	52.8
158.10869	11.9
159.08057	100.0
159.11684	29.6
160.08775	6.7
161.09622	17.2
163.11092	6.3
165.07007	9.2
167.08562	10.9
167.10667	18.0
168.09232	8.1
169.10097	38.2
170.10867	11.2
171.11650	36.4
172.08853	7.1
173.09616	20.3
173.13281	18.9
175.11188	15.4
179.08629	19.4
179.10466	5.3
180.09384	11.2
181.10100	23.8
181.12251	11.4
182.10945	10.1
183.11685	24.4
185.09607	13.7
185.13229	21.9
187.11229	14.3
187.14810	7.4
189.12737	11.5
193.10097	18.1
194.10857	16.1
195.11693	38.4
195.13374	6.5
196.12471	8.3
197.09637	9.1
197.13312	33.2
199.11147	7.7
199.14795	11.9
203.14291	6.8
206.10831	9.0
207.11667	16.4
208.12447	13.2
209.13307	26.8
209.15109	8.7
210.13989	9.6
211.11211	10.7
211.14792	23.3
213.12682	26.2
213.16267	7.2
219.11598	13.1
219.13533	6.4
220.12428	11.9
221.13234	14.0
221.15392	19.0
223.14912	11.1
225.12726	11.1
227.14270	9.7
233.13286	12.3
233.15352	26.1
235.14790	14.4
235.16994	8.4
237.16516	9.6
239.14340	5.9
241.15881	9.8
245.13191	9.5
247.14775	11.9
249.16301	10.7
253.15787	8.4
255.17427	22.1
257.18826	6.2
259.14697	8.2
261.16327	9.1
265.15707	6.0
267.17435	7.2
269.18878	8.1
281.19125	6.0
285.18527	11.1
286.19254	5.6
293.18976	6.9
297.18533	8.8
299.20038	9.8
381.24127	23.5
520.35266	6.7
523.76892	7.4
569.46735	5.8
584.91400	5.4
598.39417	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	615.4976
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	3.3
55.05509	24.5
56.87883	1.8
57.03426	5.1
57.07061	7.8
65.03943	3.7
67.05498	56.0
69.07061	26.3
71.03716	5.2
71.04972	2.8
74.13384	1.7
78.43528	1.6
79.05486	31.0
81.07050	67.8
81.07530	3.8
83.08613	13.2
83.66677	1.5
85.06553	2.9
91.05471	21.4
93.07037	40.5
95.04974	4.2
95.08597	47.6
95.09179	3.4
97.06525	3.5
97.10174	7.8
105.07017	26.2
105.07673	1.8
107.08577	27.5
109.06529	1.7
109.10149	25.6
111.11687	2.0
116.79128	1.6
117.07026	6.6
119.08574	23.8
121.10133	18.2
123.07987	1.8
123.11691	8.1
125.92387	1.8
129.07047	3.6
131.08554	11.4
133.10097	16.9
135.11687	12.1
137.13255	4.8
143.08548	3.8
145.10109	11.3
147.11668	16.2
149.13234	9.2
157.10175	4.7
159.11671	10.1
161.13264	9.0
163.14835	7.2
171.11655	3.6
173.13301	7.3
175.14893	4.9
177.16382	2.6
185.13271	2.0
189.16380	3.3
195.45033	1.7
199.14703	1.9
201.16371	2.6
203.18019	2.6
213.14825	1.9
217.19513	2.7
243.21049	2.3
259.20694	5.5
261.22177	10.9
335.25763	8.8
337.27310	13.3
339.29123	3.2
523.44897	5.6
531.40216	4.0
541.46185	3.8
541.59320	2.0
589.82794	1.8
597.48718	13.4
615.49725	100.0
616.49438	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	615.4977
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	3.2
55.05507	24.2
55.95530	2.3
57.03422	6.9
57.07067	7.1
59.31430	2.1
67.05499	62.6
69.07063	31.6
69.33750	21.4
71.08634	2.6
73.08777	2.0
79.05064	3.5
79.05484	33.4
81.07049	66.5
81.91336	2.1
83.08624	15.2
91.05463	24.1
93.07033	41.6
95.04953	4.7
95.08594	56.4
97.06523	2.4
97.10166	9.8
99.08123	2.7
102.59706	2.1
105.07020	27.8
107.08579	33.6
109.06538	2.1
109.10139	21.6
111.08092	2.7
117.07007	7.0
119.08562	25.9
121.10135	24.1
123.11702	10.2
128.06198	2.1
128.25554	2.4
131.08554	18.9
133.10118	18.7
135.11606	11.1
143.08592	5.1
145.10081	13.9
147.06573	2.0
147.11690	15.4
149.13280	8.2
157.10117	3.9
159.11693	9.2
161.13278	8.7
161.84718	2.1
163.14812	4.9
165.16362	2.2
171.11658	6.3
173.13232	5.0
175.14845	5.1
187.14877	6.3
189.16454	3.9
199.14891	3.2
201.16495	4.4
229.19579	3.7
233.22635	2.5
243.21091	3.2
248.56940	2.3
259.20560	5.2
261.22220	9.5
299.30310	2.2
335.25922	7.7
337.27429	13.7
339.28934	2.8
347.26233	2.6
425.17871	2.5
523.45331	4.2
541.46344	4.5
559.44653	2.5
597.48688	13.4
615.49768	100.0
616.50311	5.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	614.3317
Annotation	Chasmaconitine
Peak:m/z	Relative Intensity
50.26785	0.3
55.05488	0.6
57.07069	6.3
58.06593	2.4
64.10074	0.3
65.03920	1.1
68.05000	0.3
69.07060	0.4
69.97708	1.6
70.06586	18.1
71.08619	2.8
72.08147	0.4
76.58643	0.3
84.08105	0.5
85.10181	0.8
88.07618	21.1
101.66412	0.3
102.09168	16.4
103.05449	0.4
105.03343	0.4
121.02843	0.3
131.04922	0.7
139.03839	0.4
149.02325	42.2
149.03384	1.8
150.02664	0.7
153.06917	0.5
175.03897	1.0
193.04942	51.3
194.05278	0.8
212.23642	0.6
219.06473	1.2
225.05482	0.9
256.26321	44.3
257.26678	1.4
269.04379	1.7
297.03915	2.6
313.06967	2.7
341.06528	12.1
359.07587	7.1
362.33148	0.4
385.09125	51.0
386.09427	1.8
405.98663	0.3
520.27551	0.3
596.32214	0.4
614.33142	100.0
615.33435	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	615.3353
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	2.1
67.05508	2.9
69.07059	3.0
70.06586	3.1
71.53008	1.5
72.08148	1.5
76.76020	1.4
81.07051	4.2
84.08135	1.6
85.02903	2.6
86.09689	2.6
91.05472	3.6
93.07074	2.1
95.08588	2.8
105.07023	2.1
107.08592	2.8
109.06554	1.6
117.07041	1.5
119.01876	2.4
119.08594	2.4
120.86976	1.5
137.05969	2.8
161.03001	2.1
167.06976	2.8
172.75299	1.3
187.00821	1.9
203.05284	3.6
218.71307	1.6
245.06328	10.8
251.09975	1.4
271.04269	1.4
273.40521	1.7
289.05286	37.7
291.19611	4.4
330.99246	1.9
349.26923	4.3
367.28305	9.3
373.25958	1.9
391.27219	1.9
409.27872	3.6
553.32916	2.1
571.25873	2.9
571.34302	15.7
579.31476	4.1
597.32611	13.3
615.25122	3.5
615.33466	100.0
616.33374	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	613.4817
Annotation	1.3-dilinolenin
Peak:m/z	Relative Intensity
50.78932	1.3
53.03928	2.9
55.05505	21.6
57.03420	5.0
57.07055	4.2
65.03918	1.6
65.21237	1.3
65.43321	1.4
67.05498	53.8
69.07060	18.4
70.85698	4.1
71.04974	1.5
72.16133	1.8
79.05486	27.9
81.07047	55.4
83.08608	8.8
91.05473	19.1
93.07039	32.5
95.04955	3.0
95.08596	43.9
97.06570	1.8
97.10168	4.0
105.07023	23.2
107.08570	20.2
109.10140	21.9
117.07021	9.7
119.08581	21.9
121.10136	15.5
123.08122	1.7
123.11677	7.7
125.16045	1.4
129.06987	3.1
130.31935	1.4
131.08553	19.5
133.10112	19.7
135.11655	11.2
137.05984	3.7
137.13275	2.7
141.06940	1.6
143.08559	5.2
145.10101	15.6
147.11681	14.5
149.13242	8.5
151.14796	1.9
154.24594	1.3
155.08543	2.6
157.10123	6.6
159.11662	10.9
161.13255	8.9
163.14868	4.3
169.10043	2.1
171.11736	4.1
173.13263	8.7
175.14833	5.9
177.16391	2.1
183.11681	1.9
185.13295	3.9
187.14746	7.4
189.16383	2.2
197.13333	1.8
199.14844	4.1
201.16470	3.8
203.17979	2.9
213.16429	2.0
215.17953	1.8
231.21115	1.9
241.19539	2.3
245.22838	1.4
259.20493	7.3
261.22052	8.1
277.18195	3.7
315.26715	1.6
317.24744	2.3
333.24280	5.4
335.25735	12.4
337.27255	8.2
424.66583	1.7
467.46704	1.5
470.97452	1.6
489.35684	2.1
503.37146	2.0
521.43414	6.9
539.44775	3.8
543.40491	1.9
595.47217	10.6
613.48199	100.0
614.48480	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	613.2702
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	7.5
64.46986	3.2
67.05495	6.6
69.07056	5.3
70.06586	10.9
70.65618	7.8
70.65950	4.0
71.04968	4.9
72.08137	4.2
76.01070	3.2
79.05483	11.2
81.07053	17.8
83.04971	6.6
84.04500	3.8
85.02902	9.7
86.09673	5.1
91.05484	6.5
93.07011	18.6
95.04973	6.6
95.08600	17.6
95.72813	3.2
97.06515	10.6
99.04444	7.7
105.07013	14.5
107.08561	7.2
108.41672	3.9
109.06509	16.1
110.76665	3.8
111.08064	10.8
119.08567	9.5
120.08077	5.0
121.06499	31.1
123.11728	6.6
125.05975	12.1
127.07550	3.6
133.10155	6.8
135.08061	6.9
136.07561	10.4
139.07536	11.9
143.06975	4.5
143.08554	7.9
147.11656	20.0
157.08606	7.8
157.09969	5.8
159.06505	7.3
161.13281	6.8
164.07100	7.0
165.12782	4.0
169.12221	7.5
171.11678	5.4
175.11185	15.0
184.25504	3.7
189.12709	14.3
193.12222	12.7
199.11212	13.5
207.13710	4.7
211.13252	17.0
217.06886	3.7
217.12247	44.5
229.14383	10.1
235.13255	70.2
243.14900	11.4
253.14317	100.0
271.15289	17.8
289.16104	29.5
324.92624	4.9
553.58081	3.6
633.30804	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.4817
Annotation	1.3-dilinolenin
Peak:m/z	Relative Intensity
53.03926	2.7
55.01850	1.4
55.05236	1.3
55.05503	19.1
57.03432	7.2
57.07047	4.3
65.03938	2.1
65.84410	1.1
67.05497	61.1
69.06730	1.6
69.07063	21.1
69.83736	6.2
71.04988	1.7
79.05482	37.9
81.07044	67.5
82.07357	1.1
83.04952	1.9
83.08612	11.0
85.06532	2.5
91.05472	27.6
93.07030	44.3
95.04964	2.6
95.08593	51.7
97.06508	2.9
97.10163	8.2
99.08101	1.4
103.86906	1.0
105.07017	27.4
107.08582	31.0
107.38042	1.3
109.06477	1.7
109.10143	27.9
111.08054	2.2
111.11671	1.3
117.06989	11.4
119.08568	29.1
121.10123	19.9
123.11681	10.6
125.09560	1.1
129.06998	4.7
130.07855	1.0
131.08551	19.7
133.10104	22.5
135.11674	18.1
136.07181	1.2
137.13252	5.0
143.08571	7.7
145.10100	23.4
145.11125	1.0
147.11656	18.4
149.13254	8.0
151.11183	1.1
151.14790	1.9
155.08591	2.5
157.10110	6.4
159.11707	15.4
161.13220	12.3
163.14796	5.3
165.73782	1.1
169.10101	3.6
171.11705	7.8
173.13240	14.1
175.14827	5.8
183.11736	2.1
185.13255	5.9
187.14804	7.6
189.16338	3.2
191.14377	1.3
193.43330	1.2
197.13240	1.9
199.14851	4.9
201.16478	3.7
203.17955	1.7
205.83279	1.1
213.16428	2.7
215.18016	2.5
217.19624	1.5
227.18077	1.7
231.21034	1.6
241.19513	3.0
243.21124	3.9
259.20514	7.9
261.22119	14.7
263.23642	1.7
274.79547	1.3
285.22067	2.2
299.23706	2.1
317.24826	2.0
321.24570	1.5
333.24200	8.5
335.25751	15.3
335.29422	1.5
336.26062	1.3
337.27414	9.5
369.31519	1.4
383.33664	1.3
489.35767	2.9
503.36887	2.2
515.37067	1.2
521.43689	4.6
529.38995	2.0
539.44580	5.3
543.40320	2.2
595.46881	11.9
613.48181	100.0
614.48633	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	611.4666
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	1.4
55.01870	3.0
55.05511	16.5
55.60123	1.5
57.03428	2.9
57.07063	2.5
58.19118	1.4
65.03917	3.0
65.23932	1.6
67.05500	41.6
69.07067	14.2
70.78377	2.1
70.78716	3.3
71.04982	3.3
71.08615	2.6
72.00887	1.5
79.05067	2.6
79.05489	29.9
79.05917	2.4
79.42528	1.4
81.07050	44.7
83.04971	1.5
83.08602	7.6
91.05471	26.7
93.07037	31.3
93.27482	1.6
95.04961	3.2
95.08599	33.1
97.06512	2.3
97.10170	3.5
105.07035	26.7
107.08581	18.3
109.06498	3.7
109.10154	15.9
111.08106	2.1
117.06997	11.1
119.08566	24.9
121.10120	14.8
123.11690	3.9
127.11835	1.8
128.06230	1.5
129.07014	8.4
131.08566	21.5
133.10120	16.8
135.11717	10.0
137.06010	4.4
141.07004	2.9
143.08542	11.1
145.10110	20.7
147.11685	15.4
149.13287	6.7
155.08545	4.6
157.10133	11.9
159.11688	18.5
161.13231	8.7
163.14778	2.6
169.10144	7.3
171.11691	12.7
173.13280	14.0
175.14864	5.7
181.10130	2.5
183.11739	5.0
185.13182	8.3
187.14859	6.5
195.11751	3.1
197.13263	5.0
199.14780	3.9
201.16415	4.6
209.13222	2.0
211.14893	4.2
213.16469	4.8
215.17998	1.8
225.16519	2.6
227.86632	1.6
231.20993	1.6
239.17953	2.9
241.19550	7.5
257.18985	3.5
259.20547	15.8
261.22180	3.3
275.20120	2.4
279.76590	1.8
300.60391	1.6
309.22314	1.9
317.25308	1.7
333.24280	8.5
335.25766	10.2
339.26901	2.0
353.28430	1.6
519.42352	8.0
537.43005	2.9
541.39038	1.9
593.45850	8.4
611.46667	100.0
612.46985	2.3
620.32947	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.4148
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05497	2.0
69.07039	1.8
70.26953	7.6
77.00909	12.0
79.05479	6.1
81.07037	2.7
93.07013	5.8
95.01922	11.3
105.07020	2.8
107.08575	2.8
107.56542	1.8
117.06991	2.5
131.01897	8.8
133.10144	2.8
149.02927	8.0
158.07648	1.9
187.08147	2.7
205.09262	2.2
215.11270	5.5
233.12300	2.4
247.11829	4.4
261.13269	2.0
267.14474	2.2
273.76685	1.8
288.20892	2.1
297.17038	3.8
299.18509	58.7
300.18665	2.8
315.18054	24.8
317.19589	100.0
318.19809	4.1
319.21124	3.4
333.17148	3.3
335.20773	29.7
338.19745	2.5
340.21243	20.0
353.21710	3.7
358.22339	2.5
575.39246	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	611.4664
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00272	1.8
53.03934	3.4
55.05502	15.0
57.03424	7.1
57.07070	2.0
59.05046	1.5
60.31866	1.8
65.03923	2.9
67.05501	42.6
68.54116	1.8
69.07067	15.9
71.04980	2.4
71.14733	4.1
79.05486	29.4
79.79453	1.9
81.07051	48.4
83.04963	2.4
83.08603	9.1
85.06516	2.1
91.05464	25.6
93.07038	35.2
95.04984	2.7
95.08602	34.6
97.06546	3.5
97.10178	3.1
99.08086	2.2
105.07027	30.4
105.07691	2.9
107.08583	20.9
109.06555	2.3
109.10153	13.6
117.07045	11.3
119.08562	28.3
121.10126	16.6
121.37942	1.5
123.08081	1.7
123.11734	4.7
129.06992	9.3
131.08549	23.7
133.10124	24.7
135.11678	12.7
137.05966	5.8
137.13182	2.3
141.06985	2.8
143.08545	12.8
145.10109	22.0
147.11678	19.1
149.13254	6.9
151.14893	2.7
155.08545	5.3
157.10135	11.5
159.11674	18.2
161.13251	9.7
163.14810	4.1
168.32903	1.7
169.10135	5.6
171.11662	13.6
173.13272	12.2
175.14836	6.6
181.10194	2.4
183.11716	4.0
185.13223	10.0
187.14842	7.8
195.11705	1.9
197.13316	5.2
199.14865	6.0
201.16316	2.8
211.14804	3.9
213.16432	3.7
215.18008	2.4
227.18097	2.6
241.19539	10.9
243.21085	2.5
257.19083	3.6
259.20584	14.6
261.22095	2.7
279.21210	1.8
285.22186	2.2
299.23923	2.5
315.22858	2.0
331.22748	1.7
333.24161	9.8
335.25751	16.9
501.35709	2.9
519.42041	5.9
537.43036	3.3
541.38538	2.4
593.45337	9.1
611.46625	100.0
612.46973	2.8
628.89575	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.3634
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	4.9
55.01859	2.8
55.05502	14.5
57.07056	8.6
65.03927	3.6
67.05503	20.4
69.03427	9.6
69.07066	47.7
69.31664	18.2
69.32082	11.8
70.06586	34.6
71.04985	3.3
71.08592	3.9
72.08158	6.6
79.05502	14.7
81.06591	5.8
81.07050	100.0
81.07526	6.1
83.05017	4.5
83.08611	18.6
84.04494	5.3
84.08126	7.0
85.02898	9.1
85.06535	23.6
86.09696	15.4
86.26285	3.2
86.96982	2.9
91.05469	11.8
93.07037	32.7
95.04964	4.8
95.08599	66.8
97.06522	5.8
97.10162	11.1
98.20795	5.6
99.08087	20.6
105.07040	15.5
107.04965	4.2
107.08594	35.1
109.02859	3.0
109.06504	4.8
109.10143	59.5
111.08083	25.8
111.11713	9.4
113.09632	6.6
119.08595	8.9
120.08068	7.9
121.06512	5.1
121.10130	26.6
123.04461	3.5
123.11703	41.6
125.09634	6.6
127.03898	5.7
129.10220	6.0
131.04897	4.3
133.10165	4.5
135.11674	19.4
136.07584	5.1
137.05995	4.6
137.09550	3.5
137.13235	19.7
139.11139	24.4
145.06494	4.1
147.11646	4.9
149.13228	26.1
151.07481	5.1
151.14828	4.6
153.12733	8.3
157.06422	3.4
161.09657	3.9
161.13280	4.1
163.14799	15.6
167.07047	28.6
167.14313	6.4
177.16356	13.1
179.07028	4.3
179.17870	3.4
181.04935	12.0
191.07109	3.8
191.17915	7.7
195.17552	3.4
196.09724	3.1
197.13054	5.8
203.18065	4.7
205.08554	4.2
205.19542	4.1
209.18864	4.4
211.14410	3.5
217.19501	4.6
219.06520	3.1
273.25787	7.7
279.26791	17.0
291.26773	53.1
303.05008	6.0
309.27863	85.2
327.28830	21.0
345.29883	7.4
611.19861	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	611.3631
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	6.4
55.01862	6.5
55.05502	11.3
56.05027	7.5
57.07073	8.3
59.15391	5.1
63.95717	7.1
67.05497	23.6
67.35901	5.1
69.03419	6.9
69.07063	39.8
69.21208	26.8
69.21632	40.7
70.06573	24.2
71.04976	7.7
79.05492	18.4
81.07050	100.0
83.08606	13.5
84.08120	22.8
85.02885	8.2
85.06510	23.8
86.09700	19.4
87.00816	8.5
88.70362	6.2
91.05456	11.1
93.07046	36.4
95.04938	7.7
95.08607	74.0
96.59532	6.0
97.06510	13.5
97.10168	10.9
102.05534	6.9
103.05465	6.1
104.05322	17.5
105.07037	10.1
107.08578	36.9
109.02848	7.4
109.10162	56.6
111.08063	22.5
111.11650	7.1
120.08089	22.9
121.10146	33.9
123.11678	55.5
125.06056	7.2
127.03925	6.8
129.10220	20.0
133.10132	8.5
135.11699	14.7
137.13235	27.2
139.11191	7.8
149.13232	27.3
151.14792	7.9
153.12781	9.0
161.13165	10.4
163.14792	9.4
167.06950	13.1
167.32896	5.3
174.05844	6.0
177.16444	9.4
181.04990	17.2
217.19502	19.2
235.20769	14.3
270.05301	12.7
271.05765	8.3
271.22781	8.1
273.25726	15.4
279.26773	9.4
285.07532	22.9
286.07928	13.8
287.08124	13.4
291.26782	31.7
309.27820	22.3
327.28787	17.6
486.37796	6.9
611.82660	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	611.3636
Annotation	Unknow
Peak:m/z	Relative Intensity
53.98615	3.7
55.05493	12.3
56.23081	4.3
65.05154	4.8
67.05493	18.3
69.03413	5.8
69.07059	51.5
70.06586	27.2
70.96255	3.9
71.04958	8.6
71.08593	5.1
71.52742	5.7
72.08171	4.6
72.81179	3.5
74.11165	3.8
79.05476	10.1
79.64030	4.7
81.07043	36.6
83.08607	6.0
85.02931	9.9
85.06548	6.8
86.09698	6.2
87.00790	5.9
93.07039	13.5
95.04956	6.9
95.08599	42.9
96.98066	4.8
97.02863	7.0
97.06509	29.9
105.07042	5.4
107.08591	16.6
109.10154	39.7
111.08071	14.6
111.11722	9.8
115.07572	10.2
117.07005	6.8
119.08557	5.8
120.08106	7.0
121.10119	15.1
123.11672	26.7
127.03871	7.8
131.08533	4.7
135.11646	10.7
137.05972	6.1
149.13206	26.5
151.03925	5.2
161.05830	5.2
167.07050	14.3
171.11711	5.2
179.06956	4.9
181.04791	9.7
191.07120	5.4
205.19571	14.5
223.20528	100.0
237.11060	4.3
249.70078	4.8
267.68420	4.2
291.26489	5.4
309.27734	11.4
465.54556	4.9
487.01886	4.7
611.21411	8.8
611.30701	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	611.1598
Annotation	Rutine
Peak:m/z	Relative Intensity
50.48660	0.2
50.59377	0.3
53.03915	0.3
55.05495	0.5
56.26538	0.2
57.03434	1.8
61.02905	0.7
69.03429	1.3
70.97535	0.6
71.04985	12.1
73.02882	0.3
75.04456	0.5
78.46480	0.3
79.21548	0.2
81.03394	0.5
83.04965	0.7
85.02894	16.0
87.04430	0.3
95.04932	0.3
97.02887	1.3
99.04395	0.3
109.02895	0.8
111.00782	0.9
111.04404	0.4
113.10808	0.2
121.02843	0.8
127.03904	0.9
129.05446	2.9
137.02319	2.4
139.17685	0.2
141.55998	0.2
145.04927	0.6
147.06468	1.0
149.39688	0.3
153.01833	2.8
163.03862	0.6
165.01797	1.3
166.02728	0.3
168.19485	0.3
183.02885	0.9
183.04425	0.4
201.05461	1.1
229.04936	2.8
247.06029	0.6
257.04459	2.2
274.04630	0.4
285.03906	1.2
286.10864	0.3
287.05527	0.8
303.04947	100.0
304.05289	2.8
309.99402	0.3
363.14630	0.3
435.59024	0.3
461.42847	0.3
465.10162	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.1601
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.3
55.01871	0.4
57.03442	1.0
61.02908	0.8
63.51654	0.2
68.99782	0.5
69.03419	2.5
70.06579	0.4
71.04395	0.5
71.04982	0.4
73.02898	0.3
81.03420	1.1
85.02896	8.8
87.04444	0.3
91.03904	0.5
97.02881	2.6
97.95548	0.2
99.04449	0.4
105.03391	0.3
109.02857	0.6
111.00784	0.6
121.02862	1.7
127.03910	2.1
133.02821	0.3
137.02328	0.6
145.04950	1.7
147.04422	0.5
153.01819	2.6
165.01810	1.9
171.04315	0.3
183.02869	0.7
213.05434	0.9
231.06494	0.6
241.04930	0.8
245.04420	0.2
248.50983	0.2
258.05283	1.0
259.05975	0.3
269.04486	0.4
287.05469	100.0
288.05765	2.7
303.04959	2.1
329.06735	0.3
449.10757	12.3
450.10986	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.3478
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	2.1
55.05494	5.7
57.03421	1.3
67.05507	8.3
69.03416	4.6
69.07067	9.3
70.06593	7.9
70.17538	4.8
71.04961	3.0
72.08164	2.2
79.05490	6.6
81.03421	3.6
81.07053	27.3
83.08611	3.5
84.04504	1.5
84.08136	1.5
85.02908	8.6
85.06544	2.1
86.09694	2.3
87.00816	1.7
91.05479	5.5
93.07034	13.5
95.04945	2.5
95.08604	20.9
97.02879	2.4
97.06522	3.1
97.10184	3.0
99.04455	1.4
99.08073	3.1
100.22768	1.3
103.05431	2.5
105.07030	11.9
107.08600	10.7
109.02881	1.9
109.06575	1.5
109.10135	15.5
110.07130	2.3
111.11710	1.8
116.54996	1.2
117.06929	1.2
119.08569	8.5
120.08149	1.9
121.10146	7.6
123.08046	1.9
123.11723	7.7
127.03934	2.9
127.13422	1.2
129.10173	1.7
131.04924	4.2
133.10139	5.9
135.11673	7.2
137.05974	1.6
137.09587	4.4
137.13239	4.0
139.11124	3.6
145.04977	1.4
145.10101	2.6
147.11644	6.3
149.13246	4.4
151.14856	1.4
153.01767	7.2
155.10638	2.5
159.11697	3.4
161.13268	5.7
163.14847	3.1
165.12741	2.6
167.07010	3.2
169.01318	4.7
173.13210	1.3
175.14806	3.0
177.16400	1.5
182.02095	32.5
185.00793	3.1
189.16438	2.6
191.07033	1.6
191.18033	1.9
197.04439	100.0
198.04744	3.0
200.03149	2.6
201.16484	1.3
215.17932	4.0
251.20346	1.6
270.05197	13.8
271.24152	4.2
285.07562	35.9
286.04886	1.4
286.08157	3.2
289.25302	7.8
301.10672	98.8
302.10931	7.2
307.26224	7.3
317.06613	1.9
325.27365	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	609.3473
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05492	12.5
57.07072	16.4
67.05501	38.1
68.20353	3.0
69.03430	19.0
69.06739	3.2
69.07062	38.1
70.06570	10.8
71.04989	18.0
71.06037	8.5
72.08140	3.3
79.05460	8.1
81.03371	5.1
81.07046	43.2
83.04494	6.2
83.04972	100.0
83.08587	10.7
84.08148	4.0
85.02885	12.8
85.06519	9.9
86.09682	7.6
87.00807	4.5
91.05430	6.5
93.07042	25.9
95.04961	51.5
95.08597	39.3
97.06523	4.3
97.10110	4.6
99.04467	4.1
105.01834	6.6
105.07010	13.6
107.08562	16.6
109.06488	8.9
109.10159	34.9
111.08064	4.3
111.11676	4.6
113.05243	5.8
113.05994	70.2
119.04950	3.2
119.08540	8.1
120.08107	3.4
121.10100	14.6
123.11727	18.5
125.13246	3.7
127.03882	6.8
131.08539	5.5
133.10139	6.8
135.11688	12.4
137.13263	5.1
145.10068	5.8
147.11719	4.6
149.13271	19.7
151.11024	4.1
163.11186	4.6
163.14743	5.6
167.07010	7.8
177.16272	3.5
181.05022	3.9
181.12228	4.0
191.07004	4.3
197.81862	3.6
205.19473	10.0
207.06517	5.1
223.20557	52.1
271.24060	3.7
274.09338	3.0
289.25204	9.2
297.68939	3.1
301.06992	6.6
307.26288	17.6
325.27295	5.7
343.28363	8.9
346.06595	4.7
361.09235	16.6
410.59378	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	611.1604
Annotation	Cyanin
Peak:m/z	Relative Intensity
53.03929	0.2
55.01878	0.2
57.03421	0.6
61.02924	3.8
68.99478	0.1
68.99802	0.3
69.03426	1.4
69.17503	1.7
70.06596	1.2
71.01328	0.2
71.04977	1.3
72.08147	0.3
73.02912	1.1
81.03427	0.7
83.01294	0.2
84.04488	0.2
85.02899	8.3
86.09696	0.3
91.03413	0.2
91.03947	2.8
91.05445	0.2
93.07049	0.2
97.02290	0.2
97.02885	2.9
99.04443	0.4
105.03342	0.3
107.04935	0.3
109.02866	0.7
111.00793	0.4
111.04494	0.1
115.03886	0.2
115.20610	0.1
120.08092	0.3
121.02851	2.0
127.03903	1.7
129.05479	0.3
129.07002	0.1
129.10272	0.2
131.05016	0.1
133.02818	0.3
136.07568	0.2
137.02310	0.6
145.04942	1.4
145.06419	0.2
147.04349	0.4
149.09595	0.2
151.03882	0.2
153.01811	3.1
157.06396	0.2
161.05942	0.1
163.05992	0.4
165.01837	1.8
171.04384	0.2
171.07658	0.1
172.44643	0.1
174.49014	0.1
177.05447	0.3
183.02855	0.8
185.05936	0.4
213.05377	1.2
216.04280	0.1
229.04967	0.3
231.06552	0.7
241.04892	0.8
257.04453	0.2
258.05194	0.8
259.05951	0.4
265.14978	0.1
285.03952	0.2
287.05478	100.0
288.05780	2.2
299.05579	0.2
303.04959	5.8
304.04977	0.2
317.06564	0.3
329.06555	0.6
339.36624	0.1
353.06812	0.2
449.10785	16.1
450.11273	0.5
465.10138	0.7
479.86084	0.1
485.14923	0.1
605.80353	0.2
611.28888	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	609.2175
Annotation	Denchryside A
Peak:m/z	Relative Intensity
55.05510	0.9
57.03431	0.6
67.05489	1.6
68.99786	0.6
69.03425	1.0
69.07044	2.0
70.06587	3.1
71.52862	0.8
72.08150	0.6
74.65660	0.4
79.05486	1.1
81.07049	3.8
83.08620	0.5
84.04486	0.9
84.08107	0.7
85.02898	1.6
86.09696	1.7
91.05473	1.9
93.07030	2.2
95.04944	0.9
95.08606	3.7
96.05378	0.5
96.39421	0.5
97.10165	0.5
99.08085	0.9
103.05457	1.2
105.07020	1.3
107.08582	1.7
109.02853	0.7
109.10142	2.4
119.08565	1.0
120.08118	0.5
121.06503	0.7
121.10108	1.8
123.11679	1.2
124.70518	0.5
127.03910	0.6
129.10231	1.1
131.04903	3.6
133.10150	0.7
135.11674	0.7
137.05922	0.8
137.13177	0.6
139.11160	1.2
145.10071	0.6
147.11674	0.6
149.13235	0.6
153.01816	7.5
154.02559	1.0
163.07600	0.6
166.99800	0.7
167.06995	2.2
169.01309	4.4
181.04990	0.7
182.02084	24.4
185.00784	2.9
191.06984	1.0
197.04442	92.7
198.04773	1.2
200.03139	2.0
202.10699	2.3
203.10944	0.6
209.04419	1.4
230.54173	0.5
246.07626	0.5
270.05280	0.8
271.05820	0.8
271.24237	0.8
282.54614	0.5
285.07520	2.2
286.08340	2.8
289.25296	0.9
301.10675	100.0
302.11023	1.4
307.26297	1.3
433.31860	0.6
577.20276	1.3
599.92627	0.5
609.22797	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.1809
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03419	0.3
58.27887	0.2
66.30403	0.2
67.05492	0.5
69.03423	0.2
69.07050	0.4
69.49296	1.6
70.06600	1.0
71.04996	1.4
72.08146	0.4
72.21468	0.2
74.06061	0.4
79.05479	0.2
81.07044	0.6
83.08568	0.3
84.08109	0.2
85.02906	2.0
86.09705	1.8
87.10028	0.3
91.05482	0.4
93.07036	0.4
95.08598	0.8
97.02852	0.2
98.98427	0.2
102.05507	0.2
105.07020	0.5
107.08575	0.5
109.06474	0.2
109.10134	0.3
119.08611	0.2
120.08072	0.3
123.00784	0.5
127.03924	0.4
129.05489	0.3
133.06474	1.2
133.10176	0.4
145.58369	0.2
147.11726	0.2
149.13321	0.3
161.05957	0.3
166.26068	0.2
167.07114	0.4
169.01254	0.4
189.08801	0.2
211.05977	0.2
217.08322	0.3
258.05209	10.7
259.05652	0.4
283.05948	0.6
286.04715	9.1
287.05060	0.3
295.80936	0.2
301.07047	100.0
302.07358	4.1
302.73868	0.2
308.77695	0.3
330.16592	0.6
331.17020	0.3
463.12311	4.6
464.12878	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.1807
Annotation	Hispidulin 7-neohesperidoside
Peak:m/z	Relative Intensity
50.91280	0.2
55.01866	0.3
55.05502	0.6
56.24126	0.3
57.03431	0.3
57.07076	0.3
65.03938	0.3
67.05495	1.0
69.03411	0.9
69.07066	1.7
69.32429	0.2
69.50578	2.0
70.06582	1.5
71.04980	1.2
72.08160	0.3
79.05486	0.8
81.03418	0.5
81.07046	3.2
83.04989	0.3
84.04520	0.5
84.08136	0.9
85.02877	1.9
85.06532	1.4
86.09701	1.1
91.05495	0.4
93.07032	1.6
95.04948	0.4
95.08601	2.4
97.02878	0.5
97.06512	0.4
105.01885	0.3
105.06985	1.2
107.08581	2.0
109.02928	0.4
109.10128	1.6
111.08064	2.5
115.43419	0.3
119.04961	0.4
119.08562	0.5
121.02866	1.1
121.10116	1.1
122.06055	0.6
123.11707	3.0
125.09644	0.5
127.03860	0.4
127.13572	0.3
129.05482	0.5
129.10172	0.3
133.10091	0.5
135.11707	0.6
137.13254	0.5
139.11197	0.5
140.07065	0.3
147.11674	0.7
148.07542	0.3
149.13254	0.8
151.07472	0.2
151.11151	0.2
153.12802	0.4
163.14748	0.3
167.06996	0.6
168.00526	2.9
169.12219	0.4
173.13336	0.3
181.04860	0.3
186.01559	4.3
189.16365	0.3
191.18085	0.4
210.32430	0.2
215.17905	0.3
224.78326	0.3
255.06262	0.3
258.05228	1.0
270.05246	0.4
277.25278	0.3
285.04080	0.5
285.07190	0.4
286.04684	58.4
287.04916	2.4
287.13895	0.3
288.14212	0.4
289.25241	0.9
301.07025	100.0
302.07352	2.5
307.26205	2.2
325.27219	0.3
441.12717	0.2
463.06186	0.5
463.12329	6.5
603.30377	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.2548
Annotation	Trigonosin B
Peak:m/z	Relative Intensity
65.42277	0.4
69.83123	1.4
69.83515	1.0
82.09420	0.4
95.66050	0.5
226.94217	0.5
375.16052	0.7
388.16904	0.9
389.17590	2.1
390.18597	0.9
391.19281	0.6
402.18463	1.4
403.14740	0.8
403.19281	3.4
404.19818	1.7
405.20770	2.9
413.17804	0.6
416.16074	0.7
417.16187	4.2
417.21204	2.1
418.17108	0.8
418.21988	0.9
419.22598	5.1
420.22739	0.8
430.18076	0.8
431.18286	7.2
431.23718	0.5
432.19092	3.2
433.19846	2.9
445.20041	4.5
446.21033	8.9
447.21710	7.8
448.23114	0.6
459.17395	1.0
459.22797	0.9
460.18320	1.0
461.19962	1.8
462.24573	0.6
463.21210	0.5
474.20496	5.2
475.21091	4.8
476.21451	0.5
477.23096	0.8
478.23810	0.7
487.21091	1.6
488.22324	0.6
490.23663	0.9
491.19839	2.6
501.22971	0.9
503.22537	0.5
505.21869	0.9
506.23035	0.9
518.23279	0.5
519.24091	15.3
520.24170	1.2
535.22040	0.5
547.14758	0.8
547.23309	11.9
548.23505	1.3
551.26929	0.5
563.23035	0.5
579.25867	5.9
607.25470	100.0
608.25586	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	608.2837
Annotation	Unknow
Peak:m/z	Relative Intensity
60.87568	0.4
63.10512	0.4
71.53049	0.6
80.65754	0.4
81.07044	0.5
86.09713	0.5
86.30263	0.5
97.02883	3.9
104.10758	0.9
119.03511	0.6
122.58266	0.4
136.06175	100.0
137.04553	0.8
168.48195	0.4
233.24719	0.4
285.24048	0.5
333.19067	2.4
334.19333	3.4
348.07004	30.5
349.06946	0.6
356.20755	0.5
357.21317	0.8
396.96625	0.5
608.38599	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.1809
Annotation	Diosmin 
Peak:m/z	Relative Intensity
57.03419	0.3
58.27887	0.2
66.30403	0.2
67.05492	0.5
69.03423	0.2
69.07050	0.4
69.49296	1.6
70.06600	1.0
71.04996	1.4
72.08146	0.4
72.21468	0.2
74.06061	0.4
79.05479	0.2
81.07044	0.6
83.08568	0.3
84.08109	0.2
85.02906	2.0
86.09705	1.8
87.10028	0.3
91.05482	0.4
93.07036	0.4
95.08598	0.8
97.02852	0.2
98.98427	0.2
102.05507	0.2
105.07020	0.5
107.08575	0.5
109.06474	0.2
109.10134	0.3
119.08611	0.2
120.08072	0.3
123.00784	0.5
127.03924	0.4
129.05489	0.3
133.06474	1.2
133.10176	0.4
145.58369	0.2
147.11726	0.2
149.13321	0.3
161.05957	0.3
166.26068	0.2
167.07114	0.4
169.01254	0.4
189.08801	0.2
211.05977	0.2
217.08322	0.3
258.05209	10.7
259.05652	0.4
283.05948	0.6
286.04715	9.1
287.05060	0.3
295.80936	0.2
301.07047	100.0
302.07358	4.1
302.73868	0.2
308.77695	0.3
330.16592	0.6
331.17020	0.3
463.12311	4.6
464.12878	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.2378
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	3.7
53.75775	1.1
55.01855	3.1
55.05502	2.1
57.03434	3.4
61.02927	3.4
67.05498	3.0
69.03426	13.9
69.07066	3.5
70.06579	8.7
71.05003	2.0
71.53008	1.6
72.08150	3.7
73.02913	1.2
78.04674	1.3
79.05486	8.9
81.03408	4.7
81.07041	6.1
83.04990	2.0
84.08126	1.9
85.02895	20.7
85.06592	1.6
86.09696	6.6
87.04446	1.6
91.05476	7.1
93.07047	4.3
94.88937	1.3
95.04960	5.2
95.08602	5.9
97.02887	7.4
97.06532	1.8
99.04453	1.6
101.07101	1.1
103.05461	5.7
105.07008	12.9
107.04933	10.4
107.08567	3.7
109.02875	4.2
109.06502	1.6
109.10172	2.9
111.04461	1.2
115.05450	7.8
117.06990	3.6
118.04169	1.7
119.04932	2.0
119.08577	5.0
120.08076	3.0
121.10126	2.3
123.04404	7.8
123.11686	2.1
124.05220	5.3
125.05974	2.7
127.03913	5.6
128.06226	5.5
129.07001	7.4
129.10201	2.5
131.04948	7.1
131.08528	2.3
132.05693	6.2
133.06461	8.4
133.10135	1.7
135.11667	2.9
136.49138	1.3
137.05927	2.8
139.11177	1.5
140.04625	1.5
140.07103	2.0
141.07002	2.2
143.04855	1.3
143.11749	1.6
144.05670	1.3
145.04953	2.3
145.06483	2.8
145.10170	1.4
147.04361	1.6
147.08009	6.0
147.11784	1.4
149.13220	1.3
151.03906	1.5
152.04681	2.2
153.05495	4.3
155.05002	1.6
155.07039	4.3
156.05727	1.6
159.08031	8.1
160.05208	3.4
161.05939	16.3
161.09619	1.3
163.04037	1.4
165.05539	1.4
167.07022	100.0
169.06471	2.3
171.08026	3.1
172.05225	2.5
173.05998	1.5
175.07529	46.7
176.04771	1.9
177.05505	3.8
177.09149	1.2
178.06300	1.5
179.07007	2.9
184.05287	1.6
187.07518	23.8
189.07222	1.9
189.09137	4.2
191.06989	13.1
191.08388	1.7
193.08566	14.4
193.10133	1.9
199.07521	18.4
201.09116	4.4
202.07835	3.7
203.08571	5.8
205.06474	1.9
206.07243	3.1
207.08118	2.6
209.08052	5.3
215.08612	2.2
216.09500	1.2
217.08557	1.2
218.07295	4.1
219.08020	5.2
220.08856	1.9
221.09618	5.1
221.62439	1.5
231.08084	4.7
232.08839	2.9
233.09695	4.5
234.06767	3.1
235.07547	3.5
241.10733	4.1
241.29327	1.2
245.05878	1.6
246.06815	2.3
247.07520	2.0
248.08308	3.1
249.06917	1.6
249.09132	9.2
250.09874	1.7
251.07132	2.7
257.06094	1.3
259.07523	2.4
260.08310	4.0
261.09167	6.5
262.06189	1.8
263.07056	6.1
263.10400	1.2
264.07660	2.0
265.08569	3.1
266.09137	1.8
267.12277	7.1
274.06323	2.7
275.06958	2.4
276.07639	2.6
277.08643	10.0
278.09366	3.6
279.06729	1.5
279.10028	2.6
281.09006	1.5
281.11649	7.8
281.17969	1.4
283.09680	2.6
289.08527	8.3
290.09338	2.2
291.06610	2.2
291.10156	3.3
293.08234	2.7
293.11737	4.3
294.08939	3.3
303.13354	2.3
305.08109	3.4
305.24722	1.6
306.08835	7.1
307.09610	4.8
308.10379	1.9
309.11194	14.7
310.11862	2.0
315.13388	4.5
320.10587	2.1
321.11179	21.3
323.05893	1.5
323.09192	4.8
323.12656	2.2
325.10559	2.9
325.14313	1.6
326.11420	19.7
337.10672	5.7
338.11462	7.1
339.12250	4.6
340.12970	20.0
341.13782	46.8
351.12231	2.3
352.13007	18.7
353.13770	24.0
355.15292	2.5
415.17535	7.9
427.17642	7.0
490.95355	1.4
607.26031	1.9
623.22876	1.3
632.20868	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.2017
Annotation	Derriscandenoside C
Peak:m/z	Relative Intensity
53.03974	0.2
55.05508	0.2
65.23038	0.2
67.05479	0.3
67.41669	0.2
68.99825	0.3
69.03419	0.4
69.07053	0.3
69.31367	1.5
70.06577	0.7
71.04973	0.2
72.08120	0.2
79.05467	0.3
81.07041	0.6
84.08139	0.4
85.02886	0.4
86.09702	0.3
91.26411	0.2
93.07022	0.5
95.04949	0.4
95.08623	0.5
99.04450	0.2
102.53011	0.2
103.05445	0.2
105.03378	1.9
105.07010	0.3
107.08576	0.4
108.02065	0.4
109.02881	0.2
109.10139	0.4
118.03119	0.2
119.08505	0.2
120.08092	0.2
121.10134	0.2
121.80769	0.2
122.02734	0.2
125.06017	0.2
133.10074	0.2
139.00215	0.3
147.04318	0.3
148.07547	0.2
149.13191	0.2
153.06984	0.3
153.18340	0.2
154.02568	0.3
154.07767	0.2
155.03293	0.2
158.34727	0.2
159.11674	0.2
167.07021	0.5
171.67447	0.2
177.25569	0.2
181.06467	0.3
182.07240	0.3
191.06963	0.2
203.17885	0.2
210.04951	0.3
210.06747	2.6
226.06268	0.2
237.05490	0.4
238.06226	7.1
239.06943	0.6
241.04942	7.9
253.04959	0.4
255.06493	1.0
259.10709	0.4
265.04916	4.3
265.07712	0.3
266.05713	37.2
267.06195	1.2
269.04422	13.9
270.04922	0.5
283.06097	0.5
284.06754	10.2
299.09097	100.0
300.09384	2.2
301.11963	0.3
305.24692	0.2
319.12842	0.6
607.21344	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.2356
Annotation	Woorenoside II
Peak:m/z	Relative Intensity
55.77746	0.4
65.03940	0.6
67.05473	0.5
69.03410	0.6
70.06586	3.3
71.52474	0.5
71.52825	0.5
72.08135	0.8
81.07040	1.4
83.04986	0.7
84.04473	0.9
84.08144	1.4
85.02920	1.1
86.07860	0.4
86.09702	1.7
91.05466	1.7
93.07014	0.8
95.04943	0.5
95.91755	0.5
102.84195	0.5
109.06500	0.7
109.59184	0.5
111.04259	1.1
119.08586	0.6
120.08119	1.4
122.06018	0.5
127.03899	0.8
133.10130	0.5
136.07581	1.1
145.18001	0.5
148.07529	0.9
167.07021	0.7
177.05472	0.9
178.06088	0.5
189.05228	19.8
190.05943	2.8
201.05510	0.8
237.02853	0.6
243.11098	0.6
265.13354	1.4
301.11749	0.5
305.24680	0.5
309.12476	1.0
310.13385	0.6
311.13974	0.9
321.14563	0.6
420.86298	0.5
429.15094	1.7
444.17377	2.4
445.18399	12.7
450.20200	1.5
452.21628	0.7
541.18134	0.7
607.23499	100.0
608.24078	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.1558
Annotation	Unknow
Peak:m/z	Relative Intensity
52.72234	1.3
56.75919	1.4
56.96550	1.9
63.02868	1.1
63.96827	1.7
67.39143	1.6
69.03411	2.3
69.48123	7.5
79.67215	1.3
81.03424	2.6
82.99894	3.8
85.02887	6.2
90.96069	1.2
91.05467	4.0
94.67044	1.4
94.99867	1.9
97.02888	4.7
98.97570	4.1
101.00864	17.1
105.06985	1.6
109.02874	2.7
110.97623	1.7
113.00876	3.3
119.01910	57.5
119.04922	4.2
127.02363	2.5
127.03880	1.7
128.98587	2.2
131.01894	24.7
133.03453	2.3
133.06500	2.4
135.04222	1.5
137.02930	7.9
137.05931	1.3
137.58250	1.3
138.64774	1.3
139.02391	2.1
143.01883	33.0
145.03477	19.6
145.04616	1.8
145.04999	1.3
146.99661	1.7
147.01346	2.7
149.02907	5.0
153.03943	1.5
155.01863	20.6
157.03447	13.6
158.99643	2.8
159.04933	1.4
161.02945	52.9
162.03264	1.3
163.04454	3.9
167.01830	10.5
169.03423	4.5
171.04993	3.0
173.02943	33.8
174.03029	1.9
175.04529	2.7
177.00708	1.9
177.05582	1.4
179.01910	4.0
180.70650	1.6
181.03360	1.4
183.05185	2.2
184.04640	2.0
185.02931	53.2
186.03220	1.6
187.04532	5.7
189.00748	3.2
191.03969	1.7
191.05539	2.5
195.05034	6.0
197.02928	17.3
199.04591	2.8
201.00694	2.3
201.04057	2.2
203.04001	16.2
205.03423	1.4
207.05052	2.9
209.03020	2.0
209.06577	20.2
215.03932	12.0
217.05396	1.7
218.04193	1.7
219.01828	2.6
219.05009	24.0
220.05818	6.5
221.05095	4.0
225.06125	1.7
227.03923	9.7
227.07561	3.0
231.05057	2.2
233.06569	61.3
236.05141	2.4
237.02637	3.0
237.06050	72.5
238.06190	2.7
239.03877	2.0
245.04948	100.0
246.05296	4.9
247.04927	1.6
247.08241	1.5
249.06062	5.9
251.04105	1.5
251.05000	2.0
251.07646	26.3
253.05511	2.5
255.07103	36.3
257.05060	5.3
261.03006	2.1
261.06000	24.0
263.03781	2.5
263.05707	10.0
264.07770	2.7
265.05566	1.9
273.05923	7.3
275.05682	9.7
279.07095	82.1
280.07303	4.7
281.04877	13.2
287.07672	2.3
289.08951	1.6
291.07022	12.0
293.07114	4.3
295.06461	2.6
299.06082	5.7
302.08795	3.1
303.07083	13.6
305.07565	9.1
315.07281	6.5
317.04849	1.8
321.08102	6.2
323.06055	71.4
324.06268	2.0
333.08261	3.2
335.05899	26.6
337.93405	1.7
337.99051	1.5
341.07166	47.0
342.07501	2.0
353.07117	24.6
359.08179	9.7
363.09186	35.4
364.08823	6.2
365.09564	12.5
371.08145	3.3
377.07010	1.7
381.10455	10.2
383.08139	17.9
389.06589	2.3
407.08112	16.9
425.09262	28.2
443.10434	20.0
471.13181	1.9
485.11139	2.6
605.15564	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	604.4565
Annotation	Unknow
Peak:m/z	Relative Intensity
53.43628	2.7
55.01867	8.2
55.05508	25.8
57.34864	2.9
67.05500	31.3
69.03429	4.0
69.07053	8.2
70.06279	5.0
70.06708	9.6
71.05011	3.4
76.42399	2.9
79.05483	30.1
81.07047	48.7
83.04988	10.3
83.08616	20.3
91.05479	18.1
93.07030	23.7
95.04942	18.8
95.08620	14.3
97.06513	5.1
97.10170	21.3
105.07016	18.2
107.04942	6.9
107.08575	13.5
109.06484	8.0
109.10160	9.9
111.04433	8.3
111.08072	4.8
117.06989	8.9
119.08581	21.4
121.06490	8.6
121.10134	11.7
123.08049	6.1
125.09634	15.1
129.06992	6.3
131.08557	13.7
133.10129	5.6
135.08054	7.8
135.11758	5.2
137.09604	3.4
143.08606	5.0
145.10088	15.9
147.08057	13.3
149.09576	5.7
153.09055	6.8
153.12726	3.6
159.11655	6.0
161.09595	3.5
163.11160	8.1
165.09090	4.9
169.95377	3.1
171.10214	3.9
171.11684	4.5
181.12241	3.9
189.11249	16.7
191.10794	4.3
211.54343	3.1
215.57800	3.0
223.13353	6.9
227.12811	7.8
227.17809	3.3
245.19130	4.4
249.14951	3.5
255.17397	5.3
261.22076	4.8
270.50208	2.9
273.18570	29.2
290.84384	3.3
291.19528	100.0
302.22144	3.1
309.20679	7.8
431.31345	3.3
535.20575	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	604.3123
Annotation	Unknow
Peak:m/z	Relative Intensity
50.41047	0.2
53.03939	0.4
55.01863	1.5
56.05003	0.6
68.04671	0.4
68.05020	4.4
69.05807	2.1
69.07059	3.3
70.06586	2.0
70.94975	0.6
70.95288	0.3
71.86208	0.3
75.50300	0.3
84.04495	16.8
86.06038	0.5
86.09694	24.0
91.05463	2.6
91.32298	0.3
93.07025	3.8
95.04931	0.7
96.04478	3.0
103.05456	6.3
105.07026	4.3
106.06472	0.3
108.08090	0.8
112.50790	0.3
113.07085	0.4
114.05508	3.3
115.05433	0.5
117.06989	1.0
118.06492	0.5
120.08092	52.5
121.06489	33.9
121.08374	0.8
122.06823	0.3
122.09563	0.3
123.05563	0.4
123.09193	2.7
124.03938	6.6
125.07138	0.4
128.06194	2.4
129.06554	4.9
130.06424	0.3
131.04915	1.0
131.08525	0.8
132.08089	0.5
135.09119	0.5
137.07045	0.4
138.09143	1.1
141.05176	0.3
141.06985	0.5
143.08548	4.7
145.06516	0.4
151.05022	1.4
151.08641	11.9
152.08138	0.7
153.06740	1.5
155.04527	0.4
159.08035	11.8
163.08624	0.9
163.12265	2.1
169.09663	1.6
171.08028	24.1
172.08369	0.4
173.09584	2.2
176.10669	0.8
179.08133	37.5
180.07986	0.3
181.06094	1.1
181.13297	0.5
186.09195	0.3
188.08217	0.4
188.10690	5.1
188.14330	8.7
188.15930	0.6
189.06534	1.6
191.08171	1.5
198.09120	5.1
199.07629	0.4
202.08653	0.4
205.13342	1.1
206.09221	5.6
206.10982	0.2
207.07631	31.7
208.07977	0.3
215.11748	0.6
216.10147	2.5
220.14479	0.7
223.08893	0.3
224.10309	0.4
233.16460	4.6
240.13805	1.0
248.13965	0.4
255.11122	0.4
261.16006	1.7
271.14197	0.4
274.15479	9.8
275.15826	0.3
281.12762	0.5
285.15982	1.1
292.16562	1.4
299.13843	8.2
302.15030	0.5
308.13989	0.7
309.12286	6.4
309.94901	0.3
311.13980	0.5
316.16522	2.9
318.21771	0.9
320.15994	12.8
323.17517	0.3
326.15042	1.1
327.13348	28.9
328.13666	0.8
343.17590	2.5
344.16010	100.0
345.16336	2.3
352.19922	0.4
353.22348	0.5
354.14478	0.4
411.23822	1.7
412.22330	0.7
418.21121	2.2
421.22272	2.4
429.24991	2.1
445.22031	0.4
446.20645	2.4
449.21695	2.1
457.24487	2.9
473.21176	0.5
491.22845	33.4
492.23157	1.4
493.27771	0.4
531.29443	0.3
558.30621	1.0
559.29034	2.0
576.31757	15.8
577.31891	0.4
586.30157	14.6
587.30542	0.7
593.36615	0.4
604.31299	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	602.2971
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	2.1
55.05489	2.0
56.40245	1.3
58.58861	1.3
60.62335	1.1
67.05483	1.2
68.05011	2.7
69.07065	1.5
70.06584	4.4
71.52077	1.9
72.08138	1.9
80.05013	1.5
84.04483	5.3
84.08149	18.1
85.02905	2.7
86.09689	4.1
86.64706	1.2
91.05470	4.2
93.07024	3.4
94.43909	1.4
95.08570	2.0
96.04470	1.7
103.05460	6.2
105.07019	3.4
105.60946	1.3
107.06072	4.0
115.05448	1.7
117.06982	3.8
120.08099	98.6
121.06512	16.6
121.08393	1.6
121.10208	1.6
124.03945	45.9
131.08588	3.1
135.05556	1.6
136.07475	1.4
138.09097	8.0
145.06493	6.1
151.04990	6.3
151.08734	2.5
158.07272	6.4
159.08006	3.0
162.09030	1.9
163.08670	25.3
163.12331	4.0
167.07005	3.2
169.09926	1.9
175.08855	1.2
175.11156	1.3
179.08145	5.3
186.12701	1.5
187.11168	100.0
188.11473	2.2
189.06560	5.7
191.06438	2.3
191.08160	45.4
193.09848	1.4
204.07678	1.7
204.13835	26.5
205.08374	2.4
206.09158	3.6
207.07654	26.6
207.11113	1.9
221.16434	9.9
241.49521	1.3
272.14084	2.6
274.15485	8.6
285.15942	25.3
318.14490	1.4
351.20645	40.0
368.23392	7.1
396.22769	29.4
455.22726	4.9
491.26312	3.7
556.29437	1.6
558.30304	5.9
574.30103	4.0
584.28436	2.9
602.29669	27.4
603.29950	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	603.3005
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	5.9
55.01843	12.6
55.05499	24.0
61.38126	6.6
61.61844	5.7
67.05498	23.7
69.03423	31.6
69.07059	49.0
70.06585	53.1
71.52908	8.1
72.08147	22.5
73.02959	5.8
79.05475	20.8
81.03404	20.5
81.07052	73.1
81.61171	5.5
83.04961	30.3
83.08633	8.9
84.04508	14.5
84.08144	15.8
85.02895	22.7
85.06538	7.6
86.09691	45.2
91.05476	22.6
93.07041	33.9
95.04961	16.0
95.08605	53.5
97.02891	14.7
97.06527	41.2
99.04440	28.6
105.07024	49.5
107.08604	40.3
109.02913	8.9
109.06500	21.0
109.10133	43.6
110.07187	10.2
111.04422	15.9
111.08077	14.9
117.06982	9.0
119.08590	40.9
120.08086	23.8
121.06474	12.3
121.10139	39.8
123.04361	7.0
123.08073	9.3
123.11674	61.3
125.05949	29.0
125.09668	6.1
127.03935	6.7
129.06979	5.8
129.10269	7.5
131.08562	11.1
133.10107	51.0
135.08063	19.6
135.11703	19.8
137.05927	7.2
139.11183	53.3
141.09140	9.2
143.08612	10.6
145.04924	9.0
145.10124	13.5
147.08086	8.6
147.11674	46.8
149.05934	7.0
149.13194	7.5
151.11172	14.6
153.09087	12.0
153.12747	9.2
155.08250	7.6
157.10107	14.4
159.08090	7.7
159.11638	13.7
161.13232	8.3
165.12802	10.7
173.13182	10.4
175.11198	16.9
175.14833	7.5
185.13287	10.0
187.14850	10.6
189.05370	6.3
189.16393	10.2
193.12241	16.4
203.14313	7.9
203.17950	12.4
213.16188	6.2
221.18997	39.4
241.19702	6.0
245.15414	11.6
283.20612	9.9
291.23184	13.7
301.21622	46.1
319.22653	100.0
337.23544	30.7
354.33826	6.6
426.18524	6.9
490.17010	6.1
587.52313	6.7
603.20581	39.8
603.27374	9.7
603.29486	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	603.3005
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	5.9
55.01843	12.6
55.05499	24.0
61.38126	6.6
61.61844	5.7
67.05498	23.7
69.03423	31.6
69.07059	49.0
70.06585	53.1
71.52908	8.1
72.08147	22.5
73.02959	5.8
79.05475	20.8
81.03404	20.5
81.07052	73.1
81.61171	5.5
83.04961	30.3
83.08633	8.9
84.04508	14.5
84.08144	15.8
85.02895	22.7
85.06538	7.6
86.09691	45.2
91.05476	22.6
93.07041	33.9
95.04961	16.0
95.08605	53.5
97.02891	14.7
97.06527	41.2
99.04440	28.6
105.07024	49.5
107.08604	40.3
109.02913	8.9
109.06500	21.0
109.10133	43.6
110.07187	10.2
111.04422	15.9
111.08077	14.9
117.06982	9.0
119.08590	40.9
120.08086	23.8
121.06474	12.3
121.10139	39.8
123.04361	7.0
123.08073	9.3
123.11674	61.3
125.05949	29.0
125.09668	6.1
127.03935	6.7
129.06979	5.8
129.10269	7.5
131.08562	11.1
133.10107	51.0
135.08063	19.6
135.11703	19.8
137.05927	7.2
139.11183	53.3
141.09140	9.2
143.08612	10.6
145.04924	9.0
145.10124	13.5
147.08086	8.6
147.11674	46.8
149.05934	7.0
149.13194	7.5
151.11172	14.6
153.09087	12.0
153.12747	9.2
155.08250	7.6
157.10107	14.4
159.08090	7.7
159.11638	13.7
161.13232	8.3
165.12802	10.7
173.13182	10.4
175.11198	16.9
175.14833	7.5
185.13287	10.0
187.14850	10.6
189.05370	6.3
189.16393	10.2
193.12241	16.4
203.14313	7.9
203.17950	12.4
213.16188	6.2
221.18997	39.4
241.19702	6.0
245.15414	11.6
283.20612	9.9
291.23184	13.7
301.21622	46.1
319.22653	100.0
337.23544	30.7
354.33826	6.6
426.18524	6.9
490.17010	6.1
587.52313	6.7
603.20581	39.8
603.27374	9.7
603.29486	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	602.2956
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07071	5.7
58.06592	2.3
59.00370	0.5
65.03934	0.7
69.07084	0.6
69.80222	0.9
69.80636	1.8
70.06200	1.0
70.06590	19.6
71.08619	4.0
72.08134	0.7
72.68485	0.4
74.06041	0.7
86.09740	0.4
88.07625	22.5
88.55228	0.4
98.20836	0.9
102.09174	15.9
102.15231	0.6
131.04964	0.6
132.10249	0.6
139.03906	0.8
139.38596	0.4
146.11705	0.5
147.04361	1.0
149.02325	40.9
150.02695	0.5
156.17522	0.9
163.02150	0.4
175.03888	1.2
175.07568	0.4
177.05510	0.8
193.04951	48.1
194.05231	0.7
200.20084	53.2
201.20427	1.3
203.31404	0.5
219.06526	0.9
225.05469	0.6
237.07558	11.9
244.22672	2.2
269.04510	1.6
297.04053	2.2
313.07199	2.1
341.06546	11.0
359.07544	7.3
385.09137	19.0
429.11807	30.8
430.12286	0.6
475.77988	0.4
511.26633	0.4
540.26129	0.6
584.28461	1.5
602.29553	100.0
603.30066	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	602.2967
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	1.9
65.03911	0.8
68.05019	1.9
69.03438	0.8
69.05803	1.9
69.07058	6.9
70.06576	4.8
71.52538	0.6
71.53035	1.0
72.08142	0.8
79.05481	1.3
82.20939	0.6
82.84913	0.6
84.04494	9.8
84.08133	0.8
86.09697	100.0
87.09421	0.7
87.10017	0.7
91.05487	2.6
93.07011	3.4
95.04994	0.9
96.04497	0.9
96.73348	0.8
100.06022	0.7
100.11264	0.8
103.05457	5.8
106.06543	1.6
107.18053	0.7
115.05408	0.8
116.13566	0.6
119.04943	0.8
120.08091	95.1
121.08392	1.5
124.03953	5.0
129.06958	1.2
130.06534	1.8
131.07303	4.9
132.08102	1.0
134.06000	41.2
135.06789	5.4
136.07576	3.5
141.06979	1.8
143.07233	0.9
145.06406	0.7
146.05980	1.5
151.62015	0.7
153.06581	1.7
157.06390	0.8
163.08614	0.9
169.06464	2.5
174.09123	11.2
179.08118	3.0
181.09703	1.6
184.07509	1.1
186.09122	22.5
203.11763	1.7
206.09254	1.4
207.07643	11.2
213.10164	2.4
233.16457	13.1
236.10640	1.2
240.10251	1.2
261.15970	2.7
273.03876	1.5
274.15567	1.9
303.05035	1.5
314.14960	10.2
320.15991	5.5
324.13477	1.6
342.14444	52.4
343.14731	0.9
409.21991	2.6
410.20520	1.8
421.22226	0.9
427.23453	6.2
444.19098	3.6
455.22839	32.7
489.21631	4.4
529.27893	0.9
556.28650	0.8
566.83453	0.8
574.29730	2.8
602.28693	3.2
602.42615	1.3
604.13025	0.9
629.83313	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	602.1743
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02374	0.5
52.91489	0.2
53.03935	1.6
53.80754	0.2
55.01865	0.5
55.81535	0.2
57.03425	1.0
57.63501	0.2
61.02921	0.3
69.03419	0.5
70.06563	0.4
71.41622	0.3
73.02887	0.4
77.03931	0.8
79.05479	1.8
81.03410	0.5
84.08150	0.4
85.02898	1.3
86.09713	0.2
95.04962	3.3
97.02882	0.8
99.04443	0.4
105.03376	100.0
106.03709	0.8
109.02875	1.0
110.03673	0.4
111.04435	0.2
123.04411	3.9
127.03897	0.9
145.04948	0.2
157.44054	0.2
179.07001	24.8
180.07306	0.3
191.00063	0.3
197.08063	41.8
198.08452	0.5
270.48071	0.2
329.05505	0.2
393.76538	0.2
405.08542	0.6
423.09479	0.8
623.81866	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	602.2804
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	0.6
57.03424	0.3
67.05497	0.4
69.03426	0.9
69.92516	0.5
69.92908	0.9
70.06572	1.2
72.08143	0.7
73.02901	0.3
78.04701	1.9
79.05157	0.3
79.05494	3.4
81.03403	0.6
81.07051	0.8
84.04497	0.4
84.08115	0.5
85.02900	2.2
86.09684	1.1
91.05460	1.8
95.04968	1.1
97.02889	0.6
103.05460	3.4
104.09226	0.3
105.07027	4.5
105.33577	0.4
106.04147	1.4
107.04951	6.5
109.02843	0.5
109.06540	0.3
110.07169	0.3
115.05444	1.7
117.06987	1.1
119.04939	0.5
121.06477	1.7
122.03611	0.3
123.04414	4.6
123.08099	0.4
124.05199	3.0
125.05978	0.8
127.03854	0.5
128.06212	0.4
129.06955	0.8
129.10156	0.5
131.04921	6.3
131.08559	0.9
133.06487	5.3
134.03683	0.4
135.08029	1.3
136.07489	0.3
137.05972	3.3
139.07515	0.5
141.06963	0.8
144.05696	0.6
145.04855	0.3
145.06479	2.7
147.04385	1.4
147.08061	0.5
149.05965	0.6
151.03883	0.9
151.07532	4.0
152.04671	2.0
153.05386	0.4
157.06433	0.5
158.07243	1.0
159.08072	1.4
160.05203	0.3
161.05984	6.1
163.06142	0.4
163.07533	11.7
167.07025	100.0
168.07396	0.7
171.08047	0.4
172.05170	0.6
173.05975	1.3
173.09613	1.1
175.07486	2.0
177.05499	0.6
177.09138	2.2
179.07059	3.5
180.08693	0.5
181.08594	4.4
187.07538	2.6
189.09099	0.9
190.09543	0.5
191.07088	0.4
192.07838	0.6
193.08594	16.1
194.09055	0.4
201.09106	1.8
203.08659	0.4
205.08492	0.8
207.10159	1.1
217.08566	0.6
219.10170	2.3
221.11690	0.6
224.35478	0.3
231.08055	0.6
233.11737	3.3
235.11078	0.4
237.11208	2.5
249.11186	0.6
250.11336	0.5
251.12692	1.4
261.22882	0.3
263.10596	0.9
275.61523	0.3
291.10162	1.0
295.13300	0.5
305.07108	0.3
323.12585	2.1
355.15369	13.2
387.18002	11.0
405.19055	23.1
406.19342	0.6
423.19830	0.5
567.79315	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.4232
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.3
55.05501	5.6
57.00579	1.0
57.07074	7.0
59.04985	3.2
65.03928	2.0
67.05498	10.2
69.03423	6.6
69.07071	4.9
69.85284	1.2
70.70547	3.7
72.04500	1.7
79.05481	12.0
79.24080	0.9
81.07051	16.9
83.04965	3.8
83.08608	2.9
85.06521	3.0
91.05476	20.8
92.05800	1.6
93.07037	35.6
94.07417	1.1
95.04952	7.5
95.08593	17.9
97.06525	3.4
103.05438	1.7
105.07025	34.4
106.07326	2.3
107.08580	19.8
109.06521	9.3
109.10137	8.3
111.08075	1.8
115.05442	1.9
117.07022	8.4
119.04930	1.1
119.08571	34.5
119.09856	1.4
120.08936	3.2
121.06468	5.3
121.10136	17.3
122.07281	1.3
123.08069	15.0
123.11716	2.4
125.05978	5.1
128.06201	3.2
129.06990	5.2
130.07751	2.3
131.08559	16.0
132.08937	1.1
133.06464	1.8
133.10132	17.1
135.08064	9.8
135.11687	7.0
137.05907	1.2
137.09607	9.9
139.07515	1.7
139.11156	1.0
141.07008	1.9
142.07758	6.5
143.08553	14.9
144.09300	4.0
145.10109	25.5
146.10492	1.2
147.08038	19.8
147.11693	7.5
148.08418	3.1
149.09639	4.7
151.07536	12.1
153.09146	1.5
155.08537	5.1
155.62633	1.1
156.09326	4.7
157.10109	18.2
158.10680	3.1
159.08064	3.1
159.11697	11.8
160.12103	1.9
161.09615	4.8
161.13272	5.3
163.11183	9.1
164.11601	1.4
165.07014	2.0
165.09085	36.6
166.09428	2.9
167.08603	3.0
168.09251	1.7
169.10136	8.8
170.10822	2.6
171.11644	10.9
172.12402	1.5
173.09610	3.4
173.13194	7.6
175.11188	4.4
175.14850	4.4
176.11549	1.6
177.09151	1.9
179.08575	1.5
180.09462	1.5
181.10124	3.9
181.12221	10.4
182.10843	3.8
182.12480	1.2
183.11664	8.2
184.12202	1.3
185.13245	5.9
187.11136	2.3
187.14854	4.7
189.12714	4.4
190.13303	1.3
191.10588	1.5
191.14110	3.6
192.09390	1.3
193.10124	3.2
193.12267	2.6
194.10869	2.5
194.12602	1.8
195.11670	5.4
195.13644	1.6
197.13293	7.8
198.13695	1.8
199.11293	1.5
199.14818	2.5
201.12732	2.7
203.14293	16.0
204.14720	1.6
206.10931	1.7
207.11729	3.9
207.13832	6.4
208.12440	1.3
208.14455	1.5
209.13316	5.2
209.15129	1.6
211.11110	1.5
211.14825	3.8
212.11649	1.2
213.12718	2.2
215.14235	2.1
219.11797	1.7
219.13808	1.9
220.12349	1.6
221.13297	4.3
221.15335	100.0
222.13953	1.5
222.15712	9.0
223.14919	3.3
224.15491	1.1
225.12859	1.1
225.16333	1.2
229.15881	1.5
231.13794	1.5
233.13249	1.9
234.16167	2.9
235.14771	2.8
235.16811	2.6
237.16550	1.4
239.17873	1.6
247.14720	1.5
247.16925	5.7
248.17334	2.1
249.16435	2.0
263.17953	1.3
265.19574	1.5
267.17123	1.2
271.17047	1.7
274.19482	1.7
275.19998	1.5
283.20657	1.2
285.18732	1.9
286.19336	2.4
287.19983	7.6
297.22198	2.3
299.20142	5.0
300.20718	4.3
301.21652	3.8
312.21054	1.8
313.21506	2.0
325.21646	2.3
326.22122	1.5
340.24023	1.8
341.24338	1.9
352.23892	2.6
353.24319	4.3
365.24753	2.5
366.25024	1.4
367.26331	6.6
375.26990	1.5
378.25842	1.2
393.27927	3.3
421.30844	1.5
426.26801	1.5
428.28891	1.6
440.29208	2.8
441.29590	5.3
464.32590	1.3
491.35245	9.9
509.36191	5.4
521.35889	7.3
527.35498	1.6
565.39941	1.8
583.41193	11.9
601.42383	38.1
602.42749	2.6
603.75378	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.4233
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69735	1.3
53.03930	1.9
55.05502	5.3
57.07074	7.3
59.04980	2.3
65.03926	1.9
66.10580	1.3
67.05503	12.7
69.03426	6.6
69.07057	5.7
71.45390	2.9
79.05484	11.2
81.07047	15.8
82.63073	1.5
83.04972	2.8
83.08617	2.3
84.58220	1.3
85.06531	3.0
91.05473	22.2
92.05806	1.6
93.07044	28.4
95.04977	7.0
95.08610	16.8
97.06541	2.7
103.05463	1.5
105.07020	30.5
105.07690	2.0
107.08585	18.0
109.06498	9.3
109.10132	7.8
111.08039	2.6
117.07005	9.1
119.08572	31.6
120.08906	1.7
120.60302	1.3
121.06516	4.8
121.10128	21.8
122.10461	2.4
123.08053	16.1
123.11676	2.8
125.05979	5.1
128.06236	3.2
129.06975	6.3
130.07770	3.1
131.08560	16.3
133.06473	2.5
133.10115	17.2
135.08047	8.2
135.11678	5.8
137.09598	11.8
137.17590	1.5
139.11130	1.3
141.06961	2.8
142.07793	7.1
143.08606	12.3
145.10120	22.1
146.10455	2.0
147.08026	20.6
147.11653	7.4
148.08437	1.7
149.09625	4.9
151.07553	11.1
152.07858	1.5
155.08569	5.0
155.10724	1.4
156.09329	5.3
157.10118	19.5
158.10768	2.4
159.08040	2.2
159.11690	15.7
160.12012	1.6
161.09578	6.1
161.13257	5.2
163.11197	8.3
165.09106	35.4
166.09483	2.4
167.08597	2.7
168.09230	2.8
169.10139	9.2
170.10873	3.4
171.08102	1.3
171.11736	11.3
172.12135	1.3
173.09578	2.1
173.13242	6.5
175.11179	6.3
175.14801	5.5
176.11467	2.0
179.08554	3.5
179.10541	1.7
180.09265	2.1
181.10120	4.3
181.12241	10.8
182.10945	1.8
183.11656	8.0
185.13264	6.7
187.11182	2.8
187.14766	3.7
189.12730	5.5
190.13332	1.7
191.10664	2.7
191.14130	2.6
193.10150	2.9
193.12302	2.1
194.10831	2.2
195.11693	5.4
196.12453	2.0
197.13234	6.3
199.11086	1.5
199.14825	2.2
201.12686	2.0
203.14299	15.0
206.10974	2.3
207.11653	3.5
207.13780	7.9
208.14429	2.5
209.13246	5.0
209.15364	3.7
211.14807	5.2
213.12500	2.6
213.16269	2.5
215.14276	1.5
217.15637	1.9
221.13422	4.3
221.15346	100.0
222.15704	11.0
223.14764	4.8
227.14449	1.9
234.16051	2.8
235.16811	1.8
237.16411	3.3
239.17999	1.6
247.14839	1.4
247.16936	7.5
248.17305	4.0
249.16293	2.0
253.15819	1.5
261.16190	2.0
263.17508	1.8
265.19598	2.5
285.18640	2.0
286.19260	1.9
287.20224	6.9
297.21979	2.7
299.20074	4.5
300.20609	4.2
301.21622	5.6
312.20963	2.6
313.21484	2.8
325.21680	2.1
326.22098	2.1
328.23737	1.7
340.23828	3.1
341.24268	2.4
349.25372	2.6
352.23846	5.6
353.24332	5.2
367.26352	8.8
375.26877	1.9
377.25043	1.6
378.25272	2.1
393.28030	2.6
419.29163	1.7
420.29688	1.9
426.26895	1.5
427.28577	1.9
428.28638	2.8
440.28922	4.9
441.29440	8.8
444.58160	1.6
491.35114	11.4
509.35959	5.4
520.35150	1.4
521.35889	12.1
579.86212	1.9
583.41156	12.3
601.42358	42.8
602.42609	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	601.4096
Annotation	Unknow
Peak:m/z	Relative Intensity
52.41025	3.5
53.03960	4.5
55.01848	7.1
55.05510	22.5
67.05500	34.7
69.03436	3.4
69.07062	11.9
69.55214	23.5
71.05016	3.9
79.05492	44.5
81.03410	7.5
81.07051	100.0
83.04977	11.1
83.08629	18.0
87.04459	7.5
89.06028	20.7
90.06381	4.6
91.05475	21.3
93.07040	26.7
93.62392	3.6
95.04952	16.7
95.08610	17.3
97.06527	7.9
97.10155	7.9
98.20860	6.6
105.07038	30.3
107.04965	7.4
107.08611	19.4
109.06518	33.6
109.10198	7.3
111.04449	7.1
111.08055	4.3
117.07030	9.7
119.08577	28.1
121.06500	8.2
121.10143	10.4
123.08109	11.6
123.11698	6.9
125.09637	10.7
129.06964	6.7
131.08546	17.7
133.08618	12.8
133.10132	10.8
135.08012	8.0
135.11674	7.6
143.08530	6.4
145.10136	14.4
147.08080	6.5
147.11673	12.3
149.09604	10.5
149.13251	7.5
153.09157	4.7
157.10135	7.0
159.07927	3.0
159.11725	9.7
161.09636	5.8
163.11140	7.6
165.09148	3.7
173.09760	3.3
173.13277	4.7
175.11186	5.4
175.14772	2.9
177.11206	4.9
181.12294	3.5
183.11726	4.7
189.11270	6.5
189.12874	3.8
212.36090	2.8
227.12659	3.2
229.19585	3.3
239.18010	5.9
247.20621	6.2
249.14868	4.7
251.22070	3.2
273.18484	19.0
275.17310	4.9
275.20084	61.3
291.19537	66.2
291.22556	5.8
293.21039	8.2
384.18555	3.2
547.38190	3.9
565.38483	3.9
601.40991	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	600.4164
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	7.5
55.01839	3.7
55.05499	22.3
57.07063	11.2
65.03926	7.3
67.05505	34.5
69.03403	16.3
69.07060	22.6
71.04982	7.4
71.08611	3.1
71.27196	6.6
79.05476	35.7
81.07048	47.0
83.04977	22.9
83.08609	19.1
83.19411	2.9
83.21663	2.6
85.06528	10.3
87.04462	3.8
89.06009	22.2
91.05470	67.2
93.07034	75.0
95.04956	30.0
95.08594	41.0
97.06521	17.0
102.31094	2.8
103.05442	7.3
105.04517	2.9
105.07018	100.0
107.08576	79.9
109.06491	17.4
109.10139	38.1
111.08061	8.3
113.09658	7.2
115.05471	9.7
116.06247	3.6
117.06983	27.5
119.08567	95.3
121.06506	12.1
121.09323	5.7
121.10133	69.3
123.08050	30.8
123.11623	6.2
125.09606	16.6
127.56914	3.3
128.06187	18.9
129.06985	29.3
130.07755	9.4
131.08553	54.7
133.06480	6.2
133.08588	14.2
133.10101	51.5
135.08040	21.6
135.11678	13.1
137.09604	13.4
139.11206	7.8
141.06970	15.2
142.07753	37.1
143.08546	63.6
144.09331	15.9
145.06476	8.1
145.10110	76.5
146.10701	3.9
147.08023	17.0
147.11661	22.5
149.09612	14.9
151.07536	6.8
151.11147	3.7
153.06998	7.2
154.07709	4.7
155.08531	24.9
155.10649	12.6
156.09320	26.6
157.08823	5.3
157.10115	78.5
158.10840	10.3
159.08040	22.6
159.11671	48.7
160.08817	5.6
160.12372	4.4
161.09615	21.0
161.13260	9.4
163.11186	12.8
165.06981	9.6
165.09094	11.4
166.07661	6.3
167.01704	2.8
167.08603	12.9
167.10629	19.1
168.09322	9.8
169.10118	41.0
170.10905	17.7
171.07996	3.8
171.11667	53.4
172.12366	3.8
173.09625	13.1
173.13229	37.0
175.11172	18.8
175.14754	6.8
177.11156	4.9
177.12686	6.8
179.08519	16.5
179.14331	4.3
180.09306	7.4
181.10046	30.5
181.12241	8.0
182.10884	12.6
183.11676	34.4
184.12442	4.3
185.09634	5.8
185.13243	25.7
187.11224	9.9
187.14812	13.1
189.12791	9.5
191.14259	5.4
191.32005	3.1
192.09389	5.7
193.10135	18.6
193.11978	4.8
194.10881	15.3
195.11670	38.1
196.12361	9.6
197.09534	5.0
197.13245	38.1
198.13872	3.2
199.11142	11.6
199.14786	15.2
201.12729	8.8
201.16545	3.7
203.08600	5.2
203.14323	13.8
205.10098	5.7
206.10867	9.4
207.11691	23.8
207.13632	5.2
208.12514	14.5
209.13268	31.8
209.15170	5.9
210.14020	8.5
211.11198	6.3
211.14738	23.9
213.12764	13.4
213.16400	7.3
215.14317	12.7
216.09355	4.5
217.10149	4.5
218.16760	4.0
219.11656	8.4
219.13771	3.4
220.12482	8.2
221.13252	12.2
221.15347	16.3
222.13928	4.4
223.14804	20.2
225.12767	4.5
225.16409	10.0
227.14311	11.1
229.15823	6.1
231.11757	7.8
232.12558	6.6
233.13145	8.7
233.15378	26.0
234.13991	6.8
234.16173	6.5
235.14780	19.5
236.15550	5.7
236.41211	3.5
237.12805	3.4
237.16417	14.8
239.14417	9.6
239.17809	4.5
241.15887	4.5
243.11783	4.7
244.12505	6.0
245.13226	9.6
246.13959	5.1
246.16269	4.3
247.14735	7.1
247.17023	6.2
249.16383	8.4
251.14180	4.2
251.18013	7.7
253.15910	7.4
255.17400	33.5
257.19025	5.2
259.14749	7.5
261.16348	12.4
262.17209	5.9
263.17923	8.4
265.19458	4.5
269.19006	8.9
270.19705	7.4
271.14493	3.5
271.17142	5.2
273.18582	4.8
281.18958	12.0
285.18613	4.9
287.20233	4.2
289.19406	6.6
291.17493	4.4
296.21088	3.9
299.20303	6.0
305.19046	3.7
347.23712	7.2
365.24811	9.2
383.25931	7.5
415.25095	4.1
460.86414	3.3
582.40332	3.7
589.71631	3.3
600.41565	16.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.4165
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05478	11.8
57.07059	12.5
67.05481	18.7
69.03423	13.8
69.88576	46.2
79.05469	12.3
81.07048	24.6
83.08582	8.8
89.05985	10.3
91.05460	27.1
93.07043	32.2
93.69678	9.2
95.04939	17.9
95.08577	25.3
105.06387	7.4
105.07027	48.9
107.08587	20.0
109.10148	13.0
110.36741	8.0
117.06950	12.2
119.08552	59.2
121.10145	28.4
123.08018	17.7
125.05952	11.5
129.06956	11.4
131.08536	26.9
133.10147	12.3
135.08049	16.3
137.09543	19.9
143.08507	19.8
145.10110	36.3
147.07996	33.0
147.11705	12.2
149.09628	14.3
151.07573	15.8
155.08481	8.5
156.09273	11.5
157.10086	28.6
159.11699	14.0
161.09570	12.6
163.11095	15.6
165.09154	37.6
169.10121	12.8
171.11603	19.0
173.09731	8.2
175.11163	19.3
181.12201	14.4
193.12193	14.9
197.13194	11.9
201.12836	10.2
203.14224	18.0
207.13722	11.6
208.14510	9.8
209.13330	10.2
211.14752	12.4
219.13901	11.0
221.15369	100.0
234.16051	17.9
247.16928	33.2
251.89818	8.0
274.19241	20.4
299.20209	11.3
302.28156	8.3
312.20724	11.8
325.21497	15.0
340.23898	19.3
352.23965	21.8
366.26462	8.3
427.28162	19.4
440.29190	36.3
455.61792	9.8
508.35596	11.4
520.35114	33.1
600.41187	22.5
600.50018	12.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.4163
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	7.1
53.45416	2.8
55.05509	15.8
57.07075	8.5
59.05020	4.2
65.03914	3.7
67.05501	31.6
69.03429	17.5
69.07073	19.0
70.71006	4.1
70.71389	5.3
70.76000	2.5
71.04977	6.8
73.53653	2.5
79.05483	33.5
79.55965	2.8
81.07048	45.0
83.04989	21.6
83.08620	13.1
85.06531	10.6
87.04454	3.6
91.05476	57.6
91.06013	4.1
93.07030	75.1
95.04984	22.6
95.08599	37.5
96.80016	2.6
97.06526	18.3
97.10181	3.1
103.05469	3.0
105.07017	100.0
107.04948	6.1
107.08583	65.5
109.06512	21.4
109.10143	27.2
111.08089	6.1
113.09637	3.9
115.05465	8.9
117.07014	22.2
119.08575	90.4
121.06475	16.4
121.10135	52.1
123.08069	35.5
123.11679	8.0
125.09625	13.3
128.06172	16.0
128.18330	2.7
129.07018	28.3
130.07748	6.5
131.08551	50.9
131.09520	3.7
132.09364	4.2
133.06514	4.7
133.08568	4.6
133.10114	50.8
135.08014	21.3
135.11681	9.3
137.05930	4.1
137.09598	13.0
139.07539	3.3
139.11151	4.1
141.06967	15.4
142.07770	31.5
143.08548	51.9
144.09306	13.3
145.06479	7.6
145.10104	80.4
146.07237	3.7
146.10907	3.6
147.08051	24.0
147.11636	20.9
149.09630	15.2
149.13206	3.5
151.07547	15.8
153.06961	5.8
154.07819	5.0
155.08522	19.2
155.10660	8.9
156.09309	27.0
157.10110	76.0
158.10788	10.4
159.08031	22.1
159.11670	50.9
159.12848	4.2
160.08826	7.1
161.09628	17.5
161.13242	9.3
163.11182	9.3
165.07010	5.8
165.09119	17.6
166.07811	5.4
167.08559	12.8
167.10632	19.8
168.09326	8.0
169.10091	35.6
169.11371	3.2
170.10844	14.8
171.08076	3.9
171.11665	44.3
172.12364	7.5
173.09636	11.2
173.13223	23.6
175.11174	21.3
175.14842	5.1
177.09094	3.9
178.07698	2.9
179.08531	12.4
179.10728	3.6
180.09291	13.1
181.10117	20.0
181.12180	6.7
182.10881	14.2
183.11674	34.6
184.12367	4.9
185.09615	6.9
185.13213	21.6
187.11209	8.5
187.14796	8.1
189.12756	12.0
190.13499	9.1
191.14413	5.2
192.09332	8.6
193.10107	13.6
193.12067	4.7
194.10910	11.5
195.11659	27.7
196.12434	14.1
197.13225	31.7
199.11095	6.7
199.14818	13.0
201.12732	9.7
201.16216	3.1
202.13632	4.5
203.14198	16.5
206.10909	9.4
207.11668	17.8
207.13786	10.2
208.12369	7.8
208.14507	4.6
209.13264	28.9
209.15179	5.7
210.13908	7.1
211.11208	4.5
211.14799	24.7
212.15567	3.7
213.12709	11.7
213.16371	5.5
215.14273	9.8
217.15839	3.3
218.16586	4.4
219.11693	7.8
219.13745	4.0
220.12544	4.6
221.13249	17.0
221.15376	41.8
222.13789	3.6
222.15823	5.8
223.11296	4.8
223.14848	18.3
225.12778	7.7
225.16376	12.4
227.14290	8.1
229.15903	5.1
231.11646	5.4
231.13747	4.1
232.12434	4.5
233.13237	6.3
233.15366	23.6
234.13954	4.2
234.16098	13.1
235.14813	13.2
236.15417	4.3
237.12746	4.3
237.16423	12.7
239.14284	7.2
239.17854	4.0
241.15797	5.7
245.13187	6.2
245.15581	3.0
246.14102	4.5
247.14771	6.8
247.16948	5.0
249.16370	10.5
251.18083	4.5
253.15846	4.5
255.17395	32.1
257.13016	3.6
257.18976	3.8
259.14716	6.4
261.16397	9.5
262.17337	3.3
263.17972	7.6
265.19550	4.5
267.17374	3.1
269.18942	6.2
270.19757	4.9
271.17099	5.1
273.18646	7.0
274.19388	3.9
275.17841	4.4
277.19293	3.3
279.17529	5.7
281.18982	10.4
282.19983	3.8
285.18552	7.5
286.19144	7.8
287.20059	5.8
289.19608	5.5
293.19104	3.2
295.20413	3.6
299.20065	9.0
303.19595	12.9
312.20844	3.4
325.21539	7.1
335.19943	3.6
337.21375	2.9
345.21875	3.8
352.23932	23.0
365.24786	8.4
377.24640	4.2
383.25735	7.2
476.07782	3.2
502.33997	2.7
507.34647	4.5
508.34875	6.5
520.35352	8.8
543.62762	3.2
567.38239	4.9
600.41589	29.1
603.35376	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	600.4167
Annotation	Unknow
Peak:m/z	Relative Intensity
58.56136	9.2
59.04359	8.9
67.05492	36.0
79.05484	22.7
81.07051	25.4
89.06046	15.3
91.05479	32.0
91.18781	12.6
93.07027	31.5
95.08612	34.6
97.06580	11.2
98.21520	26.9
105.07034	45.0
107.08579	27.8
109.10188	13.3
119.08569	48.1
121.10117	20.1
123.08103	21.4
129.07001	13.8
131.08611	16.5
133.10127	22.1
135.08052	11.9
137.09641	13.1
142.07803	14.6
143.08527	21.7
145.10123	40.9
146.24011	9.9
147.08017	23.7
147.11758	12.0
149.09636	23.7
150.13512	11.2
151.07458	12.9
155.08546	17.0
157.10120	35.9
159.08147	10.2
159.11684	19.9
163.11205	24.4
165.09137	41.0
169.10135	15.6
171.11665	20.1
172.12410	11.3
195.11644	15.3
197.13306	14.9
203.14297	22.9
221.15344	100.0
222.15768	12.8
229.68681	15.0
234.16188	21.8
247.16823	25.7
274.19373	10.7
299.20074	13.7
340.23813	13.2
352.23886	20.9
353.52975	11.9
365.24796	11.2
374.70157	10.6
440.29160	38.6
520.35303	37.2
600.41522	38.2
621.19830	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	600.4164
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	5.0
55.05508	18.5
57.07063	12.6
57.20521	3.0
59.04990	5.1
60.93655	2.4
67.05492	26.2
67.70761	3.0
69.03421	19.3
69.07066	18.0
70.12183	9.9
71.04984	3.1
79.05492	33.5
81.07043	40.4
83.04962	22.8
83.08596	8.6
85.06547	5.6
89.06039	5.3
91.05475	51.5
93.07037	64.4
95.04969	25.8
95.08602	40.4
97.06520	9.8
97.10153	3.0
102.62257	2.5
103.71847	2.8
105.07019	95.7
105.07692	5.9
107.04964	4.4
107.08586	60.2
108.08882	3.4
109.06500	20.3
109.10126	19.6
111.08092	6.4
115.05458	7.7
117.07044	22.4
119.08572	83.0
121.06485	18.3
121.10129	46.9
123.08059	31.4
123.11662	5.3
124.57119	3.0
125.06003	5.4
125.09627	9.7
128.06226	14.9
129.07014	25.8
130.07770	7.9
131.08560	46.5
132.09340	4.4
133.06488	11.3
133.08627	5.5
133.10123	47.0
135.08052	25.6
135.11679	14.4
137.05945	6.0
137.09610	21.4
139.07481	3.0
139.11163	4.8
141.06975	9.1
142.07767	30.8
143.08556	47.7
144.09323	15.1
145.06509	5.7
145.10123	61.9
147.08031	42.5
147.11694	11.9
149.09601	24.0
151.07535	21.5
153.06952	4.2
155.08562	19.2
156.09335	24.2
157.10121	80.5
158.10878	11.2
159.08017	17.7
159.11673	41.6
160.08841	3.7
161.09624	27.9
161.13266	8.1
163.11125	20.9
165.06978	9.7
165.09108	49.8
166.07770	4.7
166.09450	4.6
167.08554	8.8
167.10640	20.6
168.09346	10.2
168.10902	3.1
169.10124	30.5
170.10855	12.5
171.08058	3.7
171.11674	37.4
172.12439	9.7
173.09654	14.8
173.13202	19.9
174.10378	4.2
175.11166	28.6
175.14760	5.0
177.09149	6.0
177.12762	6.8
178.09914	3.6
179.08540	10.8
179.10771	3.4
180.09282	8.6
180.11484	3.0
181.10146	18.7
181.12138	14.0
182.10840	9.2
183.11716	29.3
184.12451	6.4
185.09612	4.6
185.13252	21.7
186.10413	4.4
186.13902	5.9
187.11179	14.2
187.14861	6.2
189.12758	15.9
190.13483	9.2
191.14323	4.0
193.10135	15.7
193.12256	12.8
194.10849	6.2
195.11687	30.2
195.13557	4.9
196.12303	4.9
197.09497	4.0
197.11678	4.8
197.13254	26.3
198.13876	5.6
199.11226	7.8
199.14786	9.8
201.12752	8.2
203.14322	32.1
205.10147	7.1
205.12195	5.3
207.11655	17.8
207.13809	19.0
208.12366	10.1
208.14467	7.1
209.09775	3.1
209.13297	20.7
209.15038	4.6
210.13881	7.4
211.11128	7.3
211.14845	16.6
213.12720	14.2
213.16328	4.9
215.14320	8.4
217.10190	3.9
217.12241	4.6
219.11685	9.3
219.13802	9.2
220.12395	7.4
221.13268	13.9
221.15320	100.0
222.13812	4.2
222.15736	5.2
223.11189	5.9
223.14786	16.6
225.12743	5.7
225.16414	5.9
227.14380	7.2
229.15871	4.7
230.13133	4.2
231.11740	5.2
231.13817	4.3
233.13249	7.0
233.15369	26.1
234.15967	15.2
235.14746	10.4
237.12630	6.8
237.14662	35.8
239.14290	6.1
239.17891	3.7
241.15860	4.6
245.13301	5.5
246.13878	3.8
246.16158	4.0
247.14708	7.9
247.17049	9.9
248.14133	11.8
249.16440	4.7
250.15666	5.4
251.14143	3.5
251.18076	4.1
253.15833	9.1
255.17346	22.7
259.14673	3.6
259.17102	5.2
261.16440	7.7
263.14096	3.7
265.16043	3.2
267.17398	3.3
269.15558	4.7
270.19708	4.5
271.14487	3.5
271.17102	6.4
273.18820	3.5
274.19284	18.3
279.17572	6.9
281.19022	8.5
282.19455	3.9
285.18561	4.5
286.19366	15.1
287.20020	13.4
291.20932	3.5
294.19781	6.7
299.20056	12.4
303.19556	59.7
307.20471	3.5
309.75800	3.0
312.20773	5.1
313.21655	13.0
319.20728	3.3
325.21609	19.6
337.21481	12.9
352.23932	97.9
365.24680	18.8
377.24643	5.5
420.30411	4.0
439.28763	4.3
455.63031	3.2
487.31876	3.6
492.36102	3.2
502.34073	12.2
503.34769	7.5
505.32944	10.0
507.34787	18.3
508.35052	24.3
520.35437	51.1
582.40320	4.8
583.41125	3.5
585.39520	4.3
600.41376	50.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.4157
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05498	21.4
57.07085	8.6
67.05497	22.5
69.03426	14.4
69.07056	18.6
69.17574	78.3
71.15565	7.4
79.05491	37.6
81.07040	48.2
83.04966	10.9
83.08619	8.4
85.06529	12.9
89.06017	6.9
91.05468	49.6
93.07040	63.5
95.04970	19.1
95.08610	42.9
97.06516	18.9
105.07020	84.8
107.08601	57.3
109.06519	20.5
109.10160	19.9
115.05472	11.4
117.07037	16.3
119.08577	81.4
121.06506	11.2
121.10141	40.7
123.08048	38.0
123.11699	6.6
125.09601	12.3
128.06218	13.9
129.06989	25.6
130.07779	7.9
131.08577	41.7
133.06450	7.0
133.10129	38.3
135.08046	28.0
135.11641	14.7
137.09601	20.8
142.07762	26.3
143.08553	42.8
144.09360	10.8
145.10114	51.9
147.08023	33.3
147.11681	14.9
148.08340	7.9
149.09607	14.0
151.07550	25.5
155.08574	23.0
156.09302	22.3
157.10129	53.5
158.10818	10.3
159.08038	17.7
159.11716	34.3
161.09596	22.8
161.13287	11.8
163.11142	18.2
165.06998	11.2
165.09094	45.3
167.08517	9.4
167.10663	13.1
169.10144	25.5
170.10884	8.3
171.11697	28.0
173.09518	11.1
173.13199	11.0
175.11177	22.7
179.08618	16.2
181.10066	16.6
181.12187	11.2
183.11707	15.1
185.13258	17.6
187.11140	7.8
189.12741	8.3
192.09268	8.5
193.10159	18.7
193.12164	9.6
194.10834	13.7
195.11708	22.8
197.13264	17.4
199.14781	8.8
203.14285	18.7
206.10860	8.1
207.11740	11.9
207.13760	11.4
209.13234	23.3
211.14885	11.0
213.12476	7.7
217.12328	7.8
219.11760	11.0
221.13304	10.2
221.15311	100.0
222.15753	18.2
223.14775	14.2
225.12572	8.0
225.16353	8.6
231.11525	8.8
233.15303	20.2
234.16068	13.9
235.14684	14.1
237.12613	9.0
237.14833	20.4
247.16924	16.3
248.14145	12.6
255.17303	12.5
261.16113	8.0
271.14468	7.3
273.18640	8.6
274.19391	10.8
281.19012	7.7
286.19324	7.8
287.20111	8.3
299.20239	14.1
300.20425	8.0
303.19635	37.6
313.21719	14.3
352.23999	68.6
365.24741	12.4
385.79471	6.9
392.26535	10.3
420.29752	8.0
489.63712	7.2
502.34265	10.3
503.34985	11.0
520.35504	39.7
567.38586	7.9
582.40601	9.1
600.40991	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	600.4159
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	9.4
57.07067	8.9
64.67596	3.4
65.03942	4.2
66.89115	3.2
67.05499	22.0
69.03416	14.0
69.07050	11.1
69.80482	23.3
71.04977	4.1
78.47203	2.8
79.05495	18.7
81.07047	37.4
82.07401	3.8
83.04959	14.9
83.08599	12.0
85.06492	5.9
86.18970	3.5
89.06027	8.6
91.05472	37.3
93.07030	56.7
95.04931	12.9
95.08598	29.9
95.67850	3.5
97.06521	14.5
98.06853	5.6
105.07023	64.7
106.07292	3.7
107.08590	46.7
108.73769	3.9
109.06486	15.9
109.10125	18.8
111.08094	4.5
113.09623	4.4
117.07001	15.6
119.08567	70.6
120.08873	4.4
121.06509	7.1
121.09337	4.4
121.10136	38.3
123.08036	28.6
124.08382	4.1
125.09584	6.7
128.06206	6.8
129.06999	16.0
130.07777	7.2
131.08571	31.1
133.06479	4.6
133.10085	27.7
134.10435	3.9
135.08047	20.3
135.11676	11.0
137.09610	16.2
139.11119	4.6
141.06992	8.6
142.07764	20.8
143.08572	35.8
144.09314	8.0
145.10118	44.0
146.10442	6.1
147.08011	31.8
147.11655	9.6
149.09601	16.1
151.07555	20.5
152.07898	4.1
155.08502	14.5
155.10703	6.8
156.09286	12.4
157.10135	56.2
158.10754	8.1
159.08006	13.7
159.11664	28.5
161.09586	15.3
161.13264	11.4
163.11125	11.8
165.07001	4.2
165.09111	58.9
166.09343	7.7
167.08556	9.3
167.10625	7.6
168.09320	5.9
169.10147	18.5
170.10800	10.6
171.11649	28.8
172.12285	6.7
173.09612	13.0
173.13232	10.2
175.11215	18.5
175.14859	6.7
179.08531	6.9
179.10689	4.9
180.09314	7.1
181.10097	12.3
181.12213	14.1
182.10794	7.1
183.11694	20.4
184.12227	6.3
185.09596	4.3
185.13239	18.8
187.11099	8.6
189.12688	10.7
190.13449	5.5
192.09183	5.1
193.10141	12.4
193.12225	7.0
194.10814	7.1
195.11703	21.4
195.61964	4.3
196.12212	7.6
197.13307	17.3
198.13615	4.0
199.14745	6.4
201.12703	5.9
203.14452	20.2
203.16101	5.6
207.11641	15.0
207.13802	14.9
208.12357	6.6
208.14355	6.9
209.13216	22.1
209.15207	6.8
210.13904	5.6
211.14789	12.9
213.12773	7.2
215.14279	7.6
221.13252	7.8
221.15332	100.0
222.13776	4.7
222.15691	22.1
223.11185	4.5
223.14722	14.1
225.12720	5.0
227.14424	5.8
233.13261	6.3
233.15347	16.7
234.13860	4.9
234.15990	9.6
235.14827	8.4
237.14580	21.4
239.14182	4.4
245.13168	4.6
247.16959	11.1
248.13968	4.3
249.16284	4.9
253.15916	5.4
255.17429	15.9
259.17010	7.4
261.16232	5.7
265.15912	4.8
271.17062	4.4
274.19186	11.5
279.17297	4.8
281.19012	4.0
283.06622	4.3
285.18484	6.1
286.19250	13.9
287.20041	7.7
291.21301	5.2
294.19815	5.7
299.20087	10.8
300.20432	5.0
303.19455	32.6
309.18430	3.9
311.20160	5.9
313.21552	15.0
325.21439	10.2
337.21664	8.8
352.23950	72.2
353.24323	4.9
362.25037	3.9
365.24667	14.8
366.24915	4.4
391.25937	5.4
392.26608	6.0
420.30078	5.3
495.23331	4.0
502.34140	7.0
503.34940	8.1
505.32755	6.4
507.34872	5.3
508.34949	11.5
520.35535	39.4
582.39746	6.3
600.41168	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	600.2944
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	0.6
55.01865	1.3
55.05507	3.6
56.05029	0.5
57.03423	0.8
58.99574	1.2
67.05499	7.7
69.03423	0.5
69.07066	4.0
69.31673	4.0
70.06586	0.7
71.04990	0.7
71.16028	0.4
74.00659	2.2
76.02218	2.4
76.03987	0.7
76.16306	0.4
79.05487	6.7
80.05000	1.8
81.07050	20.2
81.07533	1.0
82.06571	0.7
83.04970	1.3
83.06084	1.8
83.08608	2.1
84.04497	5.0
84.08113	0.5
85.01146	0.9
85.06540	0.7
86.00662	0.8
87.02702	0.6
88.02178	0.5
91.05471	7.4
91.79792	0.4
93.05730	0.5
93.07033	7.3
94.06567	1.4
95.04953	2.5
95.07980	0.6
95.08596	10.7
97.01110	1.4
97.06509	1.3
97.10178	0.6
98.20775	0.6
99.01421	3.6
99.02644	1.1
99.05570	1.0
100.02195	5.9
100.11224	0.9
105.07027	7.3
106.06523	0.8
107.04951	1.3
107.08588	4.9
108.08091	0.9
109.06499	3.4
109.10134	2.8
111.02673	1.4
111.08092	0.9
112.02178	7.4
113.00581	0.5
113.02962	0.8
113.04247	0.7
114.03739	8.0
116.01670	1.6
117.07003	2.1
119.08549	4.0
120.08115	1.2
121.06490	1.2
121.10145	2.9
123.02634	0.6
123.08047	1.0
123.11685	1.1
125.04235	1.0
125.09683	0.7
126.03741	2.7
127.07448	0.4
129.06670	1.6
130.04994	1.8
131.08562	4.4
132.08078	0.5
133.10092	2.9
134.09618	0.7
135.08031	1.0
135.11662	1.6
136.03928	0.5
137.04189	0.7
137.09607	0.7
138.03703	2.1
138.30281	0.4
139.02129	0.4
139.03177	0.5
139.05759	0.6
140.05281	7.3
141.07072	0.5
142.03163	0.7
143.08516	1.0
144.01137	0.7
145.06137	0.8
145.10100	2.1
147.07912	0.6
147.11691	4.1
148.11104	0.5
149.04198	0.4
149.09579	1.1
149.13235	1.5
151.11140	0.9
152.05249	2.1
153.06505	0.5
154.06836	1.1
159.07997	0.4
159.11697	1.4
161.09619	0.8
161.13345	0.4
162.02196	1.4
163.11203	1.3
163.14799	0.6
165.12740	0.8
166.06862	1.4
167.07402	0.4
168.08400	15.6
171.11697	0.6
173.13235	2.4
175.14758	0.5
179.04854	1.3
181.06068	0.9
182.15407	0.7
185.03766	2.9
187.05367	0.7
189.12717	0.5
191.14313	1.2
202.04062	1.6
202.15915	0.5
209.09175	0.5
209.15324	2.3
210.14914	0.5
216.05621	2.3
222.15016	0.6
231.04384	3.1
233.05956	1.6
236.14616	1.5
236.16742	0.7
241.06471	1.1
247.20659	0.6
255.07939	2.3
257.19012	0.7
264.14136	6.0
265.15005	0.5
269.09564	2.2
270.10300	6.4
271.11060	1.5
273.18463	0.5
275.20056	7.4
281.14407	1.9
282.15195	32.1
292.22672	0.4
293.21188	2.0
307.17218	1.1
308.09085	1.4
323.15988	0.7
324.19870	0.6
332.20563	0.6
333.18832	2.4
339.17502	1.0
350.21481	9.5
351.19962	1.8
368.22516	10.4
378.21112	1.6
384.12134	0.8
384.17111	13.5
385.17831	3.4
435.23145	0.7
450.55283	0.4
453.24136	100.0
454.24307	1.4
479.26202	1.0
507.25931	0.5
525.26257	5.7
582.28339	1.5
583.26941	0.7
600.29834	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	600.2941
Annotation	Unknow
Peak:m/z	Relative Intensity
54.34536	0.5
55.01868	1.4
55.05510	5.2
56.05026	0.6
57.07087	0.6
57.88275	0.5
57.98798	0.9
58.99582	16.6
61.01139	0.6
61.84659	0.5
63.32095	0.4
65.03953	0.5
67.05495	7.4
69.03409	0.6
69.07062	5.6
70.06582	0.7
71.04098	0.6
71.04435	1.0
71.04989	0.9
73.01122	0.5
76.02219	73.0
76.03985	2.9
77.75169	0.4
79.05482	6.9
80.05014	0.5
81.07047	10.4
83.04972	2.3
83.06100	1.8
83.08611	1.5
83.50097	0.5
84.04495	12.4
84.04971	0.9
86.99046	4.2
88.02208	1.7
90.54584	0.4
91.05467	6.6
93.07036	11.0
95.04967	2.9
95.08593	7.2
97.01141	0.5
97.06510	1.1
97.10157	1.7
99.05598	1.0
102.05585	0.6
104.22025	0.5
105.07016	8.9
107.04944	2.2
107.08582	5.5
108.83119	0.5
109.06516	4.2
109.10151	3.2
114.03790	0.9
116.01664	21.1
117.06966	2.6
119.08569	6.1
121.06500	3.6
121.10137	3.5
123.08054	2.1
123.11692	1.1
125.09636	1.3
129.06642	2.0
130.04987	5.8
131.08559	6.3
133.06419	0.8
133.10121	5.9
135.08052	1.6
135.11694	1.9
137.09680	1.1
141.04819	0.9
142.03204	7.6
143.08577	1.0
144.01131	12.2
145.06230	0.9
145.10104	4.8
146.02715	0.6
147.08035	1.4
147.11655	4.5
149.09628	1.5
149.13254	1.2
151.11185	1.6
153.06519	0.6
155.08438	0.7
157.10139	1.2
159.08000	0.5
159.11679	2.9
161.09625	1.8
161.13260	2.2
162.02190	38.6
163.11171	1.3
169.10071	0.7
170.02670	3.5
171.11725	1.3
171.39967	0.5
173.13240	2.8
175.11209	1.1
175.14790	0.7
177.12714	0.9
179.04836	100.0
183.11688	0.9
185.13245	0.7
187.05327	2.8
187.11163	0.9
189.11240	0.6
189.12773	0.9
191.14418	0.7
197.84846	0.5
201.12741	1.3
207.13832	1.9
213.16609	0.6
215.04840	1.4
219.13815	1.4
229.19518	0.7
233.05876	11.5
233.15440	0.6
239.17949	1.2
245.05905	3.7
247.20471	1.0
257.19043	4.4
257.21408	0.8
273.18460	3.3
275.20041	30.8
291.06372	2.4
291.19577	2.8
293.21069	20.5
308.09070	27.8
331.68219	0.6
351.19836	0.6
365.19434	0.5
368.22455	8.5
378.21085	0.7
453.24127	6.1
471.24805	1.4
479.24994	0.8
507.25458	0.6
525.26331	4.3
582.28113	1.7
600.29468	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	600.2644
Annotation	Unknow
Peak:m/z	Relative Intensity
53.67762	0.4
67.43826	0.4
69.03425	0.9
70.06586	1.8
71.52926	0.3
71.53310	0.5
72.08142	0.7
78.04684	1.3
79.05473	1.1
81.03410	0.4
81.07014	0.5
84.04494	0.5
84.08124	1.0
85.02914	1.8
86.09685	1.4
91.05453	0.9
93.07040	0.5
95.04971	0.5
97.02873	0.8
105.03391	0.5
105.07038	3.6
105.21077	0.4
106.04156	0.8
107.04942	1.4
109.06513	0.4
115.05445	0.6
120.08119	0.5
121.06556	0.6
123.04410	3.3
124.05207	1.3
127.03851	0.4
133.06470	3.4
137.05928	0.5
145.06479	0.5
149.06036	0.7
151.57628	0.4
152.04677	0.9
161.05977	6.5
167.07025	100.0
168.07378	2.2
173.05928	0.6
180.08646	0.6
181.08537	1.1
193.08592	11.9
205.08549	1.1
206.08830	0.5
211.09657	10.6
269.12732	0.3
292.51208	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.2646
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	1.0
61.86946	0.7
70.06580	4.4
71.04540	1.2
72.08136	1.0
81.03403	0.8
81.07025	0.8
84.04501	1.3
84.08109	1.0
85.02893	2.0
86.09682	2.5
91.05458	1.7
93.07027	1.0
97.02858	1.6
104.92941	0.7
105.06979	0.8
107.04947	1.2
115.05347	0.7
117.06994	1.6
124.88747	0.7
125.54501	0.6
128.06218	2.4
129.06975	4.6
131.08571	6.0
132.69708	0.8
133.06477	1.0
141.06973	1.2
143.08466	0.8
144.05716	1.7
145.06476	1.6
146.07254	1.2
157.06494	3.6
159.08051	9.9
159.09277	1.2
160.05206	0.7
161.09607	2.6
162.93842	0.7
167.06973	1.1
169.06383	0.8
170.07275	2.2
171.08020	2.4
172.05270	1.1
173.05901	1.0
174.06804	1.1
175.07590	1.2
178.06075	0.7
179.67393	0.7
187.07535	8.5
189.09137	4.1
191.07040	0.8
199.07526	1.3
201.08826	1.0
203.07051	1.7
204.07822	5.9
205.08580	1.2
216.07785	1.3
217.08539	0.7
219.10194	2.4
221.11786	2.0
231.10152	3.0
233.11720	1.6
245.99570	0.7
249.11211	100.0
250.11501	1.4
251.12737	2.6
267.12350	3.4
340.75766	0.8
473.54376	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.1388
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	1.5
55.01863	0.7
55.08899	0.2
57.03444	0.4
61.02906	0.4
65.03931	3.3
67.05500	0.4
69.03419	2.4
69.41396	0.5
69.41799	1.8
70.06583	0.7
71.01325	0.5
71.04970	0.5
72.08131	0.4
72.86278	0.3
73.02920	0.5
79.05493	0.4
81.03412	7.9
81.07053	0.4
82.56047	0.2
84.08138	0.7
85.02895	3.0
85.07679	0.4
86.09695	0.5
87.04471	0.3
91.05450	0.2
92.02621	0.4
93.03414	0.5
93.07027	0.4
95.04959	5.0
97.02889	5.2
97.89275	0.3
99.04449	1.0
107.04944	8.6
109.02876	3.2
111.04431	2.2
120.04465	0.3
121.02854	100.0
122.03187	0.7
127.03885	1.6
133.36241	0.3
135.11717	0.4
139.03889	12.2
145.04926	0.5
147.04408	0.3
151.03897	0.5
153.01813	3.1
157.70351	0.3
165.01961	0.3
167.54799	0.3
177.05428	0.7
187.03937	0.3
201.05446	0.4
205.04951	0.3
217.04922	0.6
218.05864	0.3
228.04207	0.5
229.04956	1.6
231.73450	0.3
235.05942	0.4
243.06625	0.3
245.04442	0.7
246.05251	0.8
247.06104	0.3
257.04440	1.6
258.51294	0.3
259.05991	1.0
265.07056	11.9
271.05896	0.4
273.03992	0.8
274.04675	2.0
283.08173	2.7
284.03220	0.4
285.03955	1.7
289.06360	0.5
301.07068	0.5
302.04236	5.1
317.06534	44.0
318.06989	0.7
341.10190	0.4
353.09912	0.3
359.07553	0.8
368.18591	0.3
383.11206	0.8
395.11139	0.6
407.11057	0.7
413.11816	0.4
431.13089	1.1
449.12350	0.3
461.12076	0.6
497.14359	0.6
599.25391	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	598.3063
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	1.8
55.05510	1.0
57.03431	1.1
57.07072	17.6
61.02909	2.4
63.12899	0.7
67.05486	2.9
69.03423	5.4
69.07050	2.0
70.06549	0.9
71.04608	1.6
71.05009	0.8
71.08616	1.1
73.02909	0.8
74.64128	0.6
79.05463	0.6
81.03387	2.5
81.07030	1.7
84.08102	0.9
84.71087	0.7
85.02893	19.8
85.06535	25.1
91.05471	1.1
93.07025	2.1
95.04964	5.4
95.08596	9.3
97.02892	6.6
97.10149	0.8
99.04460	1.6
101.02363	1.0
105.07014	1.6
107.08557	2.2
109.02865	2.7
109.05801	1.4
109.06503	19.1
109.10152	4.1
109.44999	0.6
111.08069	0.7
113.06007	0.9
119.08558	2.7
121.10150	0.7
123.08067	6.0
125.05933	1.1
125.09625	1.2
127.03920	4.3
135.08049	1.0
137.09599	9.9
145.04970	3.6
147.11594	0.7
153.09084	5.6
155.10654	14.4
161.13269	1.0
165.09105	1.5
175.14772	1.5
179.14288	29.8
193.15857	2.9
209.69197	0.7
221.15393	6.2
237.14871	0.8
239.16394	100.0
240.16759	1.3
241.18076	0.9
257.17456	58.1
315.30441	0.7
333.20508	0.8
401.21704	6.4
614.01031	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	598.2699
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10868	1.4
51.13705	1.5
51.49268	1.5
53.03942	5.9
55.01864	3.8
55.05513	4.3
56.05061	1.8
57.03442	5.6
61.02925	5.0
67.05500	4.6
69.03420	22.6
69.07072	4.3
70.06605	5.4
71.05000	2.3
71.52123	2.1
71.52501	2.5
73.02908	4.0
79.05488	14.5
81.03407	20.9
81.07051	9.6
84.08175	1.9
85.02898	55.2
86.09721	5.4
87.00815	15.7
87.04453	2.2
91.05462	19.6
93.07032	84.0
94.23518	1.5
95.04978	6.1
95.08595	15.7
96.08960	1.7
97.02884	24.8
98.86841	1.6
99.04472	6.7
101.07172	2.0
105.01855	33.7
105.04558	1.7
105.07019	8.1
107.04966	5.7
107.08580	100.0
109.02868	13.3
109.06516	3.8
109.10171	4.4
112.08788	1.7
115.03983	1.5
115.05432	4.5
117.06981	9.3
119.08617	3.3
121.10207	1.9
123.04427	3.4
125.09610	1.9
127.03909	34.5
129.07014	2.6
129.10233	1.8
131.08582	3.6
133.10155	2.5
134.13818	1.7
135.11678	79.8
136.07637	1.9
145.04932	19.5
145.06473	16.8
147.02913	2.2
153.12720	12.6
156.05713	5.0
157.62901	1.6
159.02943	5.7
159.08099	6.1
167.07024	31.4
173.05978	34.9
173.07356	2.7
180.08713	2.8
187.07611	3.8
190.06233	24.2
190.07780	2.1
193.08566	2.2
194.53633	1.6
202.06346	3.0
203.07048	3.8
205.08583	55.2
213.03894	3.4
217.08557	20.3
219.10245	1.9
231.04982	10.1
235.07469	2.6
235.09613	17.4
247.09712	5.1
249.05971	8.2
261.14935	1.9
265.10681	17.4
282.08658	1.6
303.05176	2.5
304.05307	3.8
314.30154	1.9
315.08606	2.5
330.11090	2.4
383.15051	5.2
401.16211	4.5
413.49872	1.9
419.04428	1.8
436.53030	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.3026
Annotation	Unknow
Peak:m/z	Relative Intensity
52.87632	2.5
55.05501	9.6
56.29800	2.5
57.03426	8.5
60.49516	2.3
65.65684	2.4
67.05502	29.6
69.07061	16.3
69.83202	13.9
79.05487	11.5
80.71461	2.3
81.03403	8.7
81.07043	31.2
83.08616	9.8
85.02917	2.9
91.05476	6.9
93.07040	10.1
95.08594	21.3
97.06532	2.3
97.10172	2.4
98.20742	3.2
98.98459	28.8
105.06986	5.5
107.08591	8.1
109.02870	8.3
109.10124	7.9
119.08533	5.2
121.10210	3.2
123.11742	3.2
127.03944	3.4
133.10126	3.6
155.01068	4.2
163.06062	3.8
169.04364	2.6
190.67082	2.1
245.22470	2.8
261.03714	9.0
263.23657	3.4
335.07681	3.2
337.27325	100.0
591.91217	2.6
597.12988	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	598.249
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03917	1.3
53.13649	1.3
55.05501	2.7
60.04507	2.6
61.02892	1.9
65.03899	1.3
67.05495	2.4
69.03397	3.9
69.28210	1.7
70.06593	6.7
72.08163	1.8
77.85472	1.4
79.05470	2.7
81.03412	13.4
81.07043	2.3
85.02897	11.6
86.09694	4.4
91.05461	4.4
95.04960	2.1
97.02869	3.5
103.05452	2.9
105.07021	2.8
107.04945	9.3
107.08556	2.0
109.02859	2.1
110.07180	1.7
114.20850	1.7
115.05419	6.3
117.07001	13.7
120.08070	2.7
123.04410	4.0
127.03909	2.6
129.07011	2.2
129.10197	2.1
131.04919	2.7
131.08530	3.7
133.06454	2.2
133.10222	1.4
144.05688	3.0
145.04883	1.7
145.05153	1.7
145.06480	30.9
147.04343	1.7
147.08073	1.6
155.06012	4.2
156.05655	5.7
159.08061	5.6
161.05966	4.4
163.03880	1.4
163.07474	1.3
167.07021	53.1
173.05975	56.3
175.07614	1.7
177.05486	1.6
179.06958	1.5
180.08730	3.7
181.04947	2.3
184.05203	1.9
187.07520	6.2
190.06244	33.3
191.06958	2.7
193.08633	4.2
202.06215	5.2
203.06981	6.9
205.08588	100.0
206.08794	1.8
215.06958	1.7
216.14923	1.3
217.08585	40.8
219.10185	3.7
223.09470	3.1
229.69003	1.4
235.09654	25.2
236.04236	1.4
247.09544	7.6
248.08461	1.8
263.10794	2.3
265.08023	1.9
265.10678	25.1
266.11069	2.0
271.09848	2.4
291.10059	1.8
315.08636	5.1
323.12811	1.7
327.63730	1.4
330.10962	6.1
331.11758	3.2
351.12234	2.7
371.14706	2.2
383.14795	10.1
400.72455	1.5
401.15857	8.7
506.29828	1.6
598.24359	1.7
598.45630	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.2876
Annotation	Unknow
Peak:m/z	Relative Intensity
52.39664	1.4
53.03937	2.7
55.05510	9.0
57.03433	7.7
57.07063	1.4
65.03927	2.6
67.05499	35.0
69.07057	9.4
70.71024	2.9
71.04966	1.4
74.06561	1.1
79.05488	17.4
81.03407	13.6
81.07047	29.7
83.08612	4.1
85.02895	1.4
85.06541	1.5
91.05487	11.4
93.07044	19.4
95.04942	3.0
95.08604	28.6
97.06501	1.8
98.98454	26.2
105.07051	6.4
107.08602	11.1
109.02891	9.3
109.10155	9.5
116.99490	2.0
117.07007	2.0
118.32659	1.3
119.08582	5.5
121.10152	9.0
121.10886	1.6
123.11729	3.4
127.03911	2.6
131.08531	4.0
133.10144	5.4
135.11684	5.6
137.13272	1.9
141.79854	1.2
145.10130	3.4
147.11659	3.5
149.13248	4.8
155.01044	2.3
159.11649	1.9
161.13249	2.4
163.05989	2.5
163.14850	2.4
173.02101	3.3
187.14883	2.1
243.20987	2.5
261.03662	10.5
261.22076	4.6
279.37012	1.6
317.24640	3.2
335.07468	2.6
335.25775	100.0
336.26071	4.7
337.92441	1.3
470.67551	1.6
487.93289	1.2
556.39136	1.6
595.46924	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.1651
Annotation	kaempferol-3-O-rutinoside
Peak:m/z	Relative Intensity
55.05478	0.3
57.03199	0.2
57.03427	3.1
62.97359	0.3
69.03401	0.8
69.17580	2.2
69.17995	0.8
70.06563	1.1
71.01327	0.6
71.04984	18.8
72.08129	0.3
73.02891	0.8
75.04454	1.1
75.73388	0.3
79.05468	0.3
81.03376	0.3
81.07069	0.3
83.04961	0.7
84.08138	0.4
85.02895	25.1
86.09679	0.9
87.04449	0.6
95.69579	0.3
97.02855	0.7
99.04447	0.5
105.03374	0.3
109.02878	0.5
110.07127	0.5
111.00772	0.6
111.04425	1.1
120.08084	0.3
121.02849	2.3
127.03876	0.6
129.05460	5.6
129.10207	0.3
131.23509	0.2
133.02795	0.3
136.07506	0.5
137.02295	0.6
145.02769	0.3
145.04944	0.5
147.04385	0.5
147.06502	1.1
147.11427	0.3
153.01791	3.4
157.06439	0.5
161.71306	0.3
165.01837	2.0
167.06984	0.5
173.80164	0.3
181.04890	0.5
183.02849	1.0
185.05875	0.4
213.05399	1.3
231.06459	0.7
241.04947	0.6
243.11208	0.6
258.05298	1.2
259.05963	0.5
271.10709	2.4
287.05460	100.0
288.05658	1.4
290.31122	0.3
299.05554	0.7
329.06561	1.5
397.09311	0.9
415.10052	0.6
426.53638	0.3
433.16248	1.2
449.10754	16.1
595.16614	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.1656
Annotation	Datiscin
Peak:m/z	Relative Intensity
52.81356	0.2
55.01871	0.3
55.05506	0.5
56.65707	0.2
57.03432	3.0
59.13610	0.2
60.54832	0.2
61.02923	0.4
65.03946	0.2
68.99801	0.4
69.03432	1.0
70.06580	0.9
70.86037	0.5
71.01357	0.3
71.04987	19.8
72.08150	0.5
73.02905	0.4
73.08465	0.2
74.06076	0.2
75.04483	1.2
78.70964	0.2
79.05491	0.3
79.38824	0.2
81.03400	0.4
81.07043	0.2
83.04980	1.3
84.04504	0.3
84.08131	0.6
85.02898	26.8
86.09711	0.6
87.04459	0.7
87.77815	0.2
95.04933	0.3
97.02888	0.8
99.04443	0.4
101.05976	0.2
101.07136	0.2
102.05523	0.3
105.03371	0.3
107.04964	0.5
109.02898	0.6
110.07169	0.3
111.00787	0.5
111.04421	0.6
120.08083	0.6
121.02859	2.1
127.03889	0.8
129.04503	0.4
129.05472	6.7
129.10214	0.2
133.02878	0.4
136.07614	0.3
137.02330	0.8
145.02902	0.2
145.04938	0.6
145.06525	0.2
147.04428	0.4
147.06541	1.4
153.01819	2.6
157.06485	0.3
161.05930	0.2
165.01845	1.7
167.07013	1.1
171.04414	0.2
177.05446	0.2
181.04909	1.2
183.02901	1.0
185.05936	0.4
203.06953	0.3
213.05473	1.5
231.06442	0.7
233.08063	0.2
241.04941	0.7
245.04619	0.2
258.05215	1.2
259.06058	0.5
260.38257	0.2
287.05472	100.0
288.05673	1.2
299.05521	0.4
329.06448	1.0
353.06421	0.5
363.57986	0.2
387.14252	0.4
397.09436	0.3
403.13858	0.4
415.13910	0.7
433.11163	0.7
449.10773	15.2
450.11093	0.5
593.80408	0.2
595.22473	0.3
595.32031	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.1654
Annotation	Pelargonin
Peak:m/z	Relative Intensity
53.03928	0.1
54.22393	0.1
55.01844	0.2
55.78006	0.1
57.03425	0.2
60.50628	0.1
61.02904	0.4
68.79430	0.1
68.99802	0.1
69.03423	1.2
70.06564	0.2
70.10310	0.1
70.78317	0.3
71.04984	0.3
73.02903	0.2
77.03957	0.2
81.03433	0.5
85.02898	2.7
91.03960	0.1
91.05477	0.2
95.01313	0.3
97.02885	0.8
103.05457	1.0
105.03371	0.4
107.04963	0.1
109.02878	0.2
119.04937	0.3
120.08064	0.2
123.00787	2.4
123.01684	0.1
127.03915	0.5
129.05411	0.1
131.04878	0.1
136.07585	0.1
141.01817	0.4
141.06970	0.1
145.04903	0.3
147.04375	0.2
161.51955	0.1
167.07028	0.4
169.01321	1.0
175.03893	0.4
181.04964	0.4
197.06006	0.2
207.04552	0.2
207.06459	1.0
225.05446	0.7
229.04860	0.1
253.04933	1.8
261.22818	0.1
270.04996	0.1
271.05978	100.0
272.06354	2.0
272.09290	0.1
287.05472	0.3
317.06589	0.4
352.10254	0.1
416.14581	0.2
433.11258	3.0
441.16309	0.1
453.63577	0.1
595.21234	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	595.2009
Annotation	Didymin
Peak:m/z	Relative Intensity
55.05529	11.0
69.03427	19.2
70.06579	21.9
71.04984	65.0
71.52783	7.2
72.08131	8.8
79.05474	10.7
81.03426	9.7
81.07048	17.8
84.04490	10.4
84.08148	12.0
85.02898	78.4
86.09698	19.0
91.05450	20.2
93.07035	8.3
95.04956	12.9
95.08592	8.1
97.02885	8.2
105.03406	8.6
105.07076	10.9
107.04965	20.7
107.08565	12.2
109.19735	8.7
120.08091	10.9
121.06517	7.7
127.03900	8.9
129.02411	7.2
129.05490	17.3
131.04968	15.6
135.04344	8.7
137.05962	16.4
161.05949	9.7
165.05415	9.7
167.07018	72.7
168.00510	14.4
173.36639	7.9
179.03450	9.0
179.07129	11.4
181.05011	16.2
182.01999	11.2
183.02922	42.7
186.01520	9.4
195.02882	12.3
207.02905	10.0
207.06491	13.5
213.03912	21.6
221.04356	13.0
225.03938	100.0
249.03925	32.7
261.04190	10.0
271.05905	8.4
279.04855	8.1
286.08203	15.6
287.06036	12.9
287.09030	70.1
299.09119	25.4
311.09045	7.9
327.07050	11.8
329.10016	39.7
336.36810	8.2
353.10202	40.3
365.10239	12.6
413.12094	10.7
431.13394	14.2
561.20673	8.3
595.21619	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	595.1653
Annotation	Datiscin
Peak:m/z	Relative Intensity
53.03932	0.3
55.05510	0.2
56.55589	0.2
57.03193	0.2
57.03432	1.8
57.45902	0.2
61.02923	1.5
68.99787	0.4
69.03410	0.5
70.06575	0.7
70.17592	0.6
70.18003	0.3
71.04986	10.9
72.08140	0.2
73.02905	0.7
75.04459	0.5
81.03403	0.2
83.04961	0.5
85.02898	13.3
86.09694	0.4
87.04478	0.3
91.03944	0.9
97.02871	1.0
99.04456	0.2
105.03393	0.2
107.04937	0.4
109.02858	0.3
111.00790	0.8
111.04443	0.5
121.02855	2.0
127.03882	0.6
129.05472	3.3
129.06946	0.2
129.10155	0.2
133.02856	0.6
137.02319	0.7
141.74989	0.2
145.02863	0.2
145.04938	0.5
145.06531	0.2
147.04353	0.6
147.06503	0.9
153.01810	3.2
159.31061	0.2
161.05972	0.3
165.01837	1.4
171.04413	0.3
177.05441	0.5
181.04910	0.3
183.02859	1.0
185.05956	0.4
187.74939	0.2
189.05489	0.3
207.06567	0.3
213.05444	1.2
231.06512	0.7
241.04866	0.7
258.05182	1.0
259.05997	0.5
271.05930	0.6
287.05466	100.0
288.05783	2.5
299.05472	0.4
311.90134	0.2
329.06415	0.5
353.06461	0.4
449.10660	0.8
587.74323	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.1653
Annotation	Datiscin
Peak:m/z	Relative Intensity
53.03938	0.3
53.72151	0.1
55.01868	0.3
55.05501	0.3
57.03432	1.9
57.55323	0.1
57.68269	0.1
59.04993	0.2
61.02915	0.5
66.67580	0.1
68.99794	0.4
69.03421	0.9
70.06602	0.1
71.01335	0.2
71.04984	11.7
73.02913	0.4
75.04466	0.3
81.03410	0.5
83.04981	0.5
85.02897	15.7
86.09697	0.2
87.04456	0.4
91.03941	0.2
91.05482	0.2
97.02882	1.3
98.29473	0.1
99.04430	0.2
105.03383	0.2
107.04928	0.2
109.02861	0.5
111.00785	0.5
111.04435	0.4
112.41632	0.1
116.86909	0.1
121.02858	1.7
127.03917	0.7
128.59247	0.1
129.05472	3.3
133.02850	0.4
137.02338	0.5
141.06876	0.1
145.04988	0.7
147.04369	0.6
147.06482	0.9
153.01817	3.1
153.03011	0.2
157.06525	0.4
165.01819	1.2
169.06639	0.1
183.02859	0.9
185.05945	0.3
213.05421	1.3
221.51035	0.1
231.06438	0.6
235.90440	0.1
241.05002	0.6
258.05255	0.8
259.05984	0.3
287.05469	100.0
288.05786	2.5
329.06458	0.3
449.10605	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.1651
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03424	1.7
61.02918	1.2
68.99774	0.8
69.03404	0.7
70.06589	0.2
70.17284	1.0
71.04982	11.0
73.02892	0.4
75.04464	0.5
83.04961	0.5
85.02895	13.2
86.09670	0.4
87.04479	0.2
88.12101	0.2
91.03920	1.0
95.41982	0.3
97.02883	1.0
104.87300	0.2
105.03327	0.2
107.04948	0.4
109.02787	0.3
111.00761	0.6
111.04432	0.3
120.08133	0.2
121.02862	2.3
127.03872	0.6
129.05457	3.2
133.02852	0.6
137.02345	0.3
138.37410	0.2
145.04919	0.3
147.04355	0.6
147.06482	1.0
153.01794	2.8
157.06459	0.5
165.01825	1.4
170.68738	0.2
181.04857	0.4
183.02847	0.5
207.06609	0.5
213.05438	1.0
231.06487	0.7
241.04901	0.7
258.05191	1.0
259.06067	0.5
267.57343	0.3
287.05463	100.0
288.05829	2.5
299.05569	0.4
353.06268	0.3
449.10913	0.5
458.28598	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.3524
Annotation	Unknow
Peak:m/z	Relative Intensity
51.88293	4.3
53.03950	3.8
55.05503	11.0
57.03425	3.7
57.07076	8.2
66.55654	3.9
67.05495	30.2
69.03425	7.7
69.07064	37.2
69.70441	20.9
70.06579	17.7
71.04969	5.9
71.08615	8.9
76.21838	3.5
79.05482	21.9
81.03403	11.2
81.06585	7.2
81.07046	100.0
83.08611	15.7
84.08139	3.4
84.90257	4.3
85.02916	18.9
85.06542	18.2
86.09722	8.0
91.05476	12.2
93.07030	40.5
95.04984	5.0
95.08604	66.3
97.02884	5.7
97.06519	10.9
98.20853	7.6
99.08080	5.6
103.68964	3.3
105.01826	7.1
105.07008	14.4
107.08578	40.0
109.10145	48.4
111.08080	19.2
111.11691	6.0
117.06975	6.4
118.19409	3.7
119.08550	12.5
119.31965	3.2
120.08076	6.0
121.10117	29.5
123.11692	48.6
125.09631	7.5
127.03912	13.4
131.08597	3.9
133.10068	8.8
135.11673	27.6
137.13261	20.0
137.95958	3.8
139.11179	6.3
141.12675	4.3
142.75182	3.9
147.11650	6.9
149.13272	26.0
153.12735	6.0
161.13275	11.9
163.14828	5.5
165.16298	4.9
167.07048	5.7
167.14290	4.3
173.08333	4.3
175.03925	7.2
175.14822	5.0
177.16402	12.6
191.17894	6.8
203.18077	5.4
205.19571	3.8
207.06519	14.0
215.14322	4.2
217.19513	15.3
235.20485	8.2
253.21855	5.1
270.05118	4.4
273.25732	8.1
279.26755	8.0
285.07462	13.1
291.26752	26.1
309.27832	11.0
327.28915	6.9
621.31470	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	592.3683
Annotation	Unknow
Peak:m/z	Relative Intensity
51.07794	6.1
51.12227	5.9
67.05486	8.3
71.53011	9.6
79.05489	10.0
81.07050	30.0
84.03575	6.2
84.29964	5.7
105.07029	10.2
109.06516	10.5
113.19798	6.1
121.10143	6.7
131.08640	8.3
133.10143	6.5
136.29723	5.3
164.87306	6.3
275.20047	28.1
293.21036	9.9
349.23676	84.1
367.24762	100.0
368.25174	8.2
592.37238	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	593.1859
Annotation	Cannabin
Peak:m/z	Relative Intensity
50.77692	0.2
53.03924	0.2
53.62196	0.2
62.38171	0.1
68.99822	0.2
69.60827	0.4
69.61240	0.8
70.06590	0.2
71.04961	0.3
73.10078	0.2
73.59316	0.2
73.71638	0.2
77.52464	0.2
81.07062	0.2
84.08144	0.2
85.02893	0.5
86.09686	0.2
93.07027	0.2
105.03397	0.7
107.79852	0.2
110.17905	0.2
130.23849	0.2
137.02263	0.2
139.88957	0.1
140.01041	0.3
144.01917	0.2
165.01788	0.2
168.00528	2.7
186.01593	2.4
213.75763	0.2
224.04643	0.2
239.06985	0.6
242.05676	0.7
262.87436	0.2
267.06525	0.2
269.04266	0.3
270.05200	78.2
271.05557	1.9
285.07541	100.0
286.07861	2.4
287.05783	0.2
321.09549	0.2
321.13617	0.2
447.12885	0.2
482.35431	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.1861
Annotation	Cannabin
Peak:m/z	Relative Intensity
57.03421	0.2
65.58253	0.1
68.99816	0.2
70.78230	0.1
71.04987	1.3
83.93552	0.1
85.02901	1.4
97.71600	0.1
102.22635	0.1
105.03384	0.4
111.08192	0.1
111.69101	0.1
112.01642	0.1
124.02191	0.1
127.00251	0.1
129.05466	0.3
140.00996	0.2
168.00519	2.1
168.01810	0.2
186.01566	1.7
213.05455	0.1
239.06992	0.4
241.04933	0.2
242.05746	0.6
267.06555	0.3
269.04416	0.4
270.05194	61.1
271.05530	1.3
285.07532	100.0
286.07874	2.2
447.12845	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.4975
Annotation	Unknow
Peak:m/z	Relative Intensity
50.99940	2.3
55.05503	16.0
57.03445	12.6
57.07070	40.1
57.87431	2.4
64.77323	2.4
67.05497	54.1
69.07069	21.2
70.70707	9.2
71.04993	2.5
71.08623	26.5
79.05485	30.2
80.33714	2.5
81.07050	55.9
83.08613	10.9
85.10164	11.7
88.81454	2.5
89.06008	2.8
91.05464	15.0
93.07040	39.7
95.08604	59.1
97.10134	5.2
98.21481	3.2
105.07029	12.3
105.70600	2.8
106.18802	2.4
107.08568	24.3
109.10153	24.6
117.07013	8.7
119.08546	8.5
121.10133	21.1
123.11694	10.6
131.08586	14.2
133.10136	9.0
135.11685	13.3
137.13242	6.4
137.50932	2.8
145.10138	7.1
147.11664	11.5
149.13222	13.0
159.11687	8.3
161.13243	6.5
163.14813	8.2
173.13214	9.7
175.14790	2.5
187.14795	3.3
205.73814	2.6
239.23654	5.5
243.21062	12.1
261.22116	65.9
279.22986	3.6
313.23660	5.2
313.27328	100.0
314.27936	4.1
317.24652	9.9
335.25772	66.4
383.89777	3.1
425.09717	2.8
443.37439	2.7
573.48773	15.2
588.13348	2.6
591.49982	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	591.3369
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	4.0
55.05492	11.5
57.07055	5.2
67.05496	30.2
69.03407	7.4
69.06692	2.7
69.07060	48.7
70.06560	14.3
71.04987	5.5
71.52433	2.6
71.63186	2.7
72.08139	4.2
79.05468	14.4
80.48878	2.4
81.03414	5.5
81.07045	100.0
83.04990	2.7
83.08595	8.1
84.08137	6.7
85.02882	10.4
85.06531	12.9
86.09690	9.8
91.05467	11.6
93.07031	41.5
95.04942	7.8
95.08595	52.4
97.02864	3.5
97.06522	7.2
97.10101	3.8
99.04482	3.3
99.08044	3.5
105.07021	26.2
107.08580	34.9
108.25999	2.5
109.02878	4.4
109.06472	5.6
109.10144	43.0
111.08068	38.1
111.11709	6.2
115.74031	2.8
119.08578	18.4
120.08099	6.9
121.10123	25.6
123.11690	89.5
123.12594	5.0
125.09637	4.9
127.03886	5.9
129.10167	3.7
131.08549	4.9
133.10149	14.5
135.11705	15.8
136.07559	3.5
137.05966	4.9
137.09593	2.7
137.13229	9.8
139.11154	14.9
141.12740	4.2
145.10062	8.7
147.11661	16.8
148.07541	3.8
149.13223	11.9
151.11143	25.0
153.12766	6.4
157.10075	3.2
157.86102	2.8
159.11668	8.3
161.05905	5.2
161.13208	9.6
163.14752	9.2
165.12700	4.4
169.12186	6.1
169.99336	2.8
173.13202	5.3
175.14792	8.6
177.16379	6.0
179.14256	4.2
189.16335	8.5
191.17889	3.0
191.48558	2.7
203.17847	6.6
207.17392	4.1
211.14735	2.8
215.17940	6.4
231.04669	2.8
231.27013	2.6
236.67949	2.5
251.20021	4.6
271.24301	12.8
277.25211	8.4
287.13965	3.5
289.25174	31.6
303.16467	2.6
307.22592	4.5
307.26242	85.2
308.26736	3.2
325.27234	4.2
591.22241	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	591.4975
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	4.9
55.05508	19.8
57.03432	17.5
57.06788	2.9
57.07072	55.9
62.79488	1.3
65.03926	2.7
67.05499	85.9
69.07063	26.6
69.84602	7.0
71.04992	2.2
71.08623	42.2
79.05488	50.7
81.07049	100.0
83.04986	1.5
83.08616	24.6
85.06525	4.2
85.10177	22.7
89.06023	2.7
89.32475	1.3
91.05470	26.9
93.07037	70.9
94.67693	1.7
95.04958	3.2
95.08597	86.5
97.06506	1.8
97.10165	11.7
98.20864	2.8
99.08068	1.8
103.07579	1.5
105.07027	19.7
107.08584	44.5
109.10144	40.5
111.08046	2.0
111.11721	3.3
117.07007	9.5
119.08567	18.2
121.10137	31.6
121.11036	1.7
123.11683	17.0
123.94874	1.5
125.13293	1.8
131.08553	18.3
133.10120	16.0
135.11682	24.8
137.13223	3.5
145.10139	14.0
147.11678	12.8
148.08714	1.5
149.09540	1.5
149.13251	16.9
151.11206	1.7
151.14873	2.4
153.12820	1.7
159.11679	13.0
161.13228	6.6
163.14792	8.8
164.48633	1.3
170.77695	1.5
173.13220	12.9
175.14828	3.3
177.16388	3.1
187.14830	6.7
201.16492	2.5
203.79286	1.2
219.29097	1.8
224.98734	1.3
233.22617	2.4
239.23596	4.9
243.21037	15.5
257.24646	2.1
261.22119	67.0
265.39780	1.4
279.23114	3.3
279.26059	1.3
285.11649	1.3
288.90564	1.6
313.27344	99.2
314.27786	3.5
317.24707	11.7
335.25763	68.0
437.13934	1.5
459.28323	1.5
482.98770	1.5
499.45087	3.6
573.48761	19.7
574.48517	1.8
591.49573	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	591.1077
Annotation	Unknow
Peak:m/z	Relative Intensity
55.30912	0.6
56.62395	0.6
56.96560	20.4
56.96843	1.0
57.03426	1.3
60.60049	0.6
63.82412	0.6
69.03439	3.1
71.52005	1.0
71.95259	1.0
74.92765	0.6
74.97610	1.0
81.03404	1.2
84.95526	1.0
84.96024	15.4
85.02900	6.6
94.93011	6.8
97.02870	2.8
98.97574	42.3
100.99142	1.9
102.97043	3.0
110.97546	5.4
112.22150	0.7
115.00652	1.2
116.98608	29.0
119.00131	1.3
119.01915	1.9
121.01662	1.0
124.99088	8.6
127.03934	2.4
128.98593	13.3
131.00136	1.5
131.01855	1.3
133.01701	1.5
133.03435	0.8
133.06502	1.1
134.99654	16.4
140.00185	1.0
141.73663	0.8
143.00148	34.6
144.98061	2.9
145.01675	1.5
145.02824	2.0
145.04984	2.1
146.99655	9.1
149.01183	1.1
150.91983	0.8
153.00702	2.0
157.01649	1.0
158.01266	1.3
158.99649	13.7
161.01212	55.5
161.05876	1.1
162.99146	7.5
163.02710	1.0
165.00748	1.7
166.01746	1.3
168.98047	2.1
170.99596	7.9
173.02951	2.6
174.03064	1.0
174.99127	0.9
175.02765	2.8
175.04420	0.7
177.00702	21.0
177.05458	3.7
179.02264	11.0
181.00166	2.0
184.02768	1.8
185.01215	8.1
185.02957	1.9
186.99104	9.9
187.02756	1.7
187.04472	1.1
189.00681	12.8
191.02258	1.0
191.03886	1.2
193.00293	1.2
193.03802	1.1
195.01755	3.0
200.02356	1.5
200.04291	1.1
201.00607	4.1
203.02267	16.1
203.03966	1.0
205.00191	31.1
206.88570	2.5
207.01735	2.6
211.04768	1.1
212.02425	1.1
215.02245	1.2
217.03751	1.0
219.01761	5.2
220.99716	1.0
221.03320	1.8
221.05180	1.4
223.01227	26.6
228.01836	1.3
229.00182	2.8
230.98178	3.0
231.01924	0.8
235.01207	1.3
237.02795	4.6
241.02350	2.1
245.03271	2.5
245.05165	2.0
246.02794	1.4
247.01161	4.5
247.04797	4.2
248.89645	15.5
248.99171	17.3
249.07144	1.1
250.05824	0.8
257.03201	0.8
259.01257	1.0
259.04117	0.8
261.02826	3.7
265.02155	0.8
265.05981	0.7
267.00223	30.6
268.00638	0.9
272.00595	0.8
272.06470	2.0
272.99130	4.3
275.04330	1.9
277.02347	1.4
279.00146	0.7
279.03845	2.6
281.06949	0.9
285.01373	2.9
290.01883	1.4
291.00220	36.1
292.00351	1.1
303.00174	5.2
305.05286	1.1
307.03455	1.6
308.90817	1.9
309.01263	23.6
309.04626	1.1
310.05350	0.7
321.01273	30.4
321.04694	1.8
322.01410	0.8
325.04587	0.8
327.02606	1.5
332.02722	3.6
333.01215	0.7
339.02274	4.6
339.08682	0.9
340.09399	1.2
344.02783	1.1
349.04480	2.0
351.02286	4.1
351.11325	0.7
362.03970	1.0
375.02353	2.0
381.07016	0.9
383.06625	0.7
392.94739	0.7
393.03369	22.3
411.04407	100.0
412.04819	2.4
421.12119	1.0
429.06055	3.0
431.41397	0.8
441.08978	1.0
452.07550	1.2
471.08276	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.4822
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	2.8
55.05492	18.4
57.03426	11.5
57.07071	53.0
67.05495	49.9
69.07047	21.4
69.29613	21.7
69.30039	10.3
71.05004	3.4
71.08291	3.7
71.08625	39.5
79.05492	34.0
81.07047	68.8
83.04973	3.4
83.08605	21.4
85.06525	3.1
85.10191	21.5
85.61481	3.2
91.05476	45.8
93.07036	42.2
95.04954	5.3
95.08591	62.3
97.10154	9.3
98.21632	3.1
99.08100	3.7
105.07018	57.0
107.08575	33.4
109.06503	4.5
109.10160	17.2
111.04411	10.1
111.08058	4.0
117.07008	12.3
119.08573	46.4
121.10128	22.8
123.11684	9.2
129.06950	7.0
131.08540	23.9
133.10130	43.8
135.11682	17.6
137.05966	70.1
143.08566	9.7
145.10126	25.2
147.11673	53.7
149.09621	6.2
149.13242	10.0
151.11140	5.8
157.10103	9.2
159.11708	19.2
161.09584	5.3
161.13232	38.7
163.11234	4.8
163.14687	4.2
171.11632	17.7
173.09840	3.9
173.13235	13.1
175.11188	6.4
175.14786	16.8
185.13248	11.8
187.14856	8.4
199.14879	4.7
203.17937	6.7
213.16266	6.2
217.19553	3.5
231.17599	6.9
231.21063	8.5
239.23680	7.8
241.19460	36.3
249.18491	6.4
259.20551	91.3
270.70862	3.2
275.19781	3.5
277.17957	48.0
295.19006	13.8
313.27328	100.0
313.86182	3.2
315.23245	7.0
324.36697	3.9
333.24182	59.1
496.15448	3.2
571.47284	8.5
589.44397	18.3
596.46130	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	589.1913
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	2.6
55.01866	2.7
55.05498	1.3
57.03419	2.3
58.68056	1.0
61.02913	1.6
67.05494	3.1
68.99780	1.6
69.03137	1.0
69.03425	10.9
69.07055	4.6
70.06583	7.7
70.96177	2.4
70.96517	1.3
71.04990	2.2
72.08154	2.5
73.02905	1.8
79.05473	3.0
80.21160	0.9
81.03422	9.0
81.07059	8.9
83.04973	1.1
83.08613	1.5
84.04494	1.9
84.08121	2.2
85.02900	19.1
85.06544	2.0
85.89400	1.0
86.09696	5.6
87.00836	6.3
89.03918	1.2
91.05466	6.4
93.07037	5.9
94.04171	2.1
95.04951	3.7
95.08606	5.0
97.02863	6.3
99.04453	4.5
99.46894	1.0
103.05466	2.2
105.01865	4.8
105.07035	6.5
107.04941	2.2
107.08593	3.8
109.02868	10.3
109.06525	2.5
109.10123	3.5
110.07116	1.3
111.08028	2.4
115.03938	1.4
115.05443	3.7
117.07005	1.7
117.38596	1.0
118.04150	1.2
119.04906	1.6
119.08610	5.3
120.08057	2.3
121.06505	2.1
121.10114	4.1
122.03649	7.6
123.11671	2.4
127.03904	17.1
128.06213	1.8
129.01871	1.3
129.06976	1.8
131.04865	1.8
131.08588	1.3
132.05684	2.1
133.06474	3.9
133.10126	3.3
135.08067	1.2
135.11687	1.2
137.05975	100.0
138.06219	1.9
139.11148	4.7
140.07022	1.1
145.04938	3.4
145.06354	1.4
147.02924	1.2
147.04349	2.1
147.08020	3.3
147.11653	1.5
149.05951	3.4
149.13193	1.3
151.03900	1.3
151.07513	1.8
151.11227	1.4
159.02936	4.8
159.08063	1.9
159.11662	1.9
161.05969	18.7
161.13217	2.1
163.07573	1.6
163.11253	1.1
167.07024	1.8
169.12279	1.0
173.13168	1.5
175.07538	32.6
177.05472	2.4
179.06937	2.3
187.07509	9.3
189.09071	1.7
191.08507	8.0
199.07578	5.7
202.07849	3.1
203.08598	6.6
218.07213	1.9
219.08070	11.2
220.08777	3.0
229.08772	1.0
231.05032	2.9
231.08031	10.4
232.08774	2.3
235.07678	1.4
236.08324	1.5
237.18422	1.1
247.07565	5.1
248.08298	4.1
249.09052	1.2
251.10638	12.9
252.11037	1.1
257.12872	1.8
259.07529	7.8
260.08267	2.4
261.09061	1.9
263.10623	4.5
264.07922	2.3
265.08557	1.7
268.07260	1.1
272.15207	1.9
276.07788	4.5
277.08722	2.5
278.53680	1.0
279.10144	11.5
280.11035	1.6
287.13705	1.1
287.23837	1.5
291.10190	12.4
292.10638	1.8
293.08197	1.7
295.13229	1.7
296.10452	1.1
298.08807	1.1
305.24680	3.6
308.10211	2.8
311.12759	29.3
321.11017	2.0
323.12766	28.0
323.25623	1.8
324.13156	1.3
333.11075	1.3
341.13779	2.6
347.12891	1.3
353.13806	1.3
383.13647	1.2
401.13721	1.2
580.26044	1.4
588.40540	3.9
588.91815	1.4
589.25867	4.6
589.40747	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	588.2664
Annotation	Unknow
Peak:m/z	Relative Intensity
53.48104	0.5
54.64689	0.4
55.05492	0.4
55.64099	0.4
56.05026	2.1
56.25083	0.4
62.53103	0.5
67.05468	0.8
68.67603	0.5
70.06578	0.9
71.52425	1.0
72.08136	0.6
84.04467	0.7
84.08134	99.0
85.02909	1.2
85.04017	5.4
85.08475	1.0
88.03985	1.3
91.05457	3.5
98.02399	0.8
101.07127	0.6
101.10772	2.8
105.03379	0.7
107.04935	2.3
111.09187	1.0
112.07574	0.7
119.04947	3.4
120.21251	0.5
123.04382	0.7
129.10228	100.0
130.08618	1.4
130.10577	0.7
131.25400	0.6
135.06776	2.6
136.07565	23.1
137.05956	0.7
139.08669	0.5
146.06000	7.1
147.11263	2.0
160.07527	1.9
165.38548	0.4
188.07007	2.5
191.08121	1.5
196.10698	0.6
206.08090	2.0
233.09084	1.4
246.14861	1.6
247.14325	1.1
251.10263	6.4
279.09775	1.3
292.16525	5.4
293.14865	2.3
302.15082	0.8
310.17584	15.7
310.21155	0.9
326.03748	0.5
339.01477	0.5
389.18109	1.8
407.19174	1.4
425.20309	1.0
431.95352	0.5
473.23911	6.1
570.25549	1.0
588.17975	0.8
588.26563	13.6
589.26538	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.4143
Annotation	Unknow
Peak:m/z	Relative Intensity
51.67826	6.9
55.01883	7.1
55.05505	31.4
58.82061	6.5
65.03934	9.1
67.05503	39.1
69.07062	17.0
69.97411	11.2
69.97797	17.0
73.63542	5.6
79.05490	36.6
81.03413	11.5
81.07060	45.3
83.04978	15.9
83.08611	27.7
89.06012	7.8
91.05476	37.9
93.07040	29.5
95.04952	30.5
95.08593	25.2
97.21007	6.6
98.21635	5.6
105.07016	41.2
107.04939	14.6
107.08578	24.4
108.68195	6.0
109.10132	12.9
109.43224	6.5
111.08040	11.1
117.07011	13.8
119.08589	28.3
121.06493	7.7
121.10121	18.8
131.08556	11.3
133.06516	6.9
133.10114	16.4
135.11665	10.2
143.08514	8.5
145.10133	23.3
147.11711	18.9
149.09612	24.1
159.11702	7.8
163.11151	28.0
223.13277	14.3
239.17767	8.0
251.84132	6.4
257.18909	15.1
275.20044	100.0
293.21057	55.2
482.50284	6.4
585.56470	20.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	586.27
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	5.3
55.05491	1.1
57.03424	1.1
57.07053	0.9
67.05491	2.3
69.03417	4.0
69.07056	4.5
70.06583	5.3
70.16718	1.2
70.17122	2.2
71.04971	2.2
72.08137	1.7
75.78738	0.6
79.05481	3.0
81.03408	1.4
81.07042	5.0
83.04972	1.1
83.08597	0.9
84.04496	1.3
84.08147	1.3
85.02903	5.8
85.06522	3.6
86.09705	5.3
91.05484	3.8
93.07038	8.2
95.04974	1.7
95.08590	6.6
97.02879	1.9
97.06537	6.9
99.04459	4.2
99.55544	0.7
103.05375	0.8
105.07036	7.3
106.04154	2.1
107.04953	1.2
107.08586	22.4
109.02864	1.8
109.06516	4.0
110.07147	0.8
110.82050	0.8
111.08045	1.1
113.05975	2.0
119.08571	1.7
120.08089	1.0
121.06496	7.2
121.10133	7.6
123.08033	3.8
125.06038	1.0
127.03902	1.8
127.07520	0.9
128.60738	0.8
129.10158	0.9
133.06476	0.6
135.08022	0.7
135.11673	4.7
137.05988	1.0
138.12868	0.7
139.07591	0.7
139.11096	0.9
145.04941	1.9
145.10144	5.1
149.05916	4.1
149.09622	3.5
151.07527	4.7
153.09097	1.3
153.12764	1.0
157.08592	1.0
161.05977	1.1
163.11165	16.6
167.10669	8.6
167.11972	1.0
169.08589	55.6
170.08977	0.8
173.09633	1.5
177.05435	2.3
181.08652	1.8
181.12213	9.8
185.11711	3.0
185.58932	0.7
191.06967	1.4
191.10670	7.3
193.08427	1.2
204.11938	0.8
209.08093	8.1
209.11690	7.0
211.96423	0.7
227.12764	100.0
228.13223	2.5
232.66194	0.7
245.13829	7.8
308.64111	0.8
327.20215	1.2
353.16019	1.5
371.16992	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.288
Annotation	Unknow
Peak:m/z	Relative Intensity
62.04912	0.4
67.05519	0.5
69.03417	1.0
69.07063	0.4
70.06578	1.9
70.81440	0.6
70.81775	1.0
72.08147	1.5
80.96143	0.5
81.07042	0.9
83.01093	0.7
83.04969	0.5
84.08115	0.8
85.02895	0.5
86.09702	0.9
93.07023	0.9
95.08635	0.5
97.02898	0.7
105.07024	0.8
107.08569	0.8
109.02853	0.7
109.10160	0.9
120.08116	0.9
121.10116	0.5
123.11697	0.5
129.10297	0.5
156.03957	0.6
167.07190	0.6
185.04242	0.8
201.03703	0.9
203.05284	1.5
235.32117	0.5
259.07947	2.1
283.14536	0.7
301.21616	0.5
319.22479	0.9
331.10101	1.9
336.29956	0.5
337.84592	0.5
349.19009	0.5
387.16367	1.0
423.23486	1.6
457.20206	0.7
469.20267	0.6
471.22107	1.4
567.26184	0.5
585.28772	100.0
586.29279	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	585.4142
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	3.4
55.01860	10.3
55.05506	18.1
63.93174	2.6
65.03911	3.2
67.05499	32.0
69.07047	9.9
71.08617	2.2
71.53607	3.4
71.53979	3.5
78.02234	2.2
79.05489	32.0
81.03407	4.8
81.07050	100.0
81.07533	5.0
83.08624	13.6
91.05469	23.4
93.07032	26.2
95.04951	14.3
95.08594	24.4
97.06526	4.2
97.10141	2.8
105.07016	26.5
106.29170	2.7
107.04937	13.6
107.08583	20.0
109.06503	38.3
109.10140	7.0
111.08077	4.1
115.21930	2.6
117.06997	7.2
119.08558	27.6
120.08876	3.1
121.06489	6.7
121.10110	14.7
123.08060	4.4
123.11692	6.7
131.08534	12.6
133.10123	16.8
135.08026	4.5
135.11710	8.0
135.37418	2.4
137.09554	2.4
143.08566	3.8
145.06505	2.7
145.10130	12.6
147.07957	3.2
147.11697	15.3
147.12674	2.5
149.09612	9.2
149.13228	10.6
151.11139	2.8
151.35844	3.2
157.10124	5.8
159.11649	9.5
160.23657	2.5
161.13246	3.4
163.11185	8.3
163.14787	2.6
165.12776	4.6
175.11237	4.1
175.14621	2.9
177.12730	3.8
187.14752	3.8
193.12181	4.2
219.44804	2.8
229.19487	5.7
247.20544	8.4
257.18967	8.3
275.20053	92.3
276.20218	3.7
279.96991	2.7
293.21085	15.7
311.29694	3.2
312.29962	3.2
380.82370	2.8
420.99576	2.9
464.76648	2.5
465.07175	3.0
567.40472	3.1
585.41510	6.5
585.56482	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	585.2675
Annotation	kirkinine D
Peak:m/z	Relative Intensity
52.69664	1.2
53.03922	1.4
54.18535	1.3
55.01867	1.2
56.96569	6.4
69.03416	1.9
69.07052	2.3
71.53343	1.9
75.09187	1.4
81.07047	2.1
83.28639	1.1
85.02876	2.7
87.00862	1.3
93.07019	1.7
97.06559	1.9
98.97598	2.3
104.13557	1.2
105.07027	2.8
107.08553	1.4
109.02911	2.4
109.10157	2.6
119.08556	2.3
121.10164	2.5
123.11684	1.8
125.05914	1.5
127.03877	2.4
131.00154	4.5
133.10199	2.9
139.11205	3.0
145.10095	2.0
147.11717	2.2
149.01210	8.8
157.10172	2.0
159.11719	2.1
167.02318	3.3
173.13188	1.5
175.11241	2.1
185.09883	1.3
233.98866	1.2
259.12192	2.5
293.05396	4.1
301.21643	4.3
311.06384	3.2
319.22723	9.8
331.15869	3.7
349.16815	12.5
367.17868	7.6
372.18219	1.6
385.19284	1.9
391.17596	1.6
516.18762	3.3
567.24609	1.7
585.26636	100.0
586.27020	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.4139
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	4.6
55.05288	1.2
55.05508	11.6
57.06828	1.1
57.07068	10.1
59.04996	3.3
63.18519	1.7
63.89291	1.4
65.03918	4.0
67.05497	23.9
69.03441	6.8
69.07056	16.4
70.12246	3.3
70.12639	3.1
79.05022	1.8
79.05486	28.4
81.07048	31.7
83.04968	6.0
83.08604	8.4
85.06522	5.5
87.04456	1.5
91.05472	41.4
91.06021	2.8
93.07040	50.5
95.04971	8.6
95.08596	31.3
97.06529	4.5
103.05447	3.8
105.07025	64.8
107.08585	44.3
109.06498	9.1
109.10159	21.0
111.08021	3.6
115.05459	4.2
116.06232	3.7
117.07021	14.7
119.08572	75.9
121.06505	4.9
121.10136	45.7
123.08063	15.5
123.11677	5.0
123.26863	1.3
125.05978	2.7
128.06235	12.0
129.07007	18.6
130.07787	7.0
131.08557	29.6
133.06497	3.8
133.10110	38.2
135.08058	9.9
135.11688	10.9
137.09586	12.2
139.11197	2.7
141.06963	9.1
142.07794	23.2
143.08543	39.9
144.09338	6.2
145.10110	52.4
147.08061	17.8
147.11664	15.9
149.09615	7.3
149.13271	2.6
151.07539	17.6
151.11147	2.8
153.07005	4.6
154.07832	2.9
155.08551	15.5
155.10654	1.4
156.09344	16.1
157.10124	56.3
158.10910	5.8
159.08069	3.8
159.11687	20.7
161.09613	6.5
161.13235	8.0
163.11174	7.1
165.07002	6.5
165.09109	30.4
166.07747	2.7
167.08519	11.6
167.10669	9.5
168.09325	10.1
169.10120	31.5
170.10889	8.3
171.11681	30.0
172.12579	2.2
173.09641	3.8
173.13249	26.2
175.11208	3.8
175.14842	7.6
177.12750	1.9
178.07698	1.8
179.08533	15.7
180.09351	8.4
181.07338	1.4
181.10107	16.2
181.12242	4.0
182.10876	7.3
183.11671	27.8
184.12485	5.8
185.09608	3.3
185.13255	21.3
186.13971	1.5
187.11201	4.6
187.14830	6.6
189.12727	8.2
191.08574	3.5
191.14261	10.3
192.09323	5.4
193.10146	13.8
193.11732	2.1
194.10890	11.5
195.11668	24.4
196.12477	5.5
197.09700	2.0
197.13240	23.0
198.13937	1.8
199.11253	3.0
199.14807	13.7
201.12726	1.9
203.14307	16.1
205.10141	3.4
206.10930	6.8
207.11722	18.5
207.13817	8.1
208.12450	7.0
209.13264	24.6
209.15215	1.5
210.14023	2.5
211.11214	1.5
211.14790	13.2
213.12656	3.3
213.16350	4.2
215.14316	2.2
217.10184	4.4
217.15843	15.3
219.11644	8.1
220.12547	5.6
221.13248	16.0
221.15303	74.7
222.14008	5.8
223.14804	14.8
224.15552	2.2
225.12692	2.7
225.16333	8.4
226.17410	1.5
227.14348	3.7
230.10965	2.1
231.11662	5.6
231.17455	3.7
232.12495	5.1
233.13246	10.8
233.15390	4.5
234.14143	3.6
235.14841	13.3
236.15501	3.1
237.12695	3.7
237.16423	7.7
239.14212	1.8
239.17960	3.7
243.11774	3.6
243.17549	1.9
244.12468	2.7
245.13313	10.7
246.14063	4.1
247.14844	8.6
247.17026	2.3
248.15646	4.6
249.16327	10.1
250.17159	1.6
251.17934	5.6
253.19716	1.8
255.17532	2.7
257.13269	3.0
257.19016	7.9
258.14127	2.5
259.14838	6.8
260.15497	4.0
261.16357	11.2
263.17941	7.9
265.19470	8.0
269.19040	4.1
271.17377	1.8
271.20615	4.0
272.15680	3.5
273.16394	4.9
274.17200	2.4
275.17792	11.6
276.18851	2.2
277.19531	5.1
279.17590	1.5
279.21075	3.0
281.19037	2.4
283.20453	14.7
285.16324	2.9
286.19595	2.2
287.20148	4.6
289.19519	4.1
291.21008	3.2
293.19016	3.1
295.20624	6.3
297.22089	4.7
299.20441	2.1
300.21048	2.8
301.19373	2.6
303.21082	3.0
307.20477	3.4
309.22360	2.2
312.21143	1.6
313.19254	2.4
315.21118	2.0
317.22729	1.7
327.21094	3.1
331.24133	7.1
335.23825	2.3
343.24478	2.3
349.25211	7.6
352.24014	1.8
359.23752	2.0
361.25409	2.5
365.24811	4.1
366.25702	1.9
375.26797	6.2
403.30075	8.4
473.33688	2.0
491.34894	4.4
503.35110	4.6
509.34125	4.1
527.36029	1.8
547.39716	3.6
565.40210	24.7
583.41418	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.4145
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	21.7
57.07067	14.5
59.79456	5.3
67.05496	30.5
69.03428	8.3
69.07053	24.5
69.87771	33.7
79.05493	28.5
81.07056	40.6
83.04987	15.7
83.08625	13.5
84.81619	6.3
85.06524	6.8
91.05479	47.3
93.07034	56.2
93.38241	5.7
95.04948	16.0
95.08598	46.5
97.10149	6.3
97.87062	6.8
98.21397	9.5
103.05461	6.0
105.07034	94.6
107.08607	43.2
107.09270	7.8
109.06496	15.1
109.10172	31.5
111.08127	10.0
116.06146	8.4
117.06996	19.9
119.08573	100.0
121.10136	55.1
123.08056	13.9
123.11687	11.0
129.06984	23.6
130.07793	6.2
131.08560	41.2
133.10091	41.2
135.08070	14.1
135.11691	18.5
137.09659	10.7
141.06975	8.7
142.07800	23.2
143.08537	42.1
145.10104	63.1
147.08070	11.2
147.11690	24.8
149.09610	10.8
151.07581	6.3
155.08565	18.2
156.09354	17.2
157.10127	63.5
158.10898	7.7
159.11670	27.3
161.09645	9.8
161.13322	9.7
163.11201	10.0
165.07021	9.2
165.09134	19.7
167.08606	18.6
167.10661	16.2
168.09369	14.0
169.10114	43.1
170.10849	6.8
171.11624	31.7
173.13219	29.2
175.14836	18.3
179.08572	19.0
181.10110	19.8
182.10869	10.3
183.11716	34.0
184.12433	8.8
185.13310	22.6
187.14790	8.8
189.12660	11.7
191.14394	9.5
192.09361	9.8
193.10103	23.1
194.10843	11.4
195.11728	22.1
197.13309	25.2
199.08952	5.7
199.10997	6.6
199.14787	16.5
203.14355	13.6
205.10190	7.6
207.11749	24.1
207.13797	6.7
208.12457	10.6
209.13260	30.8
211.14735	14.8
212.66270	5.7
217.15833	16.5
219.11642	9.3
220.12584	10.1
221.13234	22.5
221.15361	46.8
223.14824	16.2
232.12512	6.5
233.13158	13.7
235.14812	18.6
237.16397	11.6
244.12437	6.0
245.13315	11.3
247.14816	8.7
249.16331	9.5
251.18040	8.9
253.19333	6.7
257.19031	11.3
259.15088	7.9
261.16483	13.1
265.19550	10.7
275.17920	13.2
277.19443	8.0
283.20538	14.6
331.23999	6.1
349.25162	8.9
375.26749	6.3
565.40094	19.0
583.41138	81.4
584.41742	7.3
613.45831	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	583.4142
Annotation	Unknow
Peak:m/z	Relative Intensity
52.33647	4.1
53.03944	6.6
55.05501	12.4
56.40073	3.5
57.07060	9.6
59.04991	3.8
67.05501	22.8
69.03422	8.3
69.07050	12.0
70.78852	8.3
70.79185	7.1
79.05482	25.3
79.81190	3.5
81.07053	32.0
83.04976	8.3
83.08620	10.1
85.06544	4.9
87.60854	3.6
91.05481	44.9
93.07028	50.7
95.04937	12.5
95.08599	36.9
97.06519	6.2
103.05459	4.1
105.07022	60.5
107.08585	49.6
109.06496	9.2
109.10154	26.1
115.05438	6.1
117.07005	10.5
119.07804	6.9
119.08578	71.6
121.06429	7.0
121.10126	53.8
123.08054	21.3
123.11703	8.6
125.06043	4.2
125.09548	3.8
128.06227	9.7
129.06981	16.1
130.07802	9.2
131.08562	38.9
133.10115	36.0
135.08032	10.4
135.11687	15.2
137.09637	12.6
141.06998	9.9
142.07761	20.8
143.08517	30.5
144.09268	4.3
145.10110	45.6
147.08046	13.5
147.11647	20.1
149.09631	6.1
151.07538	10.3
153.07022	3.8
155.08507	17.4
156.09319	17.3
157.10129	51.5
158.10889	7.4
159.11691	27.9
161.09601	7.9
161.13261	10.5
163.11145	5.6
165.06984	7.6
165.09088	26.2
167.08566	10.4
167.10646	18.4
168.09358	7.1
169.10094	26.3
170.10893	4.0
171.11693	37.1
173.09557	4.9
173.13261	27.7
175.11211	6.2
175.14844	5.7
178.05849	3.5
179.08553	16.4
181.10149	17.9
181.12253	6.8
182.10933	8.3
183.11720	30.8
184.12415	6.7
185.13254	23.0
187.11166	4.0
187.14809	7.3
191.14268	6.2
192.09369	6.3
193.10089	11.4
194.10898	13.4
195.11656	18.6
196.12430	6.5
197.13249	23.0
199.14781	12.6
200.28633	3.8
203.14301	11.1
205.10168	5.6
206.10927	9.3
207.11710	17.7
207.13634	6.6
209.13292	27.8
209.15005	6.3
211.14850	13.6
215.14302	4.9
217.15862	7.7
219.11674	7.9
220.12631	4.3
221.13211	20.5
221.15388	44.2
223.14821	14.2
225.16444	4.1
229.82011	4.2
231.11714	4.9
233.13222	13.2
233.15288	7.7
235.14784	10.0
237.16415	8.4
245.13345	8.0
247.14783	8.9
248.15620	4.3
249.16376	7.7
257.19034	5.0
259.14880	6.3
261.16306	9.9
263.17966	4.9
265.19473	6.8
269.19144	6.5
273.02448	4.8
275.17984	11.4
277.19467	4.9
279.59311	3.9
283.20648	8.2
289.19696	4.4
295.20523	5.2
349.25119	4.7
403.30011	8.6
547.38885	6.8
565.40338	23.2
583.41486	100.0
584.41766	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	583.4142
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	5.8
54.43840	2.6
55.05499	17.1
57.07061	12.5
59.04982	5.6
65.03931	4.6
67.05505	20.9
69.03422	7.0
69.07062	20.2
69.50933	23.8
79.05489	33.7
81.07048	39.0
83.04976	7.4
83.08591	12.6
85.06525	5.7
91.05472	59.3
93.07036	61.4
95.04970	15.2
95.08598	37.4
97.06525	9.0
103.05441	8.4
105.07022	83.8
107.08578	47.0
109.06494	11.8
109.10143	21.1
111.08021	3.8
115.05441	8.2
116.06213	3.1
117.07000	20.1
119.08568	89.0
121.06497	6.2
121.10134	48.7
123.08082	22.0
123.11696	6.7
125.09611	3.5
128.06174	13.7
129.06992	26.0
130.07767	8.6
131.08545	38.3
133.06490	3.2
133.10115	45.2
135.08067	10.2
135.11697	12.6
137.09593	12.9
141.06985	11.5
142.07765	28.7
143.08549	46.6
144.09325	8.5
145.06528	3.1
145.10107	59.6
147.08022	18.2
147.11662	20.2
147.22655	3.2
149.09647	5.5
151.07544	14.9
153.07016	5.6
154.07800	3.5
155.08553	23.3
156.09297	21.0
157.10112	53.2
157.11327	4.3
158.10916	10.6
159.11699	29.6
161.09674	4.7
161.13272	8.3
163.11203	8.5
165.06989	6.8
165.09090	40.6
167.08563	10.3
167.10716	9.4
168.09323	10.6
169.10121	34.5
170.10905	11.2
171.11653	29.1
173.09592	6.5
173.13275	25.2
175.14832	7.7
178.07761	4.0
179.08556	16.9
180.09344	7.5
181.10100	18.6
181.12222	6.7
182.10933	10.3
183.11694	34.0
184.12451	5.8
185.13243	19.1
187.11163	3.4
187.14784	5.0
189.12744	4.9
191.14296	11.6
192.09343	6.2
193.10117	20.5
194.10867	14.5
195.11722	25.1
196.12411	4.8
197.13200	20.8
198.84946	2.9
199.14809	16.2
203.14301	14.3
205.10057	4.9
206.10789	7.0
207.11713	20.8
207.13786	8.2
208.12520	12.0
209.13255	30.1
209.15204	5.4
210.13930	3.0
211.11177	4.0
211.14832	9.1
213.16292	3.6
217.10184	5.2
217.15909	10.1
218.10918	4.1
219.11714	11.5
220.12529	6.3
221.13246	19.4
221.15387	61.0
222.13942	5.1
223.14778	20.0
225.16391	4.8
227.14322	4.2
231.11630	7.1
232.12521	5.4
233.13283	11.9
233.15390	5.9
235.14795	11.6
237.16393	8.0
239.17984	5.0
244.12497	4.3
245.13239	8.1
246.13925	4.9
247.14774	8.4
247.16994	4.6
248.15599	5.5
249.16431	8.0
251.17914	9.6
257.19000	8.2
258.13965	4.4
259.14917	7.7
260.15576	9.1
261.16473	10.6
263.17987	8.2
265.19379	7.1
269.19064	4.1
271.20444	3.3
273.16299	5.2
275.17844	12.1
277.19550	5.3
283.14975	3.4
283.20523	16.0
289.19382	5.1
293.18954	3.7
297.22000	4.6
329.22415	3.9
329.65985	3.0
331.24207	7.0
349.25134	8.6
361.25290	4.9
375.26932	8.4
379.26328	3.1
388.54694	3.0
403.29968	7.0
475.57419	3.2
491.35022	4.2
503.34705	6.7
547.39185	6.0
565.40320	23.6
583.41364	100.0
583.50586	5.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.4142
Annotation	Diadinochrome
Peak:m/z	Relative Intensity
51.02407	1.5
53.03944	2.4
53.46409	1.3
53.94244	1.3
55.05512	7.5
57.07075	3.7
59.05003	1.7
63.51056	1.3
67.05495	13.9
69.03419	5.4
69.07057	6.4
70.70844	3.1
71.32148	1.3
79.05492	12.6
81.07051	18.7
83.03149	1.5
83.04990	1.6
83.08601	3.8
85.06535	4.0
88.47121	1.5
91.05474	20.1
93.07031	27.4
95.04958	5.0
95.08595	25.5
97.06505	2.0
105.04533	1.3
105.07022	35.8
105.07693	2.4
107.07027	1.4
107.08571	18.2
109.06525	6.1
109.10121	10.1
111.08068	2.7
117.07050	6.0
119.08571	30.3
119.09372	2.4
121.06506	2.7
121.10133	24.0
123.08062	18.9
123.11732	2.9
128.06229	2.3
128.92946	1.4
129.07042	5.8
130.07726	2.1
131.08551	13.1
133.06587	1.5
133.10127	16.6
135.08043	7.6
135.11703	3.5
137.09608	8.9
141.06970	3.3
142.07744	10.1
143.08543	12.7
144.09337	2.8
145.10121	21.0
146.10956	1.5
147.08028	15.1
147.11697	5.8
149.09660	4.8
151.07535	21.5
153.07002	2.2
153.09071	2.4
155.08595	5.6
156.09351	6.3
157.10120	25.6
158.10846	2.5
159.11653	12.0
161.09616	4.0
161.13292	5.0
163.11217	3.7
165.07045	2.4
165.09097	32.0
166.07747	1.4
167.08601	4.0
168.09387	2.9
169.10107	9.8
170.10915	3.4
171.11685	16.1
172.12361	1.8
173.09627	2.3
173.13257	9.3
175.11195	3.2
175.14754	2.1
179.08615	2.6
180.09383	3.4
181.10098	3.8
182.10924	3.8
183.11691	12.3
185.13257	11.6
187.14804	2.7
189.12733	5.6
191.14330	2.3
192.09297	1.8
193.10120	5.6
194.10904	3.2
195.11690	6.9
196.12392	3.1
197.13254	10.7
199.14877	3.8
203.14287	17.5
205.10294	2.0
206.10851	2.6
207.11739	6.3
207.13828	9.0
208.12558	3.9
209.13225	13.2
210.14079	2.1
211.14827	8.0
218.10724	1.9
219.11755	4.1
219.17432	4.5
220.12505	3.7
221.13249	8.0
221.15314	56.9
223.14935	6.4
224.15492	1.8
225.16319	2.4
227.14177	1.9
231.17419	2.9
232.12689	2.1
233.13310	4.1
234.14091	1.8
235.14874	6.5
237.16425	2.4
245.13289	2.0
247.14877	2.5
248.15372	2.1
249.16422	3.8
249.32495	1.4
251.17883	2.8
253.19667	1.5
257.18982	2.5
259.14679	1.7
261.16385	3.3
263.17908	2.9
265.19553	3.2
265.90732	1.5
269.19077	2.8
273.18649	2.2
275.17831	2.9
277.19531	3.5
279.20996	2.1
281.18933	2.0
283.20596	5.6
287.20230	2.6
289.19452	2.3
295.20590	4.0
297.22278	5.3
315.20868	1.8
333.22156	1.9
347.24191	2.3
349.25198	3.7
352.23990	4.8
357.25806	2.2
365.24619	3.4
375.26865	6.0
403.29904	12.2
503.35071	5.9
509.34473	3.0
547.39203	3.5
565.40259	30.8
565.48956	2.4
565.78809	1.6
583.41467	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.4144
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03921	2.2
55.05501	5.2
55.15226	2.0
57.07067	5.9
63.15182	1.9
67.05504	13.8
69.03417	4.1
69.07064	6.2
69.10980	2.2
70.02818	12.5
74.75341	2.0
79.05486	8.1
81.07055	17.4
83.08590	4.8
85.06555	2.4
91.05470	13.7
93.07045	29.6
95.04980	6.4
95.08605	24.8
97.06551	3.0
103.05484	2.5
105.07011	29.2
107.08595	14.0
109.06513	5.8
109.10144	9.3
117.07053	4.6
119.08561	27.8
121.10128	18.8
123.08071	16.8
123.11689	3.1
128.06282	3.8
129.06999	6.9
131.08559	9.6
133.06609	2.1
133.10109	14.1
135.08046	10.0
135.11700	4.6
137.09613	8.9
142.07784	9.4
143.08527	13.2
144.09306	2.9
145.10118	18.5
147.08072	16.2
147.11685	5.3
149.09669	4.2
151.07533	17.8
155.08511	6.2
156.09357	7.6
157.10121	25.7
159.08044	3.2
159.11731	10.6
161.09550	3.7
161.13286	7.0
165.09119	28.5
167.08577	3.8
168.09378	3.2
169.10129	10.8
170.10957	5.4
171.11679	14.8
173.13272	9.5
177.08955	2.0
179.08485	3.1
181.10133	6.4
182.10837	2.9
183.11716	11.0
183.71669	1.7
185.13248	11.4
187.14877	4.1
189.12738	3.4
191.14215	2.6
192.09254	2.3
193.10118	6.8
194.10838	3.8
195.11720	6.2
196.12416	3.3
196.20453	2.0
197.13269	10.6
199.14857	3.2
203.14349	12.6
205.10135	2.8
207.11699	6.7
207.13866	8.0
208.12505	2.7
209.13243	11.6
211.14796	7.2
212.24231	2.5
213.16490	3.1
219.11620	5.1
220.39661	2.2
221.13287	6.3
221.15329	53.1
223.14853	7.1
224.15651	3.0
225.16357	2.5
231.17282	3.1
233.13249	4.8
235.14879	5.8
235.77396	1.9
236.15692	2.5
237.16318	2.8
239.18106	2.5
247.14833	4.5
248.15536	4.5
249.16400	3.3
253.19507	3.1
259.34955	2.1
261.16226	2.5
263.18088	3.2
265.19592	2.4
275.17935	3.6
279.21222	2.5
283.20627	4.4
287.20270	4.7
291.21088	3.2
295.20538	4.4
297.21896	4.0
321.55505	2.1
335.23822	2.5
349.25214	3.9
357.26166	3.5
375.26917	7.1
403.30042	12.9
503.35291	4.8
509.34067	2.7
547.39130	2.9
556.52063	2.3
565.40363	31.0
583.41357	100.0
585.31293	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	582.2754
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	3.1
55.01859	1.5
55.05490	1.2
57.03428	1.5
57.07077	2.1
58.19512	0.4
61.02911	1.5
67.05493	4.3
68.99758	0.4
69.03423	8.9
69.07067	2.4
69.07368	0.4
69.33355	4.4
70.06586	1.4
71.04977	1.2
73.02903	1.2
79.05486	7.7
81.03408	5.9
81.07046	100.0
82.07400	0.7
85.02898	25.5
86.09689	0.5
87.00822	9.2
91.03925	0.7
91.05453	1.1
93.07021	1.3
94.10929	0.4
95.04990	0.8
95.08596	16.5
97.02876	10.7
99.04445	3.4
100.11257	1.4
101.02386	0.4
105.01859	21.3
107.08581	0.7
107.28462	0.4
109.02860	9.5
109.06496	0.5
109.10148	1.6
111.04461	0.7
115.03926	0.5
120.08112	0.6
121.06513	0.7
123.02915	0.4
127.03901	27.1
129.01842	0.8
129.10236	0.5
137.05995	0.9
137.13243	20.8
144.46562	0.5
145.04953	11.1
145.53027	0.4
147.02850	0.9
156.13800	1.0
159.02888	3.5
162.21506	0.4
165.00134	0.4
167.07111	0.8
177.04080	0.6
182.15468	0.6
189.03934	0.8
189.76646	0.5
191.29446	0.5
210.14864	0.6
213.03938	3.2
223.16985	0.5
231.04962	9.6
249.06058	5.5
253.07042	0.8
271.08142	0.7
339.88211	0.5
357.08115	0.7
375.09424	0.8
411.90717	0.5
582.46155	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.1443
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02374	0.8
53.03941	4.6
55.01874	0.6
55.05498	0.7
55.26639	0.3
56.05040	0.4
57.03425	0.7
65.03940	0.4
67.05484	1.0
69.03423	5.6
69.07063	0.9
70.06596	2.5
70.77391	1.0
71.04989	0.7
72.08141	0.7
77.03927	0.7
79.05489	3.5
81.03410	15.2
81.07047	2.1
83.08587	0.4
84.04488	0.5
84.08127	0.7
85.02900	4.3
85.06522	0.5
86.09692	1.7
87.04469	0.6
91.05473	0.7
92.02624	0.9
93.03381	1.0
93.07060	0.9
95.04963	6.4
95.08593	0.9
97.02892	9.2
97.03523	0.6
99.04449	1.4
105.03382	77.3
105.07000	0.9
106.03733	0.4
107.04983	0.5
107.08562	0.5
109.02872	7.4
109.10159	1.4
110.07150	0.5
110.69370	0.3
119.04966	0.4
119.08582	0.8
120.08094	0.6
121.02859	1.1
121.06491	0.4
121.10121	0.9
123.04416	5.3
123.08047	0.4
123.11695	0.8
123.48996	0.4
127.03905	6.3
133.02957	0.4
133.10138	0.4
135.04414	0.4
135.11674	0.5
136.07565	0.5
137.05951	1.5
139.03885	1.2
141.06789	0.4
145.04889	1.9
147.04373	0.4
149.13196	0.4
151.03874	1.2
151.07529	0.5
153.01814	7.5
161.05965	0.5
165.01782	0.5
167.07109	2.2
177.05479	0.8
181.04984	0.5
201.05400	0.9
217.04912	0.5
218.05630	0.7
228.04184	1.3
229.04970	3.7
245.04439	1.3
246.05258	1.4
249.07568	14.8
257.04385	2.0
263.23438	0.4
267.08679	1.1
273.03922	1.4
274.04712	4.2
281.24646	0.7
284.03192	0.8
285.03922	4.1
301.03900	0.4
302.04181	12.4
317.06528	100.0
318.06870	1.4
359.07578	0.9
534.09436	0.4
583.27692	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.3984
Annotation	Unknow
Peak:m/z	Relative Intensity
52.75114	2.9
55.01861	5.2
55.05505	30.5
60.51838	2.7
67.05489	16.4
69.03418	10.5
69.07056	7.2
71.04993	4.0
71.26260	4.8
71.26577	3.8
72.13027	2.9
79.05479	14.4
81.03393	2.9
81.07040	17.1
83.04984	11.9
83.08614	27.7
91.05467	28.4
93.07038	28.2
93.86853	3.6
95.04954	10.8
95.08602	37.3
97.06537	31.4
105.07014	40.0
107.08582	36.5
109.06546	6.5
109.10142	18.7
111.08073	8.5
113.08961	2.8
113.09626	18.0
117.07022	12.6
119.08572	36.7
121.06474	6.4
121.10105	22.8
123.08054	13.1
123.11694	3.6
125.09573	6.6
128.06210	7.9
129.06981	24.4
130.07806	5.9
131.08572	17.8
133.10104	21.1
135.11684	7.0
137.09599	5.8
139.11179	14.2
141.06970	8.2
142.07782	19.6
143.08559	31.9
144.09335	19.0
145.06422	4.1
145.10123	37.1
147.11684	5.8
152.59529	3.2
153.06976	6.8
153.12735	7.0
155.08572	15.5
155.10684	12.5
156.09348	11.8
157.10117	49.9
159.08096	4.0
159.11671	15.1
161.09573	5.3
161.13252	3.9
163.11208	4.5
165.06995	10.4
166.07809	5.2
167.08607	10.4
168.09352	5.9
169.10162	25.1
170.10902	6.2
171.11673	30.4
173.09642	8.1
173.13239	12.7
175.11194	4.0
179.08565	12.3
179.14232	5.9
180.09305	7.3
181.10149	16.9
181.12180	17.2
182.10896	8.9
183.11694	17.4
185.09630	6.6
185.13277	12.4
189.12733	4.1
193.10138	13.8
194.10886	5.2
194.17717	3.3
195.11696	31.5
195.13547	5.8
196.12512	5.5
197.13277	21.3
199.14818	7.2
206.10818	7.6
207.11714	23.9
208.12527	6.9
209.13240	31.2
211.14842	14.3
217.10133	3.9
218.10800	4.3
219.11839	7.8
220.12398	7.1
221.13225	14.7
221.15376	13.6
222.14011	5.6
223.14900	14.1
225.16336	8.0
230.11092	3.9
231.11612	3.6
232.12563	5.0
233.13240	8.7
234.13953	4.2
235.14761	15.3
236.15558	5.7
237.16348	9.5
243.11592	5.0
245.13181	5.9
247.14717	6.5
247.16959	13.5
249.16344	6.9
251.17921	20.3
253.15746	4.5
259.14767	6.8
261.16220	7.8
265.19492	4.7
269.18915	18.4
273.16089	4.5
273.18674	4.7
275.17819	4.5
277.19354	5.8
281.19016	5.1
285.16055	6.3
287.17712	4.9
289.19394	5.6
293.18729	3.6
299.20053	11.6
307.20602	4.0
311.20114	7.5
312.20792	11.7
335.23572	6.3
339.21140	5.1
373.25339	4.1
395.27005	9.0
412.15479	3.7
413.28412	11.9
563.38763	19.8
581.39819	100.0
582.40149	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	579.2928
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	3.1
55.05507	13.7
57.03431	9.9
57.07059	5.5
67.05498	51.0
69.07059	14.9
70.66240	5.3
71.04968	2.1
71.08598	2.0
72.54920	1.5
74.75082	1.7
79.05486	15.9
81.03403	14.0
81.06593	3.0
81.07051	52.0
83.08604	9.7
85.02935	1.6
91.05437	8.9
93.07038	15.6
95.04967	1.4
95.08600	48.9
97.06508	3.2
97.10162	3.3
98.98455	100.0
105.07013	6.4
107.08589	8.0
109.02850	7.7
109.10140	20.9
111.08060	2.5
111.11650	1.7
116.99471	4.0
119.08571	8.6
121.10137	9.6
123.11683	9.5
133.10124	8.8
135.11674	6.8
137.13216	4.8
147.11653	3.6
149.02362	1.8
149.13252	4.6
151.14833	4.8
155.01030	93.0
161.13239	3.4
163.14792	5.5
165.16425	2.2
173.02086	1.6
175.14819	4.7
179.76505	1.3
189.16470	1.6
243.02516	2.1
245.22662	15.2
263.23657	29.7
296.25363	1.6
317.06335	12.8
331.64230	1.9
337.27325	67.4
338.27914	1.8
353.26428	1.8
407.28012	2.6
425.28827	4.3
452.37381	1.6
561.28125	3.5
579.10718	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	580.3322
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	13.3
55.05496	38.3
57.03418	14.9
61.02908	10.4
62.95288	8.8
67.05505	51.6
69.03410	13.8
69.07073	42.7
70.06602	18.8
71.04987	12.3
71.30412	18.9
79.05496	54.3
81.03399	21.4
81.07045	84.9
83.04977	15.2
83.08620	12.2
84.08144	15.8
85.02889	28.0
86.09684	31.2
91.05479	36.6
93.07047	57.7
95.04962	20.1
95.08605	29.5
97.02885	13.4
97.06532	24.5
97.10152	18.6
105.07009	36.6
107.04951	22.7
107.08587	45.6
109.06500	12.7
109.10142	21.4
111.04467	14.4
117.06984	11.6
119.08573	34.1
120.08117	17.7
121.10142	21.5
121.66499	8.3
123.08057	21.6
125.05988	7.9
125.09639	22.6
131.08530	14.3
133.10153	15.4
135.08041	16.5
135.11694	16.0
137.09616	10.2
145.10106	23.0
145.50296	9.8
147.11707	15.4
149.09586	14.9
149.13210	15.0
157.10178	15.4
159.11615	12.2
163.11176	20.0
167.06995	22.1
171.11707	9.0
173.09599	8.7
175.11133	10.2
181.12163	11.3
189.11238	15.8
269.17572	13.9
273.18491	33.9
291.19580	48.5
291.32166	9.9
311.17899	8.6
347.22247	16.3
365.23450	50.9
383.24329	100.0
388.73218	10.0
391.20517	12.4
580.11804	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	579.2066
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03918	0.5
55.01860	0.5
57.03408	0.5
59.04065	0.3
65.03909	1.2
67.05483	0.6
69.03403	2.7
69.07035	0.4
69.91467	2.2
70.06558	1.5
72.08136	0.7
78.04691	1.6
79.05460	1.4
81.03399	0.7
81.07011	0.3
84.08111	0.9
85.02887	3.0
85.11755	0.4
86.09684	1.3
87.04468	0.4
91.05450	1.6
93.03391	0.5
93.07001	0.4
95.04942	1.0
97.02859	1.1
97.06516	0.4
98.21449	0.5
102.05529	0.4
103.05431	1.4
105.03379	0.5
105.07001	0.7
106.04145	1.0
107.04929	1.2
107.08601	0.5
108.02059	0.5
109.02830	0.8
110.03603	0.7
110.07211	0.5
111.04382	0.4
115.05436	3.5
117.07014	5.2
119.08520	0.6
120.08127	0.4
123.04418	5.5
124.05219	1.8
127.03989	0.6
127.05397	0.9
134.03606	0.5
136.07553	0.6
137.05933	0.8
138.03133	0.5
142.02611	0.6
145.06477	8.6
147.08014	0.8
151.03857	0.9
152.04651	1.6
152.57887	0.3
155.04984	0.4
155.06067	3.1
161.05936	0.4
167.07019	100.0
168.07439	0.7
171.06519	1.2
173.05966	20.2
175.07512	0.4
181.04941	22.5
191.06984	0.5
199.05217	0.4
201.05406	0.7
205.08607	3.6
207.10115	0.5
233.08057	4.9
235.09607	4.6
316.05847	0.5
331.08264	1.1
384.04828	0.4
387.14349	18.2
395.67450	0.4
399.27280	0.9
417.15439	11.7
450.73584	0.4
518.20459	0.5
579.20685	50.0
579.33478	4.5
580.21045	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.2826
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	4.8
55.01867	4.0
55.05507	11.1
57.03421	3.0
57.07061	5.5
65.03926	2.5
67.05500	63.4
69.03413	4.1
69.07063	12.3
70.70967	2.5
70.71339	2.8
71.04982	2.5
71.08647	1.8
73.02915	3.3
79.05484	35.2
79.05919	2.7
81.03411	3.4
81.07047	74.4
83.04992	2.3
83.08617	8.0
85.02900	4.1
85.06573	1.8
91.05469	18.2
92.21861	1.4
93.07037	42.8
95.04990	2.6
95.08598	60.8
97.06525	2.6
97.10168	2.5
98.98462	5.4
99.04436	2.8
99.08119	1.5
100.33099	1.5
105.07029	16.9
107.08591	33.2
109.02862	7.9
109.10146	37.5
110.03682	2.9
111.04433	5.0
117.07013	8.6
119.08584	16.3
121.10136	29.5
123.11684	21.7
125.09621	1.6
127.03918	4.8
131.08556	20.0
133.10104	16.2
135.11688	22.1
137.09613	2.4
137.13258	7.4
145.10103	14.2
147.11673	9.6
149.02303	4.0
149.13248	14.9
150.02644	3.1
151.02852	1.5
151.14821	2.9
153.12723	2.0
155.01030	4.9
159.11673	16.1
161.13240	8.7
163.11168	2.2
163.14792	11.7
165.12759	2.0
171.91379	1.3
173.13242	15.6
175.14755	3.7
177.16360	4.6
181.90944	1.4
187.14795	7.2
191.00037	3.3
193.04836	1.5
201.16478	3.4
205.15881	1.6
210.96739	1.7
233.22726	4.2
243.21016	26.2
261.22107	100.0
262.22391	1.7
263.23660	4.6
279.23135	5.1
317.24768	1.4
335.25760	19.7
337.27396	3.5
353.26843	73.3
369.24374	2.3
374.23380	1.4
377.27005	1.8
443.27704	2.1
469.22556	1.6
473.19604	3.8
476.30777	1.6
561.27411	6.5
579.12280	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	579.1341
Annotation	tricin 7-(6-malonylglucoside)
Peak:m/z	Relative Intensity
50.27085	0.1
50.48930	0.1
53.03941	0.2
55.01847	0.2
55.05486	0.1
64.56294	0.1
67.05502	0.2
69.03391	0.3
70.06566	0.3
71.30456	0.2
79.05474	0.3
80.60806	0.1
81.03394	0.2
81.07027	0.5
84.08126	0.2
85.02878	0.5
86.09685	0.4
91.05450	0.3
93.07014	0.3
95.04948	0.1
95.08563	0.3
97.02879	0.2
97.06475	0.2
100.11246	0.2
105.07011	0.2
107.04959	0.2
107.08549	0.2
107.52208	0.1
109.02852	0.3
121.10025	0.2
124.05175	0.4
126.05660	0.2
127.03883	0.4
134.03583	0.2
135.11691	0.2
137.02316	0.2
137.05911	0.2
145.10013	0.1
151.03886	1.1
153.01825	1.3
157.10052	0.2
162.03055	0.2
163.03932	0.2
164.04689	0.2
167.07018	0.6
176.75937	0.1
179.03360	0.1
181.05026	0.2
182.74512	0.1
185.31937	0.1
189.05467	0.2
194.02113	0.3
217.04910	1.2
228.04178	0.7
229.04868	0.4
242.05658	0.2
243.06503	0.4
245.04424	3.1
253.05103	0.2
257.04501	0.6
258.05252	0.1
259.06027	0.2
269.04413	0.4
270.05298	0.7
271.05957	1.1
273.03925	4.2
274.04187	0.1
281.04202	0.1
285.03912	0.6
285.07224	0.2
286.04666	0.3
287.05469	1.7
288.06259	1.8
298.04736	0.3
299.05444	0.7
300.02628	0.6
301.03403	9.8
302.03928	0.6
315.04962	12.6
316.05743	46.4
317.06107	1.4
331.08081	100.0
332.08423	3.1
493.13293	1.5
561.12292	0.2
578.41510	0.3
579.13354	2.8
579.22498	0.3
580.13739	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.1702
Annotation	RHOIFOLIN
Peak:m/z	Relative Intensity
57.03427	0.2
65.94725	0.1
68.99821	0.1
70.06576	0.2
71.04990	1.7
71.06040	0.3
73.65581	0.1
79.05481	0.1
84.08083	0.1
85.02898	1.7
86.09695	0.2
95.01314	0.4
103.05450	1.1
105.03365	0.4
105.07011	0.1
121.06441	0.1
123.00784	3.3
129.05470	0.5
129.06915	0.2
141.01799	0.4
147.04419	0.4
150.04567	0.1
151.00227	0.1
153.01845	0.3
167.03418	0.2
167.07045	0.9
169.01297	1.0
196.03662	0.2
197.06105	0.2
211.05974	1.6
225.05446	0.8
229.04939	0.3
253.04935	2.1
271.05984	100.0
272.06326	1.1
316.05731	0.4
331.08069	0.6
331.11761	1.4
433.11264	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	578.353
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51380	1.4
52.06104	1.4
55.01871	2.2
55.05515	7.2
57.03442	2.3
61.02906	2.8
67.05502	15.0
67.28664	1.2
68.68668	1.3
69.03423	1.5
69.07060	5.7
69.66916	6.6
69.67335	2.4
71.04986	9.4
79.05477	15.9
81.03407	2.7
81.07050	44.8
83.04963	2.5
83.08611	6.7
86.81895	1.8
90.07088	1.5
91.05460	13.2
93.07030	13.9
94.95469	1.7
95.04981	4.3
95.08600	9.1
97.06555	2.5
98.20798	1.6
105.07019	10.6
107.04947	5.1
107.08572	10.2
109.06504	19.5
109.10150	4.9
111.04448	2.7
111.08097	1.7
117.07007	3.6
119.08570	9.7
121.06522	3.5
121.10121	7.7
123.08060	4.3
123.11737	3.2
129.07001	1.8
131.08569	5.7
133.10120	9.9
135.08051	3.6
135.11671	2.7
137.09532	2.2
145.10127	6.5
147.11684	6.7
149.09628	5.1
149.13243	3.8
155.08530	1.8
159.11720	3.0
161.13239	2.2
163.11166	4.3
165.12749	2.1
173.09619	1.5
193.12160	1.7
229.19341	2.0
239.18124	1.5
247.20515	2.4
252.49486	1.5
257.18774	2.0
275.20004	29.8
293.20987	2.3
307.22720	3.3
349.23700	100.0
350.23999	1.7
367.24762	4.1
381.26328	36.1
424.14194	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	578.2261
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	1.4
55.01866	1.3
55.05492	1.2
57.03427	1.1
57.07059	1.0
58.99578	1.3
60.04511	1.1
61.02902	1.1
67.05490	1.6
68.99771	0.8
69.03421	39.7
69.07047	2.5
70.06590	2.8
70.89777	0.6
71.04979	1.8
71.52687	1.0
72.08136	1.3
73.02893	1.2
73.41313	0.6
76.02214	2.7
79.05480	2.3
81.03407	6.3
81.07053	3.5
83.04987	3.0
83.08608	0.8
84.04512	0.9
84.08153	1.2
85.02899	14.6
85.06535	1.6
86.09686	1.4
87.00822	4.3
91.05470	2.6
93.07029	2.7
95.04983	0.7
95.08598	5.1
97.02880	6.1
97.06503	1.9
97.53842	0.6
99.04444	3.5
100.02156	0.8
103.03932	0.9
105.00068	0.9
105.01839	3.3
105.07016	3.4
106.06503	1.2
107.08573	9.0
109.02882	5.1
109.06480	2.8
109.10112	1.4
110.06020	2.2
110.07169	0.8
111.08073	1.9
119.08575	3.7
120.08062	1.1
121.06470	2.5
121.10136	10.9
122.02708	9.5
123.08047	2.3
123.11699	6.3
125.08767	1.1
125.09619	13.3
127.03907	11.6
129.01826	0.6
131.08551	3.6
133.10101	3.3
134.06021	1.6
135.08031	8.1
135.11661	4.5
137.09579	1.0
143.08510	0.9
145.04956	4.9
145.10069	2.5
146.02750	0.7
146.42668	0.6
147.11697	2.1
149.09590	7.6
149.13210	3.1
151.11139	1.7
152.07063	1.7
153.09084	5.1
158.10910	1.9
159.02882	2.3
163.11157	1.8
163.14781	4.3
165.12732	2.2
166.08580	0.7
167.10669	1.1
172.07642	0.8
173.13248	15.8
176.06996	1.2
176.12039	0.8
177.05452	1.6
190.05437	0.8
191.14284	64.0
192.14609	1.0
200.07106	1.0
209.15343	100.0
210.15689	1.0
223.11436	2.5
231.04871	0.9
236.09261	1.0
241.12486	3.3
254.10204	1.1
264.58920	0.6
330.17285	4.5
385.76102	0.6
416.15442	1.3
513.79254	0.8
578.22174	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	578.2072
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.2
56.02716	1.4
59.66003	1.8
60.04513	2.4
65.67883	1.5
70.06586	5.2
71.19493	3.0
72.08150	1.5
79.05490	2.8
84.04514	2.9
84.08109	2.3
85.02888	6.0
86.09718	2.6
95.04951	2.0
97.02858	3.4
103.05463	3.0
105.03384	100.0
109.18423	1.5
120.08128	4.1
123.04385	3.4
127.03912	2.7
130.06488	2.0
131.04918	3.4
133.08409	1.9
141.01804	3.2
148.07564	29.0
150.54143	2.0
167.07021	9.0
173.05986	2.4
179.07001	34.4
195.27406	1.8
197.08076	60.6
206.10196	2.2
336.70825	1.6
416.15375	3.7
484.94159	1.9
494.92798	1.7
578.20844	2.5
579.20404	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.6121
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	3.4
54.09344	2.8
55.05508	47.0
57.07074	76.2
64.42001	3.3
65.03944	2.7
67.05501	61.3
69.07064	78.4
69.81784	2.6
71.08630	57.2
72.30090	2.7
79.05492	17.4
81.07050	91.9
83.08612	66.7
85.10184	38.3
87.04479	3.4
91.05486	5.7
93.07030	15.4
95.08604	100.0
97.10157	54.4
99.11735	5.1
106.56853	2.8
106.87698	2.6
107.08575	8.3
109.10155	62.3
111.11711	38.0
113.13294	4.0
119.08621	3.7
121.10114	4.7
123.11703	25.8
125.13269	16.1
135.11700	6.5
137.13231	13.4
139.14731	4.1
149.13263	3.1
151.14822	9.2
151.99127	3.0
165.16425	6.5
179.17963	4.1
239.23753	3.5
263.23727	3.6
319.01138	3.4
557.60034	8.7
575.41913	2.9
575.50104	62.7
575.60883	12.2
576.50439	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	575.3425
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	6.2
55.05501	18.1
57.07059	10.1
67.05505	31.4
69.03420	25.2
69.07066	51.9
70.06574	19.9
71.04978	6.3
71.08606	6.8
71.52865	7.1
73.06519	4.4
79.05476	17.2
81.03402	16.1
81.07052	100.0
83.04963	6.7
83.08598	19.1
84.04459	10.0
84.08136	9.9
85.02914	30.2
85.06536	11.4
86.09695	34.2
87.00813	11.9
91.05472	17.9
93.07034	44.9
95.04953	7.8
95.08609	80.2
97.02901	15.6
97.06525	10.0
97.10157	6.2
99.04427	6.2
99.08073	6.4
103.94643	4.0
105.01829	8.7
105.07005	29.2
107.04942	7.8
107.08579	47.9
107.93577	4.2
109.02876	5.5
109.10178	43.7
111.08086	21.5
111.11684	7.0
117.06972	5.5
119.08588	11.1
120.08095	17.0
121.06552	5.3
121.10123	27.6
123.11696	37.9
127.03881	16.3
130.06468	5.2
131.08511	5.5
133.10103	7.5
134.05989	11.0
135.11696	20.9
137.13252	27.3
145.10052	7.1
147.11679	16.3
149.02278	10.4
149.13242	27.6
153.12727	15.5
159.08038	5.1
161.13255	7.4
163.11299	5.0
163.14827	12.2
165.12805	8.1
177.16397	9.4
191.77742	4.3
217.19597	7.0
221.08055	4.9
231.05063	5.1
273.25592	10.9
291.26901	23.7
309.27820	10.0
342.14532	5.5
343.14758	10.8
408.31506	4.4
444.19415	5.7
573.05505	4.9
575.27527	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	577.191
Annotation	Formononetin 7-O-rutinoside
Peak:m/z	Relative Intensity
55.05459	0.2
55.91327	0.2
56.24039	0.2
61.20121	0.2
68.99797	0.2
69.03410	0.2
70.06595	1.3
70.77277	0.3
70.77666	0.5
72.08109	0.5
79.05455	0.1
81.03358	0.3
81.07020	0.3
82.15003	0.2
84.08089	0.4
85.02876	0.3
86.09653	0.6
88.61007	0.2
91.05436	0.2
93.06992	0.3
95.04929	0.2
120.08042	0.5
124.01475	0.2
129.03291	0.2
167.07050	0.2
170.02066	0.3
226.06229	3.3
253.04988	1.3
253.07385	0.2
254.05708	29.1
255.06068	0.5
269.08047	100.0
270.08429	2.0
276.00528	0.2
283.05664	0.2
376.01053	0.4
391.03302	1.2
409.04514	0.4
466.54739	0.2
496.26129	0.2
535.07690	0.3
577.19220	1.6
577.29626	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.1301
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96552	8.5
69.03404	4.9
71.54176	5.7
76.46397	4.7
84.96027	5.4
98.97575	16.1
101.00896	10.6
107.98504	5.6
110.97614	5.6
116.98635	19.7
119.01899	42.7
131.01913	27.5
133.03494	6.4
137.02905	9.2
139.08360	4.4
143.00157	7.7
143.01892	45.2
145.03481	33.1
146.99670	7.3
149.02966	7.0
155.00815	5.8
155.01888	23.0
157.03416	5.9
159.05035	9.1
161.01184	12.0
161.02971	61.2
163.04489	6.2
169.03459	24.6
171.05067	12.4
173.02980	26.0
177.00748	6.7
181.03517	8.3
185.02966	20.8
187.04514	48.2
189.00789	8.7
189.02496	17.2
197.02931	8.7
199.04558	17.9
201.00705	11.0
201.02444	7.1
203.04071	17.1
215.03883	6.5
219.01817	11.3
231.03561	13.9
232.92235	8.8
245.05019	41.2
251.02625	6.4
263.06149	10.3
267.00613	5.3
275.02533	46.4
275.05548	7.6
287.02557	30.8
292.93536	4.8
293.03458	26.3
305.03549	29.2
305.06949	7.1
307.97629	5.1
323.04651	10.6
333.38919	5.9
335.04517	14.4
353.05875	5.6
365.09561	6.6
377.05719	19.9
395.06644	100.0
557.11700	11.6
575.10529	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	573.1219
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96560	16.8
57.74117	1.1
68.05038	1.5
69.07034	1.4
70.06597	5.3
71.22342	2.4
71.22693	1.1
72.08142	2.6
76.35690	1.0
77.17001	1.2
81.03415	2.0
81.07050	2.3
82.91138	1.0
84.08127	3.7
84.96039	6.4
85.02902	1.7
86.09698	5.2
91.05447	1.3
98.97574	7.8
102.97063	1.9
105.03381	4.6
109.10196	2.6
110.97569	5.0
112.99130	4.7
116.98624	3.6
128.98589	8.6
129.10219	3.2
129.32568	1.2
131.00125	6.6
134.99658	3.0
136.07555	2.6
143.00122	1.6
146.99643	7.8
149.01213	8.5
158.99706	2.7
160.99159	1.1
161.01254	2.2
162.91031	1.2
162.99165	1.6
167.02292	1.2
168.98070	1.5
170.99573	7.5
173.01248	2.9
177.00720	1.2
179.00160	3.0
186.99162	8.0
189.00681	13.2
191.02267	2.8
197.01215	26.2
205.00235	2.7
207.01816	3.1
215.02274	21.0
219.01688	6.3
220.02689	1.8
237.02780	12.9
245.03348	1.3
251.02269	1.5
253.03880	3.6
263.04483	1.1
265.04074	1.9
289.94409	1.1
293.03122	1.4
323.04367	8.6
329.47595	1.3
341.05334	6.6
347.04187	2.0
349.05957	6.8
357.26163	1.5
367.07071	9.1
390.08701	1.4
393.04758	4.2
397.08243	2.8
411.05859	3.5
415.08820	2.3
511.11426	3.1
555.10156	19.7
573.12006	100.0
574.12323	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	573.0974
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96558	35.8
56.96822	4.1
61.13139	1.8
61.32411	1.9
61.56612	2.0
69.03412	2.6
69.56824	14.0
69.57233	4.6
70.06580	7.2
70.46506	1.9
75.64809	1.9
77.15470	2.0
84.96027	19.4
85.02888	4.0
85.62958	1.9
98.20762	3.9
98.97575	100.0
110.97562	21.5
115.00678	2.8
116.98610	47.5
124.99096	12.6
128.98601	31.0
133.03400	2.3
134.99625	10.6
140.98590	11.1
143.00143	44.8
143.01854	2.6
144.98068	5.8
146.99615	16.0
152.98640	3.3
158.99629	37.5
161.01201	52.2
161.02708	3.6
162.99216	3.9
163.02945	2.1
170.99649	41.8
173.01216	4.2
175.02827	2.7
175.04437	3.8
177.00711	32.4
177.05440	3.4
179.02309	5.6
179.52010	2.3
181.00148	2.0
182.99655	12.5
185.01253	5.3
186.99152	14.1
187.04520	3.0
189.00700	38.0
196.18277	2.2
200.04318	2.5
201.00706	60.2
201.06091	2.4
202.03827	2.6
203.02254	11.6
203.03839	2.4
205.00185	29.7
207.01785	4.1
213.00722	3.0
217.05644	2.4
219.01730	64.0
223.01251	15.0
224.02338	2.1
227.02328	4.0
229.00154	4.2
230.98000	2.1
231.01727	6.7
237.02837	28.7
242.03413	2.3
243.01738	19.7
245.03322	2.4
246.72914	2.2
247.01292	6.8
247.05029	3.9
248.99242	12.2
254.98245	2.2
261.02805	83.1
267.00223	16.5
272.99149	3.7
273.02689	3.8
279.03842	32.1
281.06836	2.5
285.01428	3.2
287.04324	6.4
291.00192	22.8
291.03833	17.6
295.08682	3.5
303.00412	2.9
305.05423	4.0
307.03351	4.1
309.01260	14.4
309.04721	3.9
321.01239	9.2
321.04913	42.5
331.03345	5.2
333.00867	2.8
333.04703	6.9
333.72418	2.3
349.04361	3.0
351.02328	3.3
351.05975	13.1
375.02396	14.3
381.07083	9.2
381.11673	2.1
393.03296	29.8
393.07980	2.2
399.08258	11.7
411.04306	29.4
439.13000	6.6
469.08560	8.6
493.08398	4.1
537.07642	14.6
555.08618	38.0
555.16492	3.3
573.09918	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	571.3086
Annotation	Unknow
Peak:m/z	Relative Intensity
60.03324	0.5
67.02957	0.6
68.64408	0.5
70.06572	0.8
71.10644	0.8
71.10971	0.6
79.05515	0.6
81.07050	0.5
95.08616	0.9
98.20886	0.6
98.61813	0.5
103.29512	0.5
112.84733	0.4
218.07788	0.4
223.47578	0.5
259.07999	1.0
275.20251	0.6
335.20862	0.9
348.89398	0.5
409.25525	2.8
553.29547	2.3
571.30829	100.0
572.30811	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	571.4349
Annotation	Unknow
Peak:m/z	Relative Intensity
52.87804	2.9
53.03946	4.3
55.00997	2.9
55.01853	14.2
55.05504	53.8
57.07066	6.5
59.15482	2.9
60.10700	2.9
67.05499	69.0
69.07062	45.9
70.56447	3.7
70.56801	10.9
71.04971	6.9
78.96275	2.9
79.05067	4.6
79.05486	44.8
81.06592	6.3
81.07042	70.7
83.04956	7.7
83.08614	21.4
90.59472	3.2
91.05481	38.1
93.07029	45.6
95.04918	6.6
95.08596	51.4
97.06519	15.8
97.10146	38.7
105.07022	49.7
107.08581	34.9
109.10143	32.7
111.08090	4.8
117.07009	41.9
119.08564	50.8
121.10126	25.1
123.08094	4.1
123.11677	5.1
125.09627	25.0
129.07016	18.3
131.08556	55.8
133.10098	32.0
135.07974	3.3
135.11684	16.7
141.07008	4.9
142.07681	5.2
143.08549	27.7
145.10103	63.2
147.11688	23.5
149.13278	4.7
155.08516	9.7
157.10098	21.8
159.11684	39.4
161.13263	12.0
169.10129	9.8
171.11678	21.7
173.13234	27.7
175.14821	6.1
183.11681	10.9
185.13257	16.0
187.14799	19.8
189.11140	13.4
195.11671	8.0
197.13260	8.7
199.14850	8.7
201.16374	9.7
207.86682	3.7
209.13274	4.2
211.14726	6.4
213.16364	8.0
215.17896	8.0
217.19556	3.1
225.16359	8.1
227.17952	4.2
229.19582	7.3
239.17924	5.1
275.20065	9.3
277.21490	10.5
285.18231	3.5
289.21420	7.5
291.35825	3.2
297.22122	4.4
301.21701	4.9
303.23157	5.6
313.25070	3.3
315.23157	11.4
323.23499	3.5
341.24652	5.1
354.64801	4.0
357.27728	5.4
359.29276	5.3
367.29868	10.2
373.30856	4.6
383.28946	6.3
383.33350	6.0
385.30972	100.0
397.31158	4.8
399.32309	8.7
459.34692	10.0
473.36200	3.9
513.39478	6.4
517.40308	12.8
535.41248	27.8
553.42358	76.9
571.43542	75.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	573.0968
Annotation	Unknow
Peak:m/z	Relative Intensity
51.78074	1.6
56.96553	37.4
57.29702	1.6
69.96632	3.9
69.97019	4.5
74.97617	1.9
84.96025	25.4
98.21443	1.8
98.97570	100.0
100.99129	2.4
102.97086	2.8
110.97556	23.5
116.98608	70.4
119.97147	1.8
124.99098	15.9
126.96982	2.0
127.00694	2.5
128.98593	39.4
130.89783	1.8
131.00157	3.1
132.76225	2.0
133.01707	3.2
134.53912	2.3
134.99637	21.2
140.00191	3.4
140.98590	13.2
143.00146	50.0
144.98083	2.9
146.99629	26.8
152.98541	3.5
153.00674	2.4
158.01149	2.0
158.99643	40.0
161.01212	71.8
162.99156	4.5
165.00722	3.2
170.99628	38.7
171.54881	2.1
173.01280	3.1
174.99117	2.6
175.02812	2.6
177.00703	36.9
179.02272	13.8
182.99644	14.3
185.01202	4.6
186.99109	14.0
189.00685	49.8
195.01711	4.8
201.00690	63.7
203.02249	15.5
205.00168	36.8
207.01781	6.0
213.00647	5.4
219.01747	68.0
221.03392	1.9
223.01196	17.3
224.02263	3.1
227.02284	6.1
229.00229	5.2
229.03848	2.5
230.98143	2.4
231.01762	8.1
237.02802	32.7
243.01720	21.5
243.03566	1.9
245.03198	4.6
246.00566	2.1
247.01285	8.8
247.04649	2.0
248.99216	14.7
255.01027	3.2
261.02783	83.7
267.00186	21.6
272.99271	4.7
273.02869	7.4
279.03839	51.3
287.04361	7.1
289.02231	3.2
291.00232	25.4
291.03857	15.0
302.05420	4.4
303.00253	2.5
305.05417	4.3
307.03397	4.9
309.01370	15.8
309.04611	3.1
321.01279	9.0
321.04947	41.1
331.03293	6.3
333.04779	9.8
349.04364	5.4
351.02203	6.9
351.06055	14.6
357.01346	2.7
375.02359	23.6
381.06955	9.4
393.03384	44.5
399.08060	18.8
411.04422	32.1
469.08896	12.7
493.08810	3.3
511.09552	3.0
537.07538	19.1
555.08636	52.9
573.09668	75.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.2929
Annotation	Unknow
Peak:m/z	Relative Intensity
71.52875	0.3
83.01082	0.2
95.01086	0.3
96.01859	0.2
110.88531	0.2
119.17155	0.2
133.03508	0.3
139.12289	0.2
145.59366	0.2
158.21365	0.2
184.03557	0.2
185.04207	0.7
201.03658	0.7
203.05212	1.1
243.14487	0.3
259.07889	1.7
331.09921	2.0
333.19333	0.9
351.20285	0.7
387.16205	0.8
401.17831	0.2
407.23987	1.6
427.19424	0.5
441.20816	2.9
443.22311	0.7
471.22382	0.3
499.21576	1.1
511.93658	0.2
569.29266	100.0
570.29700	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.2931
Annotation	Unknow
Peak:m/z	Relative Intensity
56.28377	0.5
71.07912	0.9
72.12978	0.5
99.63079	0.4
120.08112	0.7
185.04224	1.0
203.71263	0.5
214.56622	0.5
232.19640	0.5
244.78214	0.5
259.07840	0.8
273.73734	0.5
331.09967	2.8
333.19659	0.5
345.11780	0.6
387.16202	0.6
407.24091	1.1
441.20944	3.9
443.22861	0.7
455.55753	0.5
499.21658	0.9
552.62091	0.5
569.29309	100.0
570.29517	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	570.2178
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	1.4
55.01857	1.2
57.03437	3.3
59.05009	0.6
61.02922	6.7
65.03928	1.7
67.05508	0.9
69.03425	12.4
70.06582	2.5
71.04984	1.4
71.10509	1.2
72.08144	0.8
73.02914	1.9
79.05492	1.4
81.03421	5.6
81.07043	2.3
85.02900	71.5
86.09694	2.3
87.04461	1.7
91.03967	4.1
91.05477	100.0
92.05814	1.1
93.07047	0.6
95.08608	1.5
97.02885	17.9
99.04425	3.1
103.03916	0.7
107.04949	14.0
107.08605	0.6
109.02869	5.7
109.06504	0.6
114.87452	0.6
115.03920	0.9
120.08096	0.5
121.10082	0.7
127.03907	17.5
145.04951	28.7
163.06024	8.3
177.05548	0.8
184.07385	1.3
187.14558	0.6
208.87386	0.6
220.14427	0.6
229.08530	3.1
265.13824	0.7
327.29697	0.5
330.13193	1.2
330.63617	0.7
409.50427	0.5
500.00827	0.5
563.30334	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	570.3419
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07073	6.3
58.06583	2.2
65.66129	0.6
69.80183	4.0
70.06587	18.1
71.08618	2.9
72.08135	0.7
73.45954	0.6
79.06538	0.7
85.06820	0.6
85.10185	0.9
88.07619	20.0
98.21507	0.7
102.09177	14.0
105.03384	17.1
110.37946	0.7
116.80197	0.6
118.33608	0.6
131.04897	1.0
149.02336	12.5
149.05965	65.8
175.03882	0.8
181.06494	1.7
193.04932	10.5
199.34125	0.7
212.23743	0.7
219.06551	1.0
256.26324	53.3
263.77777	0.6
297.07538	14.4
316.52710	0.7
337.52927	0.7
341.10165	57.0
565.90356	0.8
570.34180	100.0
571.34515	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	569.293
Annotation	Unknow
Peak:m/z	Relative Intensity
55.86690	0.3
69.25059	0.7
69.25461	3.1
70.06605	0.4
94.93301	0.3
203.05336	0.9
249.19456	0.3
259.07938	1.4
333.19550	1.4
351.20261	1.3
407.24081	2.0
569.29285	100.0
570.29608	2.6
578.09351	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	568.2957
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	1.0
55.01864	1.0
55.05495	1.5
57.03422	2.3
59.04977	1.5
61.02909	2.1
67.05472	2.3
69.03424	8.5
69.07063	4.4
69.29086	7.8
70.06586	7.2
71.04977	2.3
72.08144	3.4
73.02901	1.8
74.06024	1.9
79.05482	2.5
81.03416	3.9
81.07039	2.9
83.04958	2.1
83.08579	0.8
84.04508	1.0
84.08134	2.2
85.02895	38.2
86.09691	4.5
91.03929	1.5
91.05467	2.0
93.07028	4.0
95.04957	1.7
95.08599	4.3
95.48244	0.8
97.02885	9.6
97.06487	1.2
97.10142	0.9
97.30774	0.8
98.21515	1.5
99.04430	1.9
99.22163	0.8
105.07013	2.8
107.08568	10.2
109.02851	3.1
109.06525	1.9
109.10146	8.3
110.07135	2.3
111.08085	2.1
119.08553	1.7
120.08087	1.5
121.06483	1.8
121.10152	8.9
123.08020	1.1
123.11719	1.5
125.09607	2.9
127.03915	11.1
129.10188	1.4
131.08482	1.5
133.10085	4.2
135.08009	2.8
135.11682	4.4
136.07526	1.6
137.05951	1.2
137.09630	6.0
139.11121	1.8
145.04942	15.1
147.11630	2.0
147.30545	0.9
149.05988	1.0
149.09612	2.3
149.13254	6.3
151.07640	0.9
151.11143	11.6
152.24327	0.8
153.09090	1.4
161.05933	0.8
163.05997	7.0
163.14796	7.0
165.12700	1.9
167.07062	0.8
169.12178	3.8
173.13261	7.8
173.59999	0.8
173.61481	0.7
177.05450	0.9
182.85539	1.0
191.14294	25.7
209.15356	16.4
227.16391	100.0
228.16743	1.0
260.12689	2.3
325.11182	1.0
373.58377	0.8
444.50064	0.8
457.39807	0.9
468.76477	0.8
568.23016	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	568.239
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01849	0.9
61.02912	0.9
67.05498	1.5
68.75861	0.7
69.03405	2.5
69.07074	1.1
69.29214	7.4
69.29982	0.7
70.06593	3.6
70.72580	0.8
71.04991	0.7
72.08167	1.0
77.58115	0.7
78.04695	1.3
79.05478	3.4
80.40887	0.6
81.03405	1.3
81.07039	0.9
84.04475	0.7
84.08134	1.7
85.02891	5.3
86.09698	1.5
91.05487	6.4
93.07001	1.4
95.04958	2.0
95.08498	0.8
97.02883	2.2
103.05453	1.0
105.07013	3.0
107.04964	5.8
107.08530	1.3
109.02888	0.7
109.06506	0.7
110.07206	0.8
115.05435	1.5
117.03365	0.7
117.06969	2.2
119.04926	2.9
119.08571	2.9
120.08076	0.8
121.06499	1.6
123.04427	2.7
124.05194	1.5
127.03886	2.3
128.06174	0.8
129.07027	3.5
131.04892	2.7
133.06451	2.3
135.11624	1.0
136.05196	1.9
136.07574	2.2
137.05939	2.8
145.02814	1.0
145.04935	1.3
145.06468	3.1
147.04420	1.0
147.08002	2.2
149.05998	1.6
151.07536	2.8
152.04688	1.9
153.05481	1.3
155.06958	1.0
159.08022	2.5
161.05992	8.4
163.07448	0.8
165.05502	1.0
167.07027	100.0
168.07346	1.0
172.05180	1.2
173.05940	1.2
174.06683	1.0
175.07532	19.2
176.04782	0.8
177.05469	1.5
178.04929	1.3
179.07033	9.3
180.08698	1.4
185.06110	1.0
187.07527	10.5
189.07101	0.7
189.09041	1.4
190.06047	0.8
191.07007	8.9
191.08554	0.9
193.08604	3.6
199.07550	2.7
205.08543	5.3
206.04494	2.1
207.06438	0.9
209.08006	2.9
217.08588	2.5
221.09605	1.8
223.09682	1.3
233.09679	1.2
234.06775	1.4
234.79468	0.6
241.09732	0.7
249.09033	2.5
261.09076	1.3
263.07034	0.9
266.09372	0.8
277.08524	1.8
278.09561	0.7
279.06631	0.9
281.11691	4.6
294.08694	0.9
307.09647	1.2
308.10040	0.8
309.11203	4.6
313.10660	0.9
321.11249	2.3
326.11465	2.3
339.12241	1.7
341.13818	16.1
344.12268	0.8
353.13736	5.9
359.14847	9.4
371.14920	10.4
373.13828	2.3
387.09326	0.8
545.75372	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	564.3374
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	4.5
54.06819	1.8
55.01863	6.2
55.05509	18.4
57.03441	4.4
61.02930	2.1
67.05502	35.0
69.03423	6.6
69.07063	20.0
69.24689	21.7
71.04979	4.9
74.05049	1.9
79.05490	33.2
81.03430	11.3
81.07047	89.0
81.81970	2.2
83.04978	5.1
83.08616	18.6
85.02896	5.8
85.06508	2.2
91.05472	26.1
93.07034	31.8
95.04971	14.3
95.08589	24.4
97.02902	2.6
97.06521	8.9
97.10147	2.3
98.21624	2.1
99.04430	3.4
99.08105	3.7
105.07013	38.6
107.04924	10.1
107.08571	18.2
109.02889	4.8
109.06514	38.7
109.10108	9.7
111.08103	4.9
117.06992	10.1
119.08560	26.6
121.06497	6.2
121.10154	16.7
123.08045	6.2
123.11697	8.1
125.09611	3.0
127.03909	9.8
129.07004	4.5
131.08553	15.7
133.10126	16.8
135.08076	3.7
135.11699	4.8
137.09601	6.0
143.08603	2.0
145.10159	14.2
147.08084	3.4
147.11678	20.6
149.09596	10.9
149.13278	6.2
151.11098	3.9
155.08582	2.8
157.10098	5.8
159.11674	11.4
161.09642	2.7
161.13239	5.1
163.11206	9.4
165.12761	6.2
171.11720	2.4
173.13261	5.0
175.11162	4.5
177.12775	6.1
193.12292	3.7
197.13319	2.1
207.96407	2.3
219.13861	2.3
229.19536	2.7
234.31075	2.3
239.17900	5.2
247.20593	4.3
257.19046	9.2
275.20029	100.0
293.21027	23.9
333.20337	2.1
349.23685	64.6
367.24716	47.3
383.22003	4.4
401.23270	16.7
419.24271	37.6
437.25348	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	566.2072
Annotation	Unknow
Peak:m/z	Relative Intensity
51.87306	0.4
53.03940	2.1
55.01849	0.5
57.03426	1.7
69.03418	1.2
69.82722	2.3
70.06572	1.3
71.04965	0.6
72.08138	0.6
74.59013	0.5
79.05489	2.2
81.03418	1.1
84.08147	1.0
85.02892	4.2
86.06052	0.7
91.04942	0.8
91.05465	4.8
92.59408	0.4
95.04951	3.6
97.02888	1.9
99.00816	0.6
99.04458	0.6
101.77362	0.5
105.03378	100.0
110.07146	0.9
111.04458	0.6
123.04440	4.4
125.06996	0.5
127.03907	0.6
137.06007	0.6
138.23714	0.5
140.07236	0.5
141.01854	0.4
145.04967	0.8
147.04419	0.7
170.48228	0.5
175.03935	0.8
179.07004	28.5
193.08592	1.7
197.08078	34.7
206.04625	0.5
207.06531	3.7
211.09688	1.3
213.71552	0.6
225.07539	1.1
277.07083	1.1
290.07907	0.4
323.05493	0.4
342.89059	0.5
369.11755	4.6
476.07303	0.5
501.14355	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.1753
Annotation	Unknow
Peak:m/z	Relative Intensity
51.09786	1.1
58.51798	1.2
59.21947	1.1
61.62245	1.2
70.06562	2.3
71.53070	1.9
91.05477	2.1
103.05431	3.3
122.03652	1.3
131.04919	12.4
139.03905	7.5
150.03093	4.6
153.01816	12.1
154.02779	1.2
167.03369	5.9
170.02148	2.1
178.02495	1.1
181.01282	5.0
196.03659	20.7
199.02332	1.9
211.05992	100.0
315.12228	78.6
316.12344	1.6
339.36853	1.2
421.19989	1.4
506.00211	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	564.3374
Annotation	Unknow
Peak:m/z	Relative Intensity
50.87590	3.8
53.73686	4.1
55.01858	3.6
55.05500	17.2
57.03422	4.4
61.46677	3.7
67.05501	19.5
69.07056	7.8
69.82402	3.9
69.82733	24.6
79.05474	10.7
81.07020	12.6
83.04954	4.7
83.08601	11.2
85.02904	5.5
91.05466	7.0
93.07016	17.2
95.04964	26.0
95.08603	9.3
97.10149	5.2
100.33624	3.9
105.07001	12.8
107.04912	4.9
107.08572	16.9
109.10186	7.4
111.04417	8.7
119.08548	8.1
121.10134	12.0
125.09589	5.4
131.08524	6.4
133.10132	7.1
135.07954	5.5
145.10048	9.7
149.09599	9.8
159.11734	4.2
163.11118	11.9
173.13297	5.7
205.12285	5.9
219.36447	4.2
223.13234	24.2
241.47484	3.8
275.19986	22.4
293.21136	12.8
349.23477	9.1
367.24741	100.0
552.43524	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	564.3374
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	2.1
55.01858	4.5
55.05508	9.8
57.03432	5.2
57.07057	1.1
61.02916	3.0
65.03929	1.1
67.05499	20.7
69.03429	2.1
69.07062	10.2
69.30531	1.1
69.30824	10.9
71.04983	1.7
71.16111	1.1
73.02921	1.2
79.05489	20.8
81.03403	1.6
81.07051	60.7
83.04986	3.7
83.08614	8.1
85.02893	3.4
85.06519	1.8
91.05473	13.8
93.07036	15.6
95.04944	5.9
95.08591	14.1
97.02907	1.9
97.06543	5.3
99.08086	2.0
105.07027	14.4
107.00829	1.0
107.04952	5.8
107.07980	1.1
107.08601	10.6
109.06508	20.8
109.10149	5.7
111.08069	3.5
117.07004	4.8
119.08584	14.7
119.09380	1.8
121.06538	4.2
121.10143	7.9
123.08060	4.4
123.11700	3.3
129.06898	1.2
131.08589	6.4
133.10130	11.8
135.08015	3.9
135.11662	4.9
137.09555	2.5
143.08562	1.6
145.10110	7.2
147.11687	13.1
149.09625	5.2
149.13242	6.0
151.11127	1.9
155.08578	1.5
157.10083	2.2
159.11655	4.4
161.13309	2.5
163.11136	4.9
164.22601	1.1
165.12784	3.2
169.10141	1.0
171.11746	1.6
173.13226	3.2
175.11172	2.4
177.12738	2.1
193.12238	1.5
195.13788	1.1
201.12628	1.3
229.19522	1.1
239.18024	1.8
247.20592	2.7
257.18979	2.6
275.20023	30.6
281.19870	1.1
293.21109	7.3
349.23715	75.2
350.23950	2.1
351.59177	1.2
367.24759	100.0
368.25015	1.6
529.30115	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	562.3943
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05494	47.1
71.52856	29.9
74.54981	23.8
79.05492	32.9
81.07027	57.2
83.31370	24.9
95.08593	43.7
101.11424	21.5
118.96928	21.9
156.62570	23.2
165.88713	21.4
245.22565	65.5
263.23660	100.0
337.27304	36.2
383.25095	22.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.1392
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03411	0.4
70.06584	0.8
71.19463	0.6
71.37644	0.3
73.58969	0.3
74.09700	0.4
79.77249	0.3
81.03410	0.3
81.07011	0.3
105.06980	0.3
109.02866	0.3
127.00288	0.6
127.03949	0.3
133.06490	2.1
135.04419	1.8
168.00523	6.3
186.01576	7.9
257.04349	0.9
269.07980	0.6
272.06744	0.8
285.03891	0.8
299.05405	0.8
300.06256	68.1
301.06625	1.5
315.08591	100.0
316.08801	1.7
447.69360	0.3
471.23535	0.3
519.25372	0.7
563.14209	0.4
563.24408	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	560.379
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05490	18.9
58.47803	14.5
60.06107	16.1
64.28699	17.4
64.64978	17.7
67.05498	38.5
70.90803	48.0
79.05473	16.9
81.07038	57.2
93.07034	29.6
94.96014	15.1
95.08605	30.6
95.38422	17.4
107.08575	19.5
109.10165	18.7
115.42944	17.3
121.10066	20.6
154.52159	18.0
159.11703	25.2
207.93871	18.1
243.21077	32.1
261.22006	100.0
276.46201	17.3
335.25824	26.3
353.26947	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	560.3787
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05512	60.3
69.94546	21.5
71.52914	29.7
71.53268	26.8
75.89259	21.6
76.92712	20.9
78.56841	22.4
81.07041	52.8
87.97157	21.4
93.07015	24.8
95.08593	48.9
95.27344	21.2
105.07011	20.6
109.10155	30.7
149.13252	32.7
241.01128	22.6
261.22202	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.3987
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	9.3
54.16761	7.0
55.05493	24.3
57.03424	13.8
67.05503	100.0
69.07056	31.9
71.53697	9.4
76.09481	7.6
79.05485	98.2
81.03402	9.7
81.07053	84.0
83.04966	21.8
83.08607	18.1
91.05479	83.9
93.07038	88.8
95.04956	23.8
95.08607	54.8
105.07021	49.0
107.08570	31.4
109.06506	8.9
109.10137	23.3
112.50716	7.2
112.51456	8.0
117.06979	17.4
119.08583	39.0
121.10101	21.4
129.06996	22.6
131.08580	25.6
133.10143	11.7
137.87367	6.1
143.08578	10.4
145.10133	21.6
147.11646	31.6
149.13211	7.1
159.11658	9.8
161.09642	6.6
161.13252	19.8
163.11237	7.5
171.11700	34.1
189.12764	11.7
207.11804	7.0
207.13788	27.4
221.78061	8.0
261.22028	10.5
281.17517	51.1
335.25858	44.8
343.37796	7.4
365.65695	8.5
375.43326	8.2
395.10220	7.9
541.39069	75.3
559.40338	12.9
581.54755	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	560.2336
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	4.5
57.06796	1.0
57.07073	17.9
58.98515	0.6
69.03421	1.6
70.37482	2.8
73.06554	1.0
81.03420	1.1
85.02913	3.2
87.00793	1.2
97.02882	1.7
97.50295	0.7
109.02843	1.1
121.02857	2.3
127.03922	1.9
131.08563	0.8
135.38721	0.6
149.02332	100.0
161.05994	0.8
167.03397	2.3
175.07542	4.1
184.67012	0.7
199.07095	0.7
203.07056	5.5
205.08568	7.9
221.08089	1.5
223.09654	0.8
277.14337	32.1
295.15405	2.4
445.12579	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.3319
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	2.6
55.01855	2.8
55.05507	38.4
57.03424	1.3
57.07074	7.7
61.02919	1.0
67.05502	12.4
68.05787	0.8
69.03420	7.8
69.07063	41.9
70.06588	2.3
71.04211	1.5
71.04535	1.0
71.04984	1.6
71.08617	3.7
72.14424	0.7
73.02897	1.2
77.35994	0.8
79.05480	6.4
81.03403	4.9
81.07052	38.7
82.07365	0.9
83.04974	46.1
83.08615	17.6
85.02901	14.0
85.03390	1.6
85.06516	1.8
85.10149	0.9
87.00827	5.6
88.54070	0.9
91.05473	3.2
93.07037	11.5
95.04970	2.9
95.08601	37.3
97.02878	4.2
97.06516	2.8
97.10165	9.3
99.04443	2.3
99.08046	1.7
101.48550	0.8
105.01862	6.9
105.06995	6.0
107.08585	11.7
109.02867	4.7
109.06509	6.0
109.09396	1.0
109.10146	20.8
111.07367	0.7
111.08068	18.9
111.11699	2.8
117.01814	1.0
118.17836	0.9
119.08595	6.5
120.08065	1.7
121.06512	0.8
121.10129	10.5
123.08061	2.5
123.11702	16.7
125.09615	4.8
125.13249	1.0
127.03921	6.3
133.10101	4.5
135.11729	4.6
137.09612	1.2
137.13231	17.7
139.11148	3.9
141.12689	0.9
145.04942	3.5
147.11641	5.2
149.13271	5.2
151.14804	2.1
153.12720	8.3
155.14342	1.0
159.02872	2.2
161.13208	3.6
163.14799	3.0
165.12737	7.8
167.14297	1.8
167.26114	0.8
175.14868	1.6
177.16344	2.1
177.75827	0.9
179.18054	1.0
180.27634	0.8
181.15900	1.1
187.14749	1.0
189.16394	1.3
191.17943	2.9
193.19545	6.2
195.17426	0.9
203.17911	0.8
209.19026	2.3
217.19489	2.8
221.19064	0.9
223.20506	3.8
231.05002	0.9
235.20467	1.5
273.25696	5.4
291.26791	100.0
292.27164	1.8
428.00687	1.0
475.01440	0.9
510.29489	1.1
539.31812	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.3527
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01574	4.2
51.73878	4.6
55.05515	9.3
57.07062	6.3
67.05494	24.1
69.03418	11.8
69.07058	34.9
70.06595	21.4
71.04951	7.4
71.12836	12.2
72.72825	4.0
79.05504	20.8
81.03416	12.8
81.07053	100.0
83.04951	8.4
83.08606	15.1
84.08116	11.0
85.02881	13.1
85.06509	5.8
86.09700	9.2
91.05450	19.8
93.07036	46.8
95.04961	25.7
95.08598	61.5
97.06532	10.6
97.10139	6.2
99.08065	21.7
105.07008	30.4
107.08580	36.2
109.06455	14.3
109.10152	60.5
110.66191	3.9
111.08086	12.8
111.11704	5.7
117.07008	9.3
119.08564	25.6
120.08078	6.1
121.10148	37.2
123.08073	8.0
123.11716	30.5
129.10223	7.7
131.08537	12.2
133.10117	24.1
135.08060	22.5
135.11726	25.2
137.05920	4.5
137.09604	4.7
137.13248	16.9
139.11169	22.1
143.08597	7.0
145.10107	16.0
147.08031	6.2
147.11649	16.0
149.09605	13.7
149.13232	19.3
151.11107	5.2
153.12779	4.5
155.10689	6.7
157.10114	5.3
159.11679	18.9
161.09621	4.4
161.13222	18.2
163.14832	8.9
165.12636	4.6
171.11676	5.3
173.13235	10.5
175.14740	7.5
181.12231	6.6
185.13223	7.3
187.14839	6.5
189.16304	4.8
201.16330	6.4
203.17996	4.9
213.16327	5.7
231.17517	6.9
242.72826	4.3
263.23871	5.8
269.22690	15.9
287.23538	23.6
293.24652	9.4
305.24719	44.7
323.25735	29.6
341.26718	22.0
348.03226	5.0
359.27924	27.2
581.82739	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	558.2693
Annotation	Unknow
Peak:m/z	Relative Intensity
56.92642	1.5
57.07057	4.5
70.06583	19.6
71.08618	3.5
71.52573	1.4
71.53011	2.3
88.07619	22.2
88.71233	1.2
91.05726	1.2
102.09178	14.4
110.70583	1.4
130.15836	1.4
149.02318	43.0
149.03508	3.0
160.99303	1.4
177.16531	1.4
178.43604	1.2
193.04942	51.1
200.20081	56.5
260.45044	1.5
269.04504	1.5
293.63303	1.6
294.14105	1.2
297.03918	2.7
302.00638	1.4
313.07251	3.4
319.70483	1.5
341.06616	11.0
359.07462	6.9
385.09125	53.4
385.60086	1.5
430.37323	1.3
558.26880	100.0
559.27094	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	557.3315
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	2.0
55.01844	2.7
55.05507	32.3
57.03424	1.8
57.07077	7.8
67.05504	12.0
69.03424	6.8
69.07063	36.9
69.92584	2.9
69.92992	6.7
70.06586	5.0
71.04979	2.0
71.08622	2.4
79.05479	4.5
81.03421	3.0
81.07050	36.1
83.04980	44.4
83.08615	16.8
85.02901	13.4
85.06524	1.6
87.00811	3.4
91.05450	2.8
93.07039	11.6
95.04934	1.8
95.08601	32.0
97.02875	3.3
97.06521	2.4
97.10165	4.1
99.04453	3.3
105.01847	8.5
105.07030	5.6
107.08590	13.7
109.02901	4.1
109.06516	7.0
109.10153	21.2
111.08066	16.4
111.11724	3.8
119.08575	7.2
120.08113	1.4
121.10133	12.1
123.08111	3.0
123.11691	15.0
125.09648	4.2
127.03909	8.4
133.10117	4.3
135.11691	5.6
137.13243	15.9
139.11185	4.1
145.04936	4.1
147.11662	4.4
149.13237	5.0
153.12759	7.7
153.13782	1.6
155.14305	1.6
159.02837	2.1
161.13297	2.7
163.14822	2.6
165.12772	7.1
169.04831	1.5
175.14738	2.1
177.16333	2.7
189.16420	1.8
191.17891	2.6
193.19498	7.5
195.17522	1.7
203.18031	2.0
209.18982	3.7
217.19545	4.3
220.92511	1.6
220.96759	1.6
223.20544	1.6
231.04869	3.0
273.25677	4.8
291.26797	100.0
292.27206	2.2
357.23605	1.4
479.35147	1.6
543.18585	1.6
557.28442	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	557.1479
Annotation	Unknow
Peak:m/z	Relative Intensity
57.14523	0.3
69.03440	0.4
70.06584	0.7
70.53879	0.3
71.27820	0.9
72.70116	0.4
84.08140	0.3
85.02898	0.8
86.76944	0.4
86.99337	0.8
100.32056	0.4
105.00387	1.1
105.03390	6.3
118.62366	0.4
119.01911	0.7
120.07983	0.4
123.01415	1.1
133.03526	0.6
145.06564	0.5
147.01334	0.4
159.15761	0.4
161.02969	0.9
179.06932	0.5
181.03499	0.8
199.04503	2.1
207.05048	0.6
219.06372	0.9
221.06590	0.5
223.04552	1.6
225.06064	0.7
237.06120	1.1
259.04575	0.5
289.05679	1.2
307.06561	7.9
325.07730	1.3
349.07645	7.8
363.09668	0.5
377.07520	0.5
381.11511	11.1
395.09348	3.7
423.12543	2.0
548.03955	0.4
557.14722	100.0
558.15009	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.1193
Annotation	Unknow
Peak:m/z	Relative Intensity
57.09887	1.7
69.35605	18.2
76.07421	1.8
82.99850	4.3
95.36504	1.9
101.00859	19.5
103.90801	2.2
104.54755	2.0
109.01379	2.6
113.00848	4.5
117.04002	2.6
119.01045	2.9
119.01907	57.5
127.02409	7.8
129.03899	3.0
131.01884	25.8
133.03448	2.4
137.02943	6.8
141.03944	4.3
141.27603	1.9
143.01881	32.3
145.03444	66.4
147.01453	3.4
147.05025	2.2
149.02986	5.8
155.01857	27.6
157.03436	10.3
159.04997	23.5
161.02951	42.5
163.04480	16.0
167.01878	7.7
169.03445	42.7
171.01378	5.4
171.04967	12.3
173.02954	40.8
177.06012	2.3
181.03465	10.2
183.04977	2.5
185.02934	58.2
187.04506	100.0
188.04680	2.3
189.02390	16.2
191.03975	2.3
193.03474	2.7
195.01456	2.7
197.02943	18.2
199.04512	22.4
201.06044	2.5
203.03984	19.5
207.03389	4.8
210.06209	3.3
211.04507	14.7
213.02391	17.9
213.06015	4.3
215.00443	3.6
215.03915	12.4
217.05544	2.6
221.05063	6.8
223.04504	6.7
225.02399	5.5
227.03925	12.6
229.05505	9.7
231.03481	37.1
233.01390	3.0
235.04459	2.4
243.03436	5.6
245.05045	99.3
246.05383	2.4
249.04764	2.4
253.05521	2.4
255.03377	2.5
257.01352	7.0
257.05063	5.9
261.04514	2.3
261.45282	2.1
263.06091	11.2
271.06589	21.1
273.04446	4.8
275.02454	74.5
275.06021	10.1
287.02472	27.9
291.05624	2.8
293.03491	24.8
293.07095	8.6
305.03503	31.4
305.07117	11.8
311.04474	2.2
315.05588	7.8
317.03531	3.2
333.06564	7.2
335.04578	33.1
335.08173	4.5
341.03479	8.7
359.04556	28.7
365.09305	6.3
377.05609	68.3
395.06677	98.5
437.07513	4.1
467.07870	3.2
539.10931	9.2
544.65607	2.3
557.12042	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	557.1193
Annotation	Unknow
Peak:m/z	Relative Intensity
50.80517	0.5
58.99846	2.3
69.03405	1.1
69.61651	1.9
69.62061	1.4
70.99826	1.0
77.00875	1.8
81.03379	1.7
81.99098	0.6
82.99863	3.3
85.02895	1.2
86.99303	0.9
89.00852	0.7
94.99840	1.1
96.93556	0.5
97.02852	1.5
98.97559	2.0
99.02958	0.6
100.26649	0.5
101.00864	18.7
103.02419	1.5
105.00351	1.3
106.80159	0.6
109.01430	2.3
109.02855	2.3
113.00841	4.0
115.02406	1.5
116.98662	0.5
117.03977	3.1
119.01907	66.8
120.01973	1.4
121.03465	0.9
124.02419	0.8
127.02373	5.8
128.98489	0.5
129.00351	1.0
129.03957	1.6
131.01897	26.9
132.01920	0.8
133.03439	2.1
135.05051	2.8
137.02933	13.3
139.02386	2.2
141.03961	3.2
142.03493	1.7
143.01881	33.5
144.02042	0.6
145.03448	63.9
146.03581	1.9
147.01353	3.5
147.05002	3.7
149.02969	5.1
153.00316	0.5
153.03906	1.3
154.03400	0.8
155.01877	22.3
156.01984	0.7
157.02232	0.9
157.03455	11.9
159.05014	20.7
160.05159	0.8
161.02943	58.8
162.03062	1.6
163.04510	17.6
165.02409	0.9
167.01886	8.4
168.04994	1.3
169.03448	41.3
170.03606	1.1
171.01378	3.7
171.05009	12.3
173.02946	44.8
174.03041	1.3
175.04482	3.7
177.06085	1.8
179.01875	3.0
179.04002	1.1
181.03450	6.4
183.01324	0.6
183.05003	3.5
184.04526	2.3
185.02939	60.8
186.03177	1.0
186.06039	0.5
187.04503	91.7
188.04716	2.9
189.02415	18.6
189.06053	3.2
190.02527	0.6
190.73283	0.6
191.02425	0.6
191.03960	3.3
193.03513	1.1
195.01396	1.2
195.04965	1.4
196.04605	1.1
197.02937	21.0
197.06599	1.5
198.03217	0.7
199.02621	0.8
199.04503	16.8
200.04605	0.7
201.02393	1.9
201.06084	2.2
203.03981	25.5
204.04253	0.7
205.01888	0.9
205.03661	0.6
205.05521	1.2
207.03384	4.2
208.04539	1.1
209.02919	2.6
210.06065	3.5
211.04504	13.9
211.06538	0.9
213.02444	16.0
213.05869	3.4
215.00420	2.2
215.03979	15.4
217.05595	2.3
219.03511	0.9
221.03036	0.9
221.05051	6.6
223.04523	4.4
225.02383	5.4
226.05598	0.8
227.04012	10.0
229.01895	0.9
229.05556	8.5
230.34215	0.5
231.03484	33.9
232.03752	1.1
233.01375	2.2
233.04933	0.9
236.04088	0.7
237.02562	1.2
239.00217	0.7
239.03961	1.8
241.05589	1.2
243.03511	5.4
245.05049	100.0
246.05310	4.4
247.03062	0.6
249.04576	1.9
251.02533	1.5
253.05502	1.5
254.04965	0.9
255.03479	2.0
257.01367	7.9
257.05069	4.2
261.04745	1.1
261.08145	0.8
263.06091	15.1
267.03510	1.6
269.01407	1.0
269.04819	0.6
271.06573	17.9
272.06726	0.8
273.04633	3.0
275.02457	69.5
275.06015	12.8
276.02768	2.0
285.04678	0.9
286.07718	0.9
287.02448	25.0
289.07581	3.1
291.05545	1.7
293.03500	26.0
293.07104	6.3
297.04633	1.8
299.02469	1.5
305.03491	26.0
305.07144	11.3
306.03900	0.9
310.02185	0.6
311.04611	2.0
315.05594	5.9
316.05124	2.2
317.03516	3.1
317.06772	1.4
323.04404	2.1
333.06577	3.5
335.04596	32.3
335.08197	5.4
336.04749	0.9
341.03470	5.5
347.08179	1.4
359.04562	24.9
360.04550	1.0
365.09253	9.1
377.05606	59.0
378.05734	2.4
383.10162	0.6
392.81830	0.6
395.06677	87.6
396.06955	2.5
398.86417	0.7
413.07602	1.2
418.08179	0.8
437.07828	0.7
467.08582	1.5
521.09985	1.6
539.10730	7.6
557.12042	32.1
558.12054	1.4
574.39642	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.329
Annotation	Unknow
Peak:m/z	Relative Intensity
55.49422	0.5
56.05011	0.7
58.06590	0.6
60.08157	5.4
60.90372	0.5
70.06577	1.1
71.07352	2.6
71.35403	1.0
80.57359	0.5
81.07034	0.8
86.09694	29.6
98.98453	2.5
104.10710	3.9
124.07238	0.5
124.99988	18.3
130.87671	0.5
184.07320	100.0
185.95685	0.5
220.85919	0.5
237.93771	0.5
287.95590	0.6
390.18097	0.5
534.31836	1.5
552.33051	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	553.1158
Annotation	Unknow
Peak:m/z	Relative Intensity
65.79104	0.9
69.23308	11.2
69.23670	1.0
73.36828	0.9
82.06580	1.7
85.02901	1.2
98.21544	2.1
104.15889	0.9
114.89853	1.2
131.01985	1.1
148.14911	0.9
149.08055	1.0
161.02911	2.3
173.02832	0.9
184.67059	1.0
185.02931	1.9
185.42680	0.9
201.07732	1.1
210.94153	2.5
228.94322	1.8
240.43063	1.2
245.05006	2.6
247.03360	1.9
259.03555	1.6
270.95255	1.2
273.01358	1.5
317.00375	1.8
318.39413	1.2
335.01175	1.3
373.09860	4.3
377.02643	2.0
391.11041	1.2
439.98071	1.0
553.11609	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.2648
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	1.6
55.01856	1.1
55.05507	1.6
57.03424	1.5
57.07075	1.0
60.08154	1.7
61.02904	1.8
67.05505	4.3
69.03423	14.2
69.07054	3.4
69.22707	0.9
70.06580	1.7
71.13912	2.1
72.24066	0.9
73.02915	4.3
79.05489	7.1
81.03415	5.4
81.07048	100.0
85.02895	15.5
86.09701	11.0
87.00817	5.1
87.04461	2.7
93.07049	1.6
95.08603	12.9
97.02885	23.2
99.04446	4.1
100.11275	1.1
104.10715	2.2
105.01863	6.1
107.08585	1.3
109.02873	2.8
109.10149	2.0
115.03915	7.8
117.91476	0.8
124.99982	6.2
127.03898	20.2
133.04973	2.3
137.13237	24.4
145.03902	1.8
145.04947	17.0
184.07323	32.0
201.03979	2.1
219.05011	2.7
220.31902	0.9
231.04955	12.0
249.06058	9.9
345.07935	1.1
552.29132	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.2649
Annotation	Unknow
Peak:m/z	Relative Intensity
51.68275	1.4
51.75077	1.3
53.03943	3.0
57.00047	1.2
57.03418	2.2
57.07052	2.2
60.50084	1.2
67.05489	4.2
69.03424	15.6
69.07054	4.6
70.06589	2.0
71.04965	1.8
71.30120	2.3
73.02879	1.4
79.05486	5.6
81.03417	4.3
81.07045	100.0
82.53813	1.4
84.04486	1.5
84.08134	1.6
85.02895	12.2
86.09685	2.4
87.00823	3.7
87.04460	4.5
93.07050	2.6
95.08595	16.8
97.02885	30.7
99.04434	5.8
100.94695	1.4
105.01842	6.7
105.03411	1.4
109.02840	2.0
109.10135	3.4
115.03912	10.2
127.03903	17.5
133.04950	7.4
137.13243	24.3
145.04939	17.0
177.05559	1.5
201.03905	2.3
221.66687	1.4
231.04976	7.5
249.05930	2.7
269.20996	1.7
393.88586	1.5
409.62711	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.2822
Annotation	Gln Phe Glu Lys
Peak:m/z	Relative Intensity
58.92302	0.3
60.52271	0.3
69.34064	2.6
70.06590	0.4
77.60172	0.3
98.68954	0.3
133.03526	0.4
136.34680	0.3
166.50708	0.3
203.05290	0.9
259.07916	1.0
333.19061	2.1
359.01892	0.4
371.21826	0.3
375.20059	0.7
389.23050	1.7
491.47186	0.3
551.28229	100.0
552.28522	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	551.2824
Annotation	Unknow
Peak:m/z	Relative Intensity
54.92353	0.4
55.58759	0.5
93.47624	0.4
176.54558	0.5
225.12285	0.5
243.73506	0.7
333.19046	1.1
389.23102	1.4
437.50345	0.6
551.28229	100.0
552.28467	4.3
577.52863	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.1916
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01581	0.2
51.02371	0.4
53.03938	1.7
53.05567	0.2
57.03433	0.7
67.28443	0.2
69.03416	0.4
70.20592	0.2
71.13708	0.5
71.79680	0.2
77.03930	0.9
79.05476	1.1
84.20203	0.2
85.02893	2.2
95.01327	0.8
95.04958	2.4
97.02885	0.7
105.03381	100.0
106.03720	0.4
113.02355	0.4
123.04422	4.0
127.03932	0.4
141.01826	2.1
141.13531	0.3
179.07018	28.7
197.08073	42.5
198.08505	0.4
337.09140	0.6
341.44467	0.2
355.10074	0.8
426.23907	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.0705
Annotation	Unknow
Peak:m/z	Relative Intensity
52.18311	0.9
56.96560	60.5
58.48818	0.9
58.69659	0.9
68.95376	0.9
70.81089	1.0
70.81418	2.6
71.13843	1.0
74.97606	13.1
81.14940	1.0
84.96026	9.5
86.97591	2.7
91.05465	1.0
92.98630	1.6
97.99160	1.1
98.97581	1.3
102.97035	1.9
111.54485	0.9
114.97098	2.3
115.97850	1.8
132.98077	7.4
147.01213	1.5
150.99132	35.6
153.81459	1.1
155.35104	1.1
165.02223	1.3
168.00955	1.5
169.00208	21.3
169.01614	1.5
170.99619	1.5
174.00722	2.0
175.00623	1.8
181.01703	3.1
182.94019	1.2
183.03253	3.6
185.01228	3.1
187.02791	1.7
193.01712	51.1
197.01254	1.7
199.02753	1.8
201.04347	6.7
203.02246	3.0
208.99669	4.6
211.02762	100.0
212.03108	1.6
213.00635	1.4
221.01299	1.2
222.99174	4.8
223.02774	3.8
227.02271	4.3
229.03804	7.5
234.04364	5.3
237.00697	3.9
239.02242	2.5
241.03764	2.0
245.03342	9.2
251.02296	8.5
255.01746	27.2
257.03323	2.1
267.01660	2.8
269.03305	16.7
273.02765	9.2
278.03421	1.3
285.02814	1.3
287.04324	3.9
295.01178	22.5
295.04184	1.9
304.01904	1.2
309.02774	4.3
311.05792	1.4
313.02264	63.3
314.02637	1.8
317.06885	1.5
327.03937	2.0
329.07034	1.4
331.03354	17.7
336.03955	7.7
339.05356	2.2
351.70062	1.2
355.04733	1.5
357.06372	2.3
371.02884	7.6
399.03802	8.9
401.05835	1.3
413.05487	9.2
417.04819	16.8
424.69104	1.1
431.06570	3.4
435.05899	3.4
440.06577	2.3
475.05179	4.7
493.05914	1.4
551.06958	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	548.3425
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	22.8
57.03416	7.6
57.07060	13.8
59.90429	3.7
67.05498	89.1
69.07063	33.2
69.40200	35.3
71.08627	5.9
79.05488	24.4
81.06591	6.0
81.07053	100.0
83.08610	21.2
85.02896	4.7
91.05479	22.8
93.07024	26.0
95.01305	9.2
95.08595	86.8
97.06513	10.5
97.10146	16.0
98.21555	8.1
105.07018	14.0
107.08564	26.9
109.10150	45.1
111.08077	7.3
111.11721	6.3
113.09611	4.8
119.08571	15.8
121.10139	31.9
123.11688	25.9
133.10123	19.5
135.11684	15.3
137.13206	10.0
141.01770	8.6
141.12761	7.4
147.11696	9.6
149.13278	7.6
151.14777	9.8
155.14305	8.0
161.13232	14.5
163.14824	12.9
165.16377	11.0
175.14795	9.2
179.14288	4.2
179.17960	7.6
222.14453	3.9
237.07474	6.0
245.22632	73.1
263.23688	90.6
265.25137	4.8
337.27344	65.6
355.28296	6.7
408.39240	3.8
513.30127	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	547.3108
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	37.6
57.03431	6.9
59.20050	6.5
67.05502	21.7
69.07092	7.7
69.65702	48.8
70.06612	8.5
71.04987	6.7
73.04581	7.3
79.05488	20.7
79.99329	6.3
81.07052	29.3
83.04967	16.3
83.08614	18.6
91.05464	17.7
93.07018	21.0
95.04964	60.8
95.08620	16.2
97.10155	11.7
105.07012	16.5
107.04967	8.7
107.08572	27.3
109.10116	13.3
111.04417	16.6
117.06991	10.6
119.08572	11.9
121.10140	19.4
125.09535	7.7
131.08614	11.2
133.10152	8.2
133.73540	6.7
135.07991	7.0
145.10094	12.8
147.08096	7.3
149.09605	25.3
156.70003	7.4
159.11658	11.2
163.11148	14.2
189.11174	9.3
204.68074	7.6
223.13310	38.5
275.20074	55.1
282.11475	7.8
293.21115	32.7
367.24796	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.1445
Annotation	Afrormosin 7-O-(6''-malonylglucoside)
Peak:m/z	Relative Intensity
58.60624	0.4
67.05502	0.4
69.03420	0.9
70.06572	1.3
71.04991	0.6
71.52795	0.4
72.08114	0.4
76.94376	0.4
79.05495	0.6
81.03436	0.5
81.07040	1.3
84.08135	0.8
85.02899	1.1
86.09702	0.7
93.07054	0.4
95.04940	0.8
95.08620	0.5
96.59528	0.4
97.02894	0.6
103.05399	0.4
105.03353	0.6
105.07018	0.8
107.08537	0.5
108.02066	2.7
117.07802	0.4
119.08591	0.7
120.08131	0.5
130.74155	0.4
135.11728	0.6
136.01540	0.9
146.99646	0.4
150.96838	0.4
154.02588	1.8
164.65860	0.5
170.99599	0.4
181.06407	0.6
210.06721	5.0
234.98985	1.0
238.06229	31.5
239.06680	0.8
249.02794	0.5
254.05711	0.5
255.06551	1.0
266.05728	33.1
267.06216	0.5
269.04520	0.5
277.00018	0.4
283.05966	0.7
284.06775	22.4
299.09116	100.0
300.09470	1.7
379.03113	0.8
461.14410	1.1
487.18201	0.8
495.56442	0.4
547.13788	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	546.3269
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	13.2
65.06050	5.2
67.05495	19.5
67.23385	4.9
70.12449	22.2
70.12870	9.1
71.79266	6.2
79.05489	14.0
80.40260	6.3
81.03432	7.9
81.07037	20.5
83.04971	5.5
85.02871	10.4
91.05450	18.1
93.07032	25.6
95.04967	6.5
95.08585	17.5
95.21391	6.0
98.20819	5.7
105.07008	22.8
107.08558	18.0
109.10076	7.9
119.08575	16.0
121.06474	13.1
121.10097	6.6
127.03915	21.2
131.08553	19.9
133.10094	13.4
135.11681	6.7
147.08018	6.6
159.11696	7.6
173.13286	8.3
220.00990	6.0
257.18945	12.7
275.20026	100.0
293.21136	28.7
331.18881	6.0
335.22238	9.1
349.23721	52.5
367.24896	13.9
419.24121	20.5
437.25037	35.1
529.72406	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	546.327
Annotation	Unknow
Peak:m/z	Relative Intensity
65.34763	10.5
69.25926	66.0
69.26347	41.0
91.05472	13.7
96.65139	11.2
104.19596	11.5
128.69350	10.5
159.71332	10.5
194.77405	12.2
219.04260	12.3
275.20035	30.3
320.83469	11.3
339.32541	11.1
349.23709	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.1442
Annotation	Afrormosin 7-O-(6''-malonylglucoside)
Peak:m/z	Relative Intensity
50.42606	0.2
56.05025	0.3
69.07077	0.6
70.06578	1.9
70.83506	0.5
70.83853	0.3
72.08141	0.7
79.05497	0.4
81.07047	0.6
84.08125	0.9
84.68858	0.2
85.02929	0.4
85.68143	0.3
86.09682	2.4
91.05474	0.6
93.07025	0.3
95.05001	0.3
95.08614	0.6
105.03376	2.6
105.07005	0.4
107.04950	0.6
108.02072	0.6
109.06485	0.3
109.10157	0.5
120.08076	0.7
121.10133	0.4
123.04498	0.3
129.10178	0.6
131.08488	0.4
132.08073	0.4
133.10086	0.5
136.07529	0.4
137.05997	0.6
139.00316	0.4
143.04521	0.3
145.10150	0.3
154.02580	0.7
160.86609	0.3
167.07063	0.7
171.11435	0.3
171.87515	0.3
181.06453	0.4
203.05229	0.5
209.05795	0.3
210.06717	2.8
237.05493	0.7
238.06216	10.1
239.06924	0.6
241.04942	9.0
253.04958	0.4
255.06618	0.9
265.04959	4.6
266.05722	39.4
267.06189	1.2
269.04431	15.2
274.11752	0.5
283.06027	0.5
284.03574	0.3
284.06760	10.5
299.09106	100.0
300.09470	1.9
361.92944	0.3
367.27933	1.2
529.18500	0.5
547.20355	0.5
547.34485	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	546.3187
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	1.5
55.05486	4.3
57.03421	3.0
57.07055	2.6
67.05514	5.9
69.07056	6.9
69.80282	7.7
71.08616	4.1
79.05477	3.6
80.51122	1.3
81.07041	13.0
83.04953	2.3
83.08610	3.8
91.05472	3.8
93.07033	7.0
95.08590	7.3
97.06523	2.1
97.10150	1.6
98.20855	2.3
98.98425	3.0
99.08075	1.6
99.74319	1.3
105.07000	8.4
107.08588	6.9
109.06498	5.5
109.10120	3.2
119.08557	6.6
121.10126	3.8
123.08054	13.4
123.11751	1.3
131.08553	3.3
131.59595	1.3
133.10129	9.2
135.08034	8.1
135.11649	2.2
137.09599	2.0
145.10085	3.0
147.11671	5.9
149.09550	1.5
149.13245	2.7
159.11687	2.6
161.13173	1.3
175.14789	6.9
177.12730	3.3
179.14270	17.5
191.14343	1.4
205.15834	3.3
216.06227	1.4
263.19925	2.0
275.20105	1.7
289.21552	9.6
293.21106	2.4
303.26721	1.5
331.26266	12.2
349.27328	5.5
361.27563	1.8
374.30539	2.5
387.28815	5.9
405.29947	100.0
406.30090	2.7
503.27393	3.8
529.55701	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	546.3185
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	1.0
55.05509	4.8
57.03413	3.0
57.07052	1.7
62.06074	1.1
64.00012	0.7
67.05498	7.1
68.79266	0.7
69.07058	6.9
70.12449	1.8
70.12854	1.9
71.04988	0.8
71.08618	4.5
79.05479	4.3
81.07044	11.7
83.04945	1.2
83.08612	2.6
85.06511	1.3
90.20606	0.7
91.05478	3.8
93.07034	8.8
95.08595	9.2
97.06507	2.7
97.10091	0.6
98.98450	2.8
99.08089	2.2
101.20240	0.8
105.07016	6.5
107.08586	8.2
109.06503	8.6
109.10132	2.6
111.08074	1.2
117.06985	1.6
119.08569	8.2
121.06495	0.8
121.10139	4.2
123.08051	15.4
123.11678	2.7
125.09641	1.1
131.08502	3.8
133.10100	7.1
135.08037	7.9
135.11682	2.4
137.09576	1.8
137.13148	1.1
145.10110	3.5
147.11624	4.7
149.09581	2.4
149.13254	1.9
157.10094	1.0
159.11665	3.0
161.09648	1.1
161.13211	2.2
167.14334	1.2
173.09599	1.1
173.13307	1.3
175.14806	8.2
177.12682	3.4
177.16298	0.8
179.14276	21.4
187.14819	1.2
191.14253	0.8
193.15851	0.9
198.05237	1.0
199.15024	0.7
201.16290	0.8
205.15839	4.5
216.06351	1.4
231.15886	1.2
247.20758	0.8
248.24626	0.6
261.22015	1.3
263.20044	1.8
271.20590	1.0
275.20123	1.5
289.21606	7.4
293.21024	2.0
303.26816	1.5
307.22849	0.8
319.22595	1.5
328.14386	0.8
328.75604	0.7
331.26218	13.2
334.16269	0.7
337.23819	0.9
349.27377	6.1
361.27429	1.3
369.27859	1.5
374.30527	1.0
375.28711	1.8
387.28815	6.7
405.29947	100.0
406.30258	2.9
429.08066	0.7
503.27542	4.7
546.31598	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	542.2803
Annotation	Unknow
Peak:m/z	Relative Intensity
50.36202	1.2
53.03915	1.4
55.01859	4.1
55.05502	2.9
57.03425	4.0
57.07059	2.1
61.02916	4.4
67.05500	8.0
69.03419	10.6
69.07062	8.1
69.88513	6.8
70.06590	2.3
71.04978	4.6
72.08151	1.0
73.02889	1.9
73.46340	1.1
78.16111	1.0
79.05479	1.4
81.03416	3.4
81.06650	1.4
81.07053	15.2
83.04959	1.9
83.08578	1.0
84.84618	1.0
85.02899	56.3
85.06538	8.0
86.09698	2.2
91.03928	1.7
91.97005	1.2
93.07037	5.7
95.08599	19.7
97.02885	14.3
97.06490	1.8
98.21443	1.4
99.04429	2.6
105.07034	11.0
106.63165	1.1
107.08598	16.4
108.08897	1.5
109.02863	5.8
109.06517	2.3
109.10146	25.3
110.10537	1.4
111.08060	2.1
113.05984	6.8
119.08576	3.2
120.08093	1.3
121.10169	2.6
123.08102	1.5
123.11663	3.8
125.09628	18.9
127.03909	15.3
127.07524	4.0
137.13228	12.3
145.04948	19.4
145.39072	1.1
147.11659	19.7
152.59689	1.1
163.06021	11.1
165.12738	37.5
171.93233	1.3
179.04701	1.2
183.13791	100.0
184.14029	2.5
201.14813	15.5
264.79294	1.3
292.36484	1.2
295.93442	1.1
392.51147	1.5
521.92017	1.1
542.23120	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	543.1317
Annotation	Unknow
Peak:m/z	Relative Intensity
60.85959	0.6
69.17612	0.6
71.39823	0.9
80.42392	0.6
89.90118	0.7
106.68266	0.6
127.69909	0.7
131.83144	0.9
139.00783	1.0
139.59523	0.6
161.02992	1.0
187.01865	0.9
190.02377	0.9
202.02299	0.8
232.03491	3.1
245.04921	1.3
247.04036	0.8
281.43304	0.7
363.08426	1.1
381.07855	18.3
383.07272	0.6
383.63406	0.8
543.13165	100.0
544.13641	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	545.2955
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	13.6
55.01864	20.9
55.05503	58.3
56.44833	3.8
57.03434	25.1
61.02920	70.4
64.57466	4.6
67.05496	60.2
69.03410	42.0
69.07065	43.8
69.22919	45.9
70.06595	13.9
71.05000	14.3
73.02907	38.3
79.05486	64.7
81.03404	44.5
81.07048	95.9
83.04965	23.7
83.08625	28.2
85.02900	71.5
85.06552	8.4
86.09708	6.3
91.03946	29.2
91.05466	40.6
93.07034	54.6
95.04955	28.6
95.08612	40.6
97.02885	41.7
97.06548	13.3
97.10166	41.2
98.21472	9.0
99.04486	12.1
99.08109	19.6
101.02387	10.7
103.03997	6.8
105.07037	40.2
107.04933	20.4
107.08594	40.2
109.02899	15.4
109.06547	19.0
109.10144	32.2
111.04430	24.7
111.08112	13.3
115.07563	5.5
117.07032	17.1
119.08573	34.0
121.06508	17.8
121.10136	27.0
123.08062	43.8
125.09604	43.3
127.03900	25.1
127.07516	5.8
128.06227	6.1
129.07034	10.8
131.08594	19.6
133.06514	8.7
133.10129	18.4
135.08078	17.6
135.11676	15.9
137.09636	10.9
139.11195	4.9
140.36493	5.0
143.08588	8.5
145.04956	6.2
145.10114	32.2
147.08086	18.1
147.11713	17.6
149.09630	14.0
149.13231	4.5
153.12767	4.4
157.10190	12.2
159.08084	4.7
159.11729	14.9
161.09593	11.6
163.11194	28.9
165.09119	13.7
171.10251	3.8
171.11751	12.1
173.09735	7.5
173.13271	4.3
175.11240	10.1
177.12805	8.7
181.12311	9.3
183.06584	8.5
183.11670	7.3
185.13208	7.4
189.11209	63.2
189.64485	4.3
191.10683	15.0
193.12315	11.4
201.96782	4.1
209.11685	5.9
210.34799	4.7
211.13306	9.8
223.13387	5.8
227.12730	37.1
245.18997	11.5
263.20093	9.1
273.18460	68.5
291.16507	3.5
291.19507	100.0
309.20752	10.5
347.22180	11.1
349.63757	4.1
365.23254	37.1
383.24234	62.2
389.23166	6.6
545.32410	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	541.3885
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84562	2.1
53.03945	13.0
55.01868	4.4
55.05510	34.8
57.03439	3.3
57.07069	14.3
65.03934	5.2
67.05500	98.0
69.03440	3.2
69.07066	23.8
70.06598	10.9
71.04988	6.7
71.08635	6.1
71.53421	3.0
72.48064	2.3
73.06588	2.9
79.05487	100.0
81.03417	11.3
81.07050	77.4
83.04966	13.4
83.08631	11.9
85.06546	5.7
85.10191	3.3
88.07613	17.1
88.64680	3.0
91.05473	83.3
91.06018	4.4
93.07040	93.3
93.07634	4.8
95.04956	29.7
95.08601	51.1
97.06521	6.0
97.10198	3.9
102.09191	11.0
103.05470	3.9
104.98839	2.4
105.04557	2.8
105.07022	51.2
105.07693	3.7
107.04953	6.4
107.08592	36.1
107.09224	3.9
109.06527	8.1
109.10168	15.9
115.05488	2.4
117.07006	18.1
119.08560	37.8
121.06525	5.0
121.10139	23.7
121.92731	2.5
123.08092	8.7
129.06967	13.1
131.08582	14.9
133.10117	17.6
135.11708	13.8
141.09116	2.7
143.08539	15.6
145.10117	15.1
147.08080	3.4
147.11667	43.7
147.12602	3.1
149.13239	4.5
159.11768	8.5
161.09598	5.3
161.13249	17.7
163.11172	3.1
171.11679	34.9
173.13217	6.7
185.13249	3.0
189.12686	14.3
207.13800	27.9
256.26331	23.6
257.26746	12.5
261.22122	4.9
283.26367	4.3
284.29459	4.7
285.29965	2.9
311.29367	23.3
312.29749	18.0
446.22488	2.8
540.53192	20.4
541.39044	95.1
541.53711	89.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	542.2598
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	1.6
55.05497	3.2
56.04996	1.3
57.67012	1.3
67.05486	1.7
69.03422	2.9
69.07059	2.4
70.06598	7.6
71.20126	1.2
71.52362	2.4
72.08160	2.9
79.05470	2.6
81.03411	2.2
81.07040	3.6
83.04978	1.6
84.08142	1.9
85.02901	12.3
85.06530	1.8
86.09702	4.0
91.05460	3.8
93.07032	2.8
94.04207	1.3
95.04951	1.5
95.08599	5.8
97.02888	4.7
103.05431	7.3
105.07033	7.2
107.08589	1.7
109.06525	2.4
109.10158	6.0
117.07014	1.4
121.06500	5.5
121.10123	2.0
122.01799	1.5
122.03666	3.7
123.08106	1.4
125.06017	2.5
127.03951	1.7
131.04901	7.9
133.06473	16.6
135.08051	5.6
136.07510	1.5
137.05969	100.0
137.09573	2.3
140.07028	1.6
140.10634	1.5
145.04919	3.2
145.06493	3.7
147.08073	2.3
149.05971	5.1
151.07576	6.2
155.10709	1.7
157.06445	2.5
158.11688	2.4
163.07539	26.4
163.08841	2.7
165.09088	2.9
165.91339	1.5
171.08128	1.9
174.06767	1.7
174.10704	1.6
175.07617	1.5
177.05453	2.6
181.08611	1.7
189.09151	3.0
193.08572	1.3
201.11211	5.8
203.10619	3.0
209.08116	7.9
210.08470	2.1
211.09666	4.7
242.45935	1.2
249.11217	1.6
257.56982	1.6
263.10553	1.7
295.13235	15.7
312.14432	3.4
327.15897	22.1
345.16751	2.3
348.16568	3.3
382.61008	1.4
542.21844	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.3586
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01846	2.1
55.05504	12.5
57.07063	4.8
63.78769	2.0
67.05505	20.8
69.03419	8.6
69.07063	39.4
70.06599	19.6
71.05000	17.3
71.52378	3.5
72.08160	5.9
73.06557	3.8
79.05479	10.5
81.07053	60.6
83.04965	2.5
83.08616	8.3
84.04493	3.0
84.08148	8.2
85.02892	9.1
85.06533	20.8
85.13580	2.5
86.09715	11.3
89.04415	2.6
91.05476	11.1
93.07038	27.1
95.04956	5.6
95.08600	42.8
97.02924	2.6
97.06528	27.0
97.10188	4.9
99.04461	2.5
99.08101	17.4
101.05939	2.1
105.07028	18.8
107.08575	29.9
109.06508	4.3
109.10149	52.3
110.10551	2.2
111.08079	52.1
113.09673	2.2
114.69498	2.6
115.07587	12.4
119.08601	13.5
120.08097	9.6
121.10120	28.4
123.08028	2.8
123.10313	2.4
123.11690	25.9
125.09636	5.8
127.03978	3.0
129.10239	4.3
131.08504	3.0
133.10107	13.9
135.11705	14.7
136.07555	10.1
137.05960	2.7
137.09607	18.1
137.13251	7.3
139.11176	39.7
145.10085	2.8
147.11682	19.6
149.13245	10.1
151.11156	5.7
153.12733	8.1
159.11670	3.5
161.05939	2.5
161.13269	8.0
163.14841	7.0
165.09151	12.2
165.12752	7.0
166.08504	3.0
169.12259	4.0
175.14767	5.0
177.05374	2.5
177.16383	8.2
183.13750	2.9
189.16374	2.7
191.18044	4.7
193.08537	4.5
193.19615	2.7
201.16301	2.9
203.17876	15.3
209.08147	3.6
211.09628	5.8
211.20558	4.2
221.18983	13.8
239.20042	100.0
258.10574	2.4
263.14014	3.5
271.24411	4.1
276.10428	3.6
277.25241	2.5
289.25296	10.4
295.26276	2.9
307.26282	66.8
309.13306	4.4
325.27390	19.4
343.28281	10.5
352.06161	2.3
361.29486	10.5
379.30557	4.7
401.88815	2.8
541.22327	17.4
542.22253	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	541.2644
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	9.8
54.07545	5.3
55.01859	20.2
55.05508	73.7
57.03439	11.6
67.05501	65.0
68.99793	8.2
69.03438	6.9
69.07054	33.7
70.84261	17.8
79.05487	58.2
81.03403	8.1
81.07049	64.9
83.04967	11.5
83.08613	75.3
86.13476	5.8
86.86533	5.2
91.05473	67.3
93.07035	62.0
95.04957	34.7
95.08588	53.7
97.06511	14.1
97.10177	6.2
105.07034	52.2
107.04933	33.3
107.08547	30.0
109.06496	8.6
109.10156	16.5
111.00797	7.6
111.08060	24.3
117.06970	29.8
119.08567	32.6
121.06492	7.1
121.10144	29.4
123.08065	7.3
125.09607	7.5
129.01820	22.4
129.07005	6.7
131.08601	25.4
133.10110	35.7
134.74815	5.9
135.11696	17.3
143.08585	7.6
145.06468	9.3
145.10130	40.2
147.02859	6.5
147.08022	8.0
147.11652	20.6
149.09595	48.6
159.11665	15.1
161.09673	8.0
161.13290	11.0
163.11180	56.2
165.12810	8.4
169.09933	6.3
173.09558	7.0
177.12778	10.4
179.14294	5.9
183.11690	7.2
187.11194	6.2
187.14774	8.4
191.10646	6.0
228.12061	5.8
239.17978	20.1
257.18997	22.6
258.49292	5.3
275.20047	100.0
293.21136	25.4
330.26804	6.2
349.23859	48.1
401.05966	5.7
497.26437	7.7
541.26581	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	541.2641
Annotation	Unknow
Peak:m/z	Relative Intensity
50.72104	1.8
53.03941	2.5
55.01867	4.8
55.05503	14.3
57.03418	7.5
59.21483	1.6
59.78327	1.7
65.03915	2.4
67.05499	37.2
68.99780	10.2
69.07062	16.7
71.04714	2.4
71.05034	3.1
72.71063	1.5
79.05486	34.8
79.85521	1.5
80.39375	1.9
81.03396	2.2
81.07050	100.0
82.50484	1.9
83.04984	3.6
83.08610	11.8
85.06544	2.6
91.05466	35.4
93.07035	23.3
95.04964	8.7
95.08601	24.1
97.06521	6.3
97.10176	2.0
99.08098	2.8
103.01525	1.8
105.07018	32.5
107.04942	8.0
107.08575	19.5
109.06516	20.0
109.10149	9.8
109.40862	1.9
110.80078	1.8
111.00775	6.1
111.08047	4.1
115.00312	2.8
117.07016	5.1
119.08568	22.8
121.06496	2.7
121.10135	13.6
123.08060	6.5
123.11691	5.6
125.09573	2.7
129.01833	13.6
129.06976	3.7
131.08499	11.6
133.10114	16.7
135.08060	3.6
135.11682	4.9
137.09569	3.6
139.00230	6.2
143.08551	2.5
145.10100	10.3
147.11691	26.5
149.09627	9.9
149.13251	7.4
151.11203	3.4
152.70886	1.9
157.01288	4.0
157.10114	5.5
159.11688	7.8
161.13269	4.0
163.11166	6.8
165.12726	14.2
169.10164	2.1
171.11655	3.7
173.09682	2.0
173.13245	5.9
175.11180	6.2
177.12750	3.2
187.14726	2.3
193.12198	3.4
229.19620	4.5
239.17937	5.0
247.20566	3.4
249.06291	2.2
257.19025	11.3
262.93933	1.7
275.20047	84.9
293.21082	25.1
349.23633	6.5
367.24738	3.5
403.21207	5.2
449.21619	2.5
541.26147	7.3
551.67279	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.264
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	3.3
54.92967	0.8
55.01873	5.4
55.05509	14.2
55.27250	0.8
57.03429	7.8
57.04154	0.9
57.07079	1.3
61.66558	0.9
65.03934	2.9
67.05500	37.2
68.99780	12.0
69.03423	1.3
69.07063	17.8
69.46333	1.1
69.77627	6.0
70.06597	1.4
71.04980	3.5
79.05486	37.9
81.03416	3.4
81.07051	100.0
83.04977	5.6
83.08613	10.6
83.85979	1.0
85.02876	1.1
85.06540	2.3
91.05474	33.1
93.07041	27.2
95.04961	10.7
95.08604	25.1
96.10309	0.9
96.36430	1.0
97.06539	8.5
97.10168	1.2
98.21491	1.9
99.08088	4.2
101.06039	0.9
105.07024	39.7
107.04955	7.3
107.08582	19.3
109.06512	20.2
109.10147	9.5
111.00801	6.2
111.08080	5.7
115.00291	1.5
117.07008	6.1
119.08570	27.5
121.06503	5.2
121.10128	16.5
123.08060	8.7
123.11686	8.0
125.09670	1.5
127.07578	1.2
129.01816	16.0
129.07011	2.1
131.08559	12.8
133.06401	1.7
133.10123	18.3
135.08061	4.9
135.11676	7.1
137.09564	4.6
137.13268	1.6
139.00269	9.0
142.07819	1.4
143.08530	2.3
145.10123	11.0
147.08020	2.8
147.11682	34.5
149.09592	9.2
149.13248	6.8
151.11177	2.0
155.08498	1.1
157.01341	4.4
157.10065	4.4
159.11696	9.0
161.09608	2.1
161.13248	3.4
163.11165	8.0
163.14832	1.7
165.12752	15.5
165.14003	1.7
169.10060	1.5
171.11708	2.4
173.13252	3.8
175.11192	6.4
175.14819	1.7
177.12755	3.8
179.10512	1.1
179.14252	1.5
183.11668	2.2
185.04379	1.5
187.11182	2.0
187.14804	1.0
189.16437	1.3
191.14317	1.7
193.12219	6.4
195.13779	1.2
197.13177	1.3
200.26302	1.1
205.15800	1.3
207.13676	1.6
211.13068	1.1
213.16243	1.5
215.14354	1.5
215.17970	1.9
217.95897	1.0
229.14297	1.6
229.19511	3.3
239.18010	3.5
247.20576	6.6
257.18951	10.7
267.15884	2.3
275.20044	84.6
293.21121	23.1
349.23654	9.0
367.24634	4.2
387.20731	1.0
403.21091	4.7
449.21765	4.9
505.24246	1.2
523.25055	3.8
541.26251	7.7
568.34760	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.5345
Annotation	Unknow
Peak:m/z	Relative Intensity
50.83360	0.4
53.97521	0.4
54.73973	0.4
55.05500	1.4
57.07068	16.1
57.47416	0.4
58.06591	1.1
67.05485	1.9
69.07053	2.4
70.06583	13.5
71.08623	7.8
73.02914	1.2
74.06057	0.4
81.07047	2.5
83.08614	2.0
85.10164	3.4
88.07620	17.1
89.06021	1.7
95.08600	3.5
96.28287	0.4
97.10159	1.2
102.09169	13.4
106.08652	0.6
109.10149	1.1
111.11675	0.4
122.58132	0.4
133.08620	0.9
166.43576	0.4
171.46573	0.4
212.23761	0.7
213.38237	0.4
256.26324	38.5
257.26764	0.5
274.27411	3.5
280.51315	0.5
283.26263	9.4
284.29437	9.2
302.30450	1.0
311.29398	36.3
312.29791	0.7
327.20343	0.7
397.12112	0.5
479.77194	0.5
540.53448	100.0
541.53992	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	541.1526
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	0.4
56.05024	0.8
70.06589	2.2
70.32303	1.7
70.32654	0.7
71.04973	0.5
72.08154	0.9
81.03398	0.4
84.08121	0.5
85.02882	1.0
86.09671	0.6
91.05480	0.5
97.02865	0.7
100.53732	0.4
104.05305	0.9
105.03382	0.6
106.79211	0.4
109.02815	0.5
116.37610	0.5
119.01971	0.6
129.10271	0.6
142.53963	0.5
143.01915	0.6
145.03442	1.4
155.78468	0.4
161.02946	1.8
169.03435	1.7
169.04756	0.5
173.02986	0.9
185.04207	0.5
187.04477	2.7
187.51595	0.5
203.05396	1.0
217.04630	0.7
221.05113	1.2
229.05663	1.3
256.63791	0.5
259.08005	1.0
329.07193	1.6
347.09378	10.4
370.25256	0.5
379.10019	1.9
541.15198	100.0
542.15527	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	541.2642
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	7.0
55.01860	4.4
55.05506	21.7
57.03424	9.0
57.07059	4.5
67.05506	46.1
68.99758	8.0
69.03410	6.8
69.07067	22.5
70.06561	4.1
70.26453	11.7
74.94309	3.7
77.13953	4.9
79.05492	45.9
81.03409	9.4
81.07050	100.0
83.04965	13.6
83.08606	9.4
84.08116	4.4
85.02886	9.9
87.00825	6.8
88.41173	4.0
91.05475	35.6
93.07047	33.6
94.73842	4.1
95.04950	9.6
95.08607	34.4
97.02903	5.0
97.06529	7.8
99.08081	7.7
105.07025	46.9
107.04925	12.8
107.08608	26.0
109.02849	4.8
109.06551	28.3
109.10159	10.2
109.14964	4.0
111.00800	6.2
111.08067	7.7
117.06993	10.9
119.08569	29.0
120.45517	4.0
121.06488	10.5
121.10127	18.0
123.08060	11.6
123.11695	6.7
125.09618	5.1
127.03955	7.2
129.01820	16.2
131.08569	15.6
133.10156	24.5
135.08066	15.1
135.11696	10.4
137.09599	9.2
139.00221	4.8
143.08704	4.9
145.10114	9.9
147.11681	31.4
149.09605	18.1
149.13303	6.3
157.01324	7.7
157.10123	11.6
159.11656	10.0
161.09583	4.8
161.13216	8.0
163.11218	12.7
165.12799	8.4
173.13219	9.0
175.11130	6.8
177.12628	4.6
179.14386	4.9
193.12317	5.5
209.15158	4.1
229.19437	5.9
247.20480	5.3
257.19107	10.4
275.20044	98.8
293.21097	43.2
311.77408	4.8
349.23697	10.0
367.24561	6.0
403.20816	5.2
512.64594	5.1
523.25403	7.5
541.28333	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	540.2336
Annotation	Unknow
Peak:m/z	Relative Intensity
52.53035	0.5
62.69441	0.4
69.03414	0.8
69.07030	1.1
70.06546	1.9
72.08126	1.1
81.07037	0.6
85.02863	1.0
85.06492	1.1
85.84946	0.5
86.09659	1.0
91.05431	0.6
93.07009	0.7
95.04903	0.5
95.08586	0.5
98.21544	1.1
105.06969	0.6
110.07117	0.5
120.04436	0.7
120.08064	1.4
120.78294	0.4
122.06030	0.5
129.00879	0.5
140.07039	1.0
146.05939	0.7
152.07005	2.0
156.10141	1.5
176.10657	1.2
188.07091	0.6
190.04919	0.5
194.08104	2.3
209.10660	1.4
210.11606	0.7
211.12386	0.5
211.16983	0.8
221.10756	0.7
222.11407	1.2
223.12248	2.2
224.09450	0.7
225.10217	3.2
225.13808	0.8
226.10867	0.7
233.10608	0.8
234.11378	0.6
235.08656	4.4
235.12177	0.8
236.09375	4.6
237.10193	10.8
238.10922	3.1
239.11633	1.1
240.12418	1.1
249.10214	9.4
249.12651	0.9
250.10925	4.9
251.08087	2.1
251.11766	18.6
252.08861	0.9
252.12535	3.0
253.09702	14.7
253.13391	1.0
254.10406	0.8
255.11375	0.5
261.10193	1.8
262.10941	1.3
263.11722	1.7
264.08939	1.0
265.09708	20.5
265.12741	1.1
266.10355	1.9
267.11276	5.4
267.14310	0.7
268.11929	1.1
277.09634	3.9
278.07291	1.0
278.10443	8.3
279.07693	5.1
279.11252	26.1
280.11945	6.1
281.09363	0.8
281.12854	1.7
282.10175	0.9
283.10654	1.6
289.09744	0.8
291.11371	0.8
293.09158	7.3
293.12805	5.4
294.09915	3.7
294.13293	1.0
295.10764	3.6
295.14404	2.8
296.11243	0.7
297.12286	5.8
298.91592	0.5
299.13834	1.0
306.09885	1.2
307.10593	3.3
308.11530	1.8
309.08777	1.2
309.12216	6.3
310.09564	0.6
310.13092	0.5
311.10217	4.4
311.13937	2.5
312.11002	12.1
312.14334	0.7
313.11240	0.7
321.12299	0.9
323.10516	0.8
323.14059	1.4
324.10953	3.5
325.11792	15.0
326.12466	1.5
327.13370	43.2
328.13681	1.4
335.10120	4.4
336.10983	2.0
337.11823	5.7
339.13370	100.0
340.13797	4.8
341.15039	1.0
352.10553	1.8
353.11276	8.7
357.14417	1.2
367.12860	90.3
368.13489	8.5
369.14407	0.7
384.13458	1.3
385.13916	15.2
399.15530	15.4
400.16101	1.1
432.19806	0.5
476.18213	4.5
480.21405	1.3
496.74942	0.5
508.20758	90.1
509.21017	3.8
526.21887	1.9
540.23383	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	539.342
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	5.4
55.05493	20.8
57.07063	11.6
58.25309	3.6
64.20220	3.9
67.05495	42.5
69.03417	16.0
69.07063	54.2
69.92313	6.9
69.92721	17.1
70.06583	5.0
71.04976	15.7
71.08636	5.0
79.05479	22.1
81.03387	4.3
81.07046	100.0
83.04970	61.2
83.08601	9.9
85.02892	8.2
85.06536	15.6
86.09737	3.7
88.52876	3.5
91.05503	22.0
93.07031	52.0
95.04963	54.6
95.08596	65.4
97.06524	18.2
97.10140	7.3
99.04444	8.3
99.08082	20.7
105.07022	36.5
107.08578	43.4
109.06507	21.1
109.10141	58.5
111.08029	9.3
111.11681	7.8
113.05994	45.5
117.07004	8.8
119.08574	40.5
121.06467	8.6
121.10143	41.5
122.96673	4.3
123.08069	4.1
123.11714	36.5
125.05953	4.2
131.08536	11.3
133.10121	21.5
135.08057	5.3
135.11700	21.0
137.13261	12.6
139.11157	26.0
143.08533	5.4
145.10097	14.0
147.11676	18.9
149.05956	8.1
149.09610	6.1
149.13263	14.8
153.09082	4.7
153.12726	5.2
155.98228	3.9
157.10083	8.8
159.11649	13.3
161.13258	20.9
163.11151	4.6
163.14754	4.8
171.11630	6.4
173.13297	7.9
175.14757	4.7
177.05461	6.3
177.16350	10.5
181.12231	7.2
185.13231	4.9
187.14833	4.2
189.16371	6.6
193.19504	6.3
203.17957	12.6
209.08102	12.8
211.20544	13.3
213.16342	14.9
215.17874	4.1
221.19011	6.4
239.20026	30.2
269.22678	14.6
287.23691	18.7
293.24722	9.1
305.24731	31.8
309.29187	4.4
323.25763	50.3
341.26865	19.7
359.27896	12.7
377.28848	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	538.2863
Annotation	Unknow
Peak:m/z	Relative Intensity
52.69506	0.8
53.03941	1.2
55.01858	3.0
55.05494	2.1
55.87870	0.8
57.03432	5.5
61.02919	1.9
67.05501	2.0
68.05018	1.7
69.03426	10.0
69.05782	1.9
69.07060	3.5
70.06585	11.7
71.01292	0.9
71.04990	3.6
71.28297	1.5
72.08143	1.7
73.02910	10.7
74.06091	1.1
79.05486	2.0
81.03406	3.2
81.07062	5.1
83.04964	4.0
83.08611	1.8
84.04498	4.4
84.08131	3.3
85.02892	15.8
85.06532	2.3
86.09703	18.9
87.09998	2.6
91.03992	0.9
91.05470	2.7
93.07034	5.2
95.04967	3.2
95.08575	4.6
96.08109	1.1
97.02877	12.3
97.06528	1.1
99.04464	2.3
99.08039	1.2
103.05460	2.1
105.07024	3.3
107.08578	11.6
109.02869	2.6
109.06541	2.2
109.10140	9.2
110.07147	1.4
110.09673	1.1
115.03941	3.6
119.08569	2.0
120.08089	12.5
121.08413	3.0
121.10124	10.0
122.09640	0.9
123.08056	1.5
123.11681	2.6
124.03962	3.1
125.09634	2.8
126.05510	1.3
127.03923	5.9
129.10152	1.6
131.08519	2.9
133.04988	4.8
133.10127	4.1
135.08051	2.8
135.11671	2.3
136.07581	2.7
137.05992	2.6
137.09575	6.4
139.11174	2.0
143.10643	1.2
145.04962	4.4
146.05974	1.2
147.11633	3.6
149.09605	2.8
149.13237	8.1
151.11174	12.4
153.09085	1.6
161.05928	2.0
162.06367	1.8
163.05991	1.6
163.14828	7.1
166.08630	1.2
167.10652	1.1
167.14346	1.1
169.12183	5.5
172.04013	1.1
173.13217	8.1
174.09100	2.0
177.05440	1.7
191.14288	28.2
203.07011	3.7
204.07449	2.1
209.11870	1.0
209.15361	16.4
220.09656	4.9
221.09937	4.9
227.16396	100.0
228.16771	1.8
232.09732	1.7
241.07021	1.3
249.12401	3.5
250.12692	3.2
259.08389	1.2
263.13889	1.8
265.09601	1.0
290.08798	1.5
295.10135	1.1
311.12729	1.3
362.20694	2.6
363.21027	2.6
390.20276	8.8
391.20471	16.2
538.27777	4.3
543.86902	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.3186
Annotation	Unknow
Peak:m/z	Relative Intensity
52.60242	0.4
54.29926	0.3
55.33092	0.3
56.45791	0.4
57.07059	0.9
57.92649	0.3
58.14950	0.4
58.17817	0.3
59.04998	0.9
65.15807	0.4
67.05479	0.4
69.03415	0.8
71.08130	0.7
73.02920	0.9
76.80516	0.4
81.03371	0.7
81.07061	0.6
83.08616	0.5
85.02902	0.8
85.10173	0.5
89.20862	0.3
95.08595	0.9
97.10166	0.4
109.02896	0.7
109.10203	0.5
111.04430	0.7
121.75518	0.4
127.03939	0.5
208.49088	0.4
239.23508	0.8
258.04510	0.4
313.27609	0.6
539.31879	100.0
540.32574	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.288
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	11.1
55.01860	20.1
55.05511	22.5
57.03434	26.7
57.07070	76.6
61.02913	9.3
63.29230	4.0
67.05494	29.2
69.03424	58.3
69.07063	19.5
69.50349	3.4
69.80843	13.7
71.04984	8.9
71.08627	55.3
73.02905	54.7
78.77536	3.7
81.03409	42.5
81.07050	35.6
83.04963	12.8
83.08605	32.8
85.02891	38.0
85.10161	33.1
93.07031	4.2
95.08602	68.0
97.02890	22.0
97.10133	17.6
99.04463	24.1
109.02869	80.1
109.10146	29.7
110.03655	10.8
111.04434	65.6
111.11735	5.2
123.11710	15.8
127.00211	3.6
127.03903	41.0
132.99512	23.8
137.13245	10.3
151.00615	9.7
170.91502	5.2
172.98969	5.3
188.92453	26.5
191.00075	42.3
209.01161	12.1
214.94020	13.6
221.22617	7.5
226.94003	21.5
239.23672	100.0
244.95082	14.8
257.24780	11.0
265.03925	4.6
275.91794	3.7
300.97690	12.3
313.27335	61.9
357.71365	4.2
398.20303	3.8
465.16791	5.8
496.43756	4.0
539.28687	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	538.2863
Annotation	Unknow
Peak:m/z	Relative Intensity
52.69506	0.8
53.03941	1.2
55.01858	3.0
55.05494	2.1
55.87870	0.8
57.03432	5.5
61.02919	1.9
67.05501	2.0
68.05018	1.7
69.03426	10.0
69.05782	1.9
69.07060	3.5
70.06585	11.7
71.01292	0.9
71.04990	3.6
71.28297	1.5
72.08143	1.7
73.02910	10.7
74.06091	1.1
79.05486	2.0
81.03406	3.2
81.07062	5.1
83.04964	4.0
83.08611	1.8
84.04498	4.4
84.08131	3.3
85.02892	15.8
85.06532	2.3
86.09703	18.9
87.09998	2.6
91.03992	0.9
91.05470	2.7
93.07034	5.2
95.04967	3.2
95.08575	4.6
96.08109	1.1
97.02877	12.3
97.06528	1.1
99.04464	2.3
99.08039	1.2
103.05460	2.1
105.07024	3.3
107.08578	11.6
109.02869	2.6
109.06541	2.2
109.10140	9.2
110.07147	1.4
110.09673	1.1
115.03941	3.6
119.08569	2.0
120.08089	12.5
121.08413	3.0
121.10124	10.0
122.09640	0.9
123.08056	1.5
123.11681	2.6
124.03962	3.1
125.09634	2.8
126.05510	1.3
127.03923	5.9
129.10152	1.6
131.08519	2.9
133.04988	4.8
133.10127	4.1
135.08051	2.8
135.11671	2.3
136.07581	2.7
137.05992	2.6
137.09575	6.4
139.11174	2.0
143.10643	1.2
145.04962	4.4
146.05974	1.2
147.11633	3.6
149.09605	2.8
149.13237	8.1
151.11174	12.4
153.09085	1.6
161.05928	2.0
162.06367	1.8
163.05991	1.6
163.14828	7.1
166.08630	1.2
167.10652	1.1
167.14346	1.1
169.12183	5.5
172.04013	1.1
173.13217	8.1
174.09100	2.0
177.05440	1.7
191.14288	28.2
203.07011	3.7
204.07449	2.1
209.11870	1.0
209.15361	16.4
220.09656	4.9
221.09937	4.9
227.16396	100.0
228.16771	1.8
232.09732	1.7
241.07021	1.3
249.12401	3.5
250.12692	3.2
259.08389	1.2
263.13889	1.8
265.09601	1.0
290.08798	1.5
295.10135	1.1
311.12729	1.3
362.20694	2.6
363.21027	2.6
390.20276	8.8
391.20471	16.2
538.27777	4.3
543.86902	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	538.2132
Annotation	Unknow
Peak:m/z	Relative Intensity
52.60828	1.2
53.03929	2.4
55.05515	1.8
57.03418	2.4
61.02908	1.4
61.53592	1.1
67.05504	1.2
69.03413	9.4
69.17497	12.6
69.21171	1.0
70.06582	11.9
70.61851	1.1
71.04988	2.0
72.08138	7.0
73.02892	2.2
74.06056	2.1
79.05479	1.6
81.03407	1.6
81.07044	3.1
83.04964	1.1
84.04480	2.8
84.08125	4.8
85.02897	21.7
86.09705	7.5
87.04448	1.8
91.05453	2.1
93.07053	3.2
95.04950	4.8
95.08592	1.5
96.21648	1.3
97.02904	6.7
105.03380	100.0
105.07025	3.3
107.08574	3.3
109.02858	2.3
109.06535	3.1
109.10165	1.6
110.07112	1.4
117.03355	1.7
119.08527	1.6
120.08081	16.9
121.10126	3.2
122.02711	5.5
123.04403	4.7
123.11610	1.4
125.05994	1.5
125.09604	12.0
125.50840	1.2
127.03899	3.4
129.10201	6.2
133.10103	2.7
136.07518	3.8
137.05972	4.9
145.02852	2.3
145.04974	6.1
146.06027	1.4
161.09227	1.1
163.06001	1.9
164.07072	1.2
173.13187	1.3
177.05453	6.3
179.07031	26.5
179.10497	2.2
191.11751	3.1
191.14331	1.2
197.08076	43.8
206.04491	1.6
209.15372	3.0
226.15550	2.0
237.14694	1.7
244.93372	1.3
255.15906	2.4
328.18698	1.4
362.08615	1.4
376.17563	1.6
538.12244	11.4
538.26276	2.0
545.28668	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.3264
Annotation	Glidobactin D
Peak:m/z	Relative Intensity
55.05500	4.6
60.52200	2.5
67.05492	13.1
68.02678	3.2
68.05014	10.4
69.03407	9.2
69.05791	12.4
69.07067	16.5
69.75671	16.6
70.06577	12.5
71.04969	3.9
72.08144	2.9
79.05473	9.0
81.03402	3.3
81.07056	34.3
83.08617	6.3
84.04485	5.6
84.08132	5.2
85.02888	9.5
85.06506	7.3
86.09693	45.3
88.21043	2.6
91.05468	9.7
93.07039	19.7
95.04957	5.2
95.08598	27.1
97.02853	2.8
97.06496	5.9
97.10141	3.0
99.04428	2.8
99.08065	5.8
102.40704	2.4
103.05471	6.4
103.40575	3.1
105.07012	10.9
107.08595	21.7
109.06504	6.3
109.10151	22.3
111.04416	5.4
118.54830	2.7
119.08550	11.9
120.07256	5.5
120.08092	100.0
120.08948	5.5
121.10107	11.7
122.09654	6.2
123.08041	3.2
123.11680	10.4
125.06023	3.5
129.10208	4.1
133.10094	10.3
135.11661	9.3
136.07530	3.2
136.99385	2.6
137.11966	7.7
137.13214	6.0
138.12773	5.0
139.11168	5.1
142.07805	3.1
145.10089	6.0
147.11676	7.0
149.13208	4.8
151.07570	3.1
153.09087	3.0
157.10178	3.3
158.07159	2.8
159.11661	6.0
161.05966	12.4
161.13190	3.2
169.08565	3.8
173.13077	3.0
174.09137	14.3
175.14714	5.2
179.10533	5.1
187.14799	4.8
189.16069	2.9
191.17902	3.9
203.07018	20.9
203.11835	5.2
220.09654	29.1
232.09576	5.3
233.16394	5.9
247.16844	5.1
249.12318	32.6
257.22711	3.1
261.15826	8.0
275.23868	3.2
285.22128	6.4
287.05521	4.0
289.06360	5.0
303.23190	19.8
321.24271	17.3
362.20712	18.7
367.16644	6.3
390.20218	11.8
396.19199	48.7
413.95068	2.6
509.27460	17.9
520.20526	2.8
537.27002	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	537.2708
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.7
55.05503	0.8
56.05028	0.6
59.97900	0.5
62.48412	0.5
67.05480	1.8
68.05027	5.7
69.03421	1.4
69.05807	10.2
69.07046	1.8
70.06595	2.8
71.04993	0.8
71.52485	1.0
72.08132	0.7
79.05491	1.4
81.03407	1.3
81.07037	2.8
82.60652	0.5
84.04503	1.1
84.08123	1.0
85.02883	2.5
86.09698	57.1
91.05476	2.2
93.07030	2.4
95.04922	0.8
95.08595	1.9
97.02872	0.9
99.04490	0.8
103.05456	5.8
105.07012	1.9
107.08575	1.9
109.02906	0.8
109.06506	0.8
109.10144	1.4
110.07169	1.0
119.08493	0.8
120.08093	40.0
121.10101	1.4
122.09647	1.9
123.04374	0.8
123.11680	0.8
124.03941	13.2
127.03864	1.4
127.11224	0.7
129.10220	1.1
131.04892	1.2
131.08546	1.2
133.06415	0.7
133.10110	1.1
136.07545	2.0
137.06000	3.1
137.09625	0.7
137.11990	2.1
137.13074	0.5
138.12776	2.7
143.08426	0.6
145.02840	1.0
146.06004	0.8
151.07520	1.3
157.06448	1.2
157.77893	0.5
158.07234	1.0
159.08078	1.3
159.11685	0.6
161.05977	10.9
163.07483	0.6
165.05479	1.0
167.07039	1.0
171.07962	0.9
174.09128	12.2
175.07553	0.8
177.05449	2.1
182.08157	1.2
186.09109	1.8
187.07600	0.8
187.09875	0.6
203.07016	20.8
203.11761	4.5
204.10201	0.6
215.11827	0.7
220.09669	36.5
232.09689	6.9
235.16734	0.6
243.11331	2.7
249.12328	30.9
250.12451	0.8
251.19891	0.7
273.39008	0.6
286.66309	0.6
300.06253	0.9
316.20276	0.8
317.18509	1.6
321.24084	0.8
333.18015	2.5
362.20706	24.5
372.19617	0.8
378.18011	2.3
390.20190	100.0
391.20609	2.5
424.18518	3.0
537.19861	0.8
537.27069	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	537.2706
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	1.8
56.05036	0.9
56.63217	0.8
58.03405	0.8
66.65559	0.7
67.05502	2.7
68.05031	6.6
69.03414	2.2
69.05806	14.5
69.07066	6.2
69.29135	7.6
69.96217	0.8
70.06580	4.5
71.01292	0.7
71.04987	0.7
72.08134	1.4
73.04790	0.8
74.77057	0.9
79.05482	2.0
81.03429	1.0
81.07066	5.3
83.08601	1.1
84.04475	1.0
84.08135	2.5
86.09699	34.1
91.05474	2.6
93.07041	3.9
95.04974	0.8
95.08587	4.4
96.04453	1.5
97.02895	1.0
97.06511	1.5
99.08091	1.3
103.05486	4.6
105.06992	4.8
107.04976	1.1
107.08596	3.4
109.06516	1.5
109.10127	4.3
110.07155	1.3
113.07092	1.1
119.08509	1.4
120.08093	100.0
121.10146	2.4
122.09669	7.1
123.11701	1.3
127.03901	1.4
129.10213	1.4
129.69377	0.8
131.04883	0.8
131.08612	0.9
132.08064	1.7
133.06485	1.0
133.10135	2.1
135.11710	1.5
136.07559	2.9
136.11238	2.0
137.05948	1.5
137.11995	10.4
137.13062	1.4
138.12769	6.7
145.06606	0.9
147.11736	1.0
149.09624	0.9
149.13167	1.1
151.03877	1.1
155.42928	0.8
157.06487	1.0
158.07318	1.2
159.07954	1.9
161.05968	13.7
167.05582	1.4
171.07999	1.6
174.09117	13.3
174.65253	0.8
175.11200	0.8
181.13370	2.6
182.08075	0.9
185.05972	1.0
186.09116	1.6
187.14742	0.9
188.14325	2.5
200.88295	0.9
203.07014	24.6
203.11766	6.0
209.12846	1.3
220.09677	33.5
229.49594	0.9
232.09676	5.4
233.16507	6.1
249.12332	29.2
261.15991	4.9
300.06250	1.3
303.23184	2.0
316.20291	1.9
317.18527	2.8
321.24277	1.9
329.14764	1.7
344.19473	1.2
362.20660	15.4
367.16489	7.5
390.20239	9.2
393.29559	0.9
396.19147	44.0
397.19687	1.0
492.24442	1.2
509.27643	17.9
537.27069	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	536.1973
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.3
53.51655	0.9
55.01863	2.4
57.03425	4.4
58.73903	0.9
61.02925	7.6
67.34537	1.0
67.91348	0.9
69.03431	16.6
70.06589	2.3
71.05003	1.5
71.52251	0.9
72.08142	1.6
73.02914	3.9
80.57587	0.8
81.03407	6.7
84.04495	1.7
84.08117	1.8
85.02897	85.4
86.09718	2.5
86.82307	1.0
87.04462	2.2
89.03931	4.1
91.03957	5.5
97.02882	23.6
99.04444	3.1
103.03934	1.1
103.05477	1.1
105.03387	3.6
109.02879	6.7
115.03964	1.4
117.03368	14.3
120.08114	1.0
127.03909	23.9
129.10219	1.1
134.03587	1.4
135.04425	1.9
144.06551	3.3
145.01939	0.7
145.02843	39.1
145.04929	39.5
147.04327	1.1
149.05968	6.7
162.07652	1.1
163.03934	1.4
163.05997	14.8
167.05635	1.0
167.07040	1.7
167.29214	1.0
167.88867	0.9
177.05453	100.0
178.05850	1.1
180.08739	1.5
184.11017	1.0
189.60892	1.0
190.88887	0.9
195.06512	67.2
213.22934	0.9
295.00833	0.9
299.06213	1.1
307.76749	1.0
321.09247	1.0
339.10730	4.1
536.23889	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	536.1973
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	1.3
55.01852	0.9
57.03429	2.4
57.79795	0.3
60.04528	0.5
61.02923	3.6
62.92764	0.4
63.02361	0.6
67.19716	0.4
69.03046	0.4
69.03417	7.3
70.58128	0.8
70.58524	0.7
71.04977	1.2
73.02902	1.4
81.03407	3.7
81.21057	0.4
85.02894	37.6
87.04456	0.9
89.03897	5.6
89.07155	0.8
91.03961	1.6
91.05464	0.5
97.02877	11.7
99.04458	1.9
103.03914	0.5
109.02854	3.2
115.03895	0.8
117.03367	17.4
127.02976	0.7
127.03893	9.3
134.03604	1.3
135.04405	2.3
144.06572	0.6
145.02829	46.6
145.04897	13.9
146.03204	0.6
149.05956	7.7
153.05452	0.7
162.03133	1.1
163.03891	3.2
163.05960	4.2
165.89906	0.3
177.05449	100.0
178.05760	1.4
186.05482	0.9
195.06508	53.2
196.06847	0.8
275.98242	0.4
339.10803	0.8
344.97482	0.5
410.21375	0.4
460.99783	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	536.1972
Annotation	Unknow
Peak:m/z	Relative Intensity
50.81751	1.6
53.03215	1.9
53.03934	4.2
57.03436	3.9
61.02925	10.6
62.71294	1.9
65.81722	2.1
68.57772	1.7
69.03425	15.0
69.67630	5.1
69.68046	8.3
70.06577	7.9
71.04978	7.2
72.08150	5.0
73.02892	3.7
81.03400	7.2
84.04494	1.9
84.08113	3.9
85.02895	100.0
86.09676	2.1
89.07140	9.7
91.03939	5.3
97.02881	27.1
98.21494	3.3
99.04474	2.1
101.02367	2.1
103.05504	1.9
105.03418	3.1
105.07034	4.2
109.02872	7.3
110.07153	2.8
117.03371	6.8
125.80141	1.8
127.03909	24.6
129.05533	2.4
129.10220	2.0
133.06490	4.9
135.04437	2.3
145.01765	3.2
145.02852	35.3
145.04936	39.9
149.05942	9.1
149.09569	1.8
156.07649	2.0
161.05963	13.1
163.03934	3.2
163.06030	13.1
177.05460	94.4
188.50485	2.2
193.08659	6.2
195.06496	55.8
195.08272	3.1
238.35275	2.0
241.00783	2.0
265.16422	1.9
267.08273	1.9
299.05893	2.3
399.57068	2.1
536.23987	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	536.1973
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	1.9
55.01857	2.0
57.03442	3.8
60.37523	0.7
61.02702	0.5
61.02928	5.9
64.82177	0.6
69.03426	12.1
69.42949	6.0
70.06590	0.8
71.04967	1.5
73.02902	1.9
81.03412	6.2
84.48915	0.6
85.02898	61.6
86.09698	0.9
87.04447	1.3
89.03909	5.0
90.97985	0.6
91.03945	3.3
97.02293	1.2
97.02887	17.7
98.21569	0.6
99.04426	2.1
109.02856	5.8
115.03870	0.8
117.03376	13.7
127.03905	14.2
134.03601	1.0
135.04390	2.2
144.06508	0.8
145.02838	43.3
145.04919	20.8
149.05960	7.8
162.03178	1.2
162.07640	0.8
163.03918	3.8
163.05991	5.9
172.58672	0.7
177.05457	100.0
177.86009	0.7
178.05797	1.6
186.05338	1.0
195.06516	61.9
278.46469	0.7
348.81131	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.1442
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	2.2
55.01881	1.7
69.03409	4.7
70.06590	2.2
71.04969	1.3
71.30048	2.2
73.02899	1.4
75.61948	1.2
81.03408	5.5
84.08149	1.6
85.02893	12.7
86.09708	2.3
87.00805	3.6
87.08156	1.2
93.07043	1.6
95.04933	2.0
97.02886	2.4
99.00795	1.5
99.04457	3.2
101.67265	1.3
103.05445	3.4
105.01839	3.9
109.02885	6.9
112.01561	2.0
125.05988	1.2
127.00277	2.3
127.03870	6.9
131.04915	9.0
133.09956	1.4
137.02338	1.9
137.05920	1.2
145.04921	1.6
159.02875	4.6
167.07001	1.9
168.00548	13.7
181.04921	3.3
183.02873	83.4
186.01581	19.6
201.03902	17.0
213.03836	1.5
221.04454	2.5
225.03918	7.7
249.03993	1.8
272.06653	1.5
287.09109	100.0
288.09503	1.6
291.05020	2.3
329.10211	1.6
353.10242	1.7
395.11002	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	535.4145
Annotation	Toxicol B
Peak:m/z	Relative Intensity
50.76957	1.5
53.19670	1.6
53.97224	1.3
55.05510	11.9
57.07056	2.2
59.96684	1.4
61.42023	1.4
66.89625	1.4
67.05499	25.4
69.07069	9.7
69.19143	2.2
69.19482	18.2
71.04980	1.6
79.05473	9.7
81.07048	19.7
83.08608	7.0
91.05437	7.8
93.07054	7.8
95.08607	18.1
97.06529	1.8
97.10150	3.9
105.07017	6.3
107.08602	7.3
109.10152	12.4
111.08088	1.8
117.07021	4.6
119.08561	9.0
121.10117	6.5
123.11687	2.5
125.09618	2.0
129.06999	5.3
131.08560	6.4
133.10147	6.0
135.11667	3.6
141.06966	6.3
142.07759	2.7
143.08530	9.7
145.10095	11.9
147.11664	3.9
152.20113	2.0
153.06949	3.4
154.07759	1.9
155.08533	15.2
156.09193	1.6
157.10155	9.5
159.11696	6.5
161.13284	2.0
165.06982	2.3
167.05397	1.4
167.08543	6.7
168.09334	2.4
169.10104	20.8
171.11650	9.5
173.13313	5.4
179.08502	2.6
180.09399	1.8
181.10135	14.5
182.10924	2.6
183.11662	20.2
185.13246	7.8
187.14806	2.8
193.10164	2.7
195.09935	2.6
195.11649	16.4
196.12405	2.0
197.13239	14.2
199.14864	4.4
203.06647	1.4
207.11734	5.3
209.13280	14.0
211.14774	8.9
213.16357	4.0
219.11780	1.5
221.13318	5.6
223.14784	10.2
223.16753	1.4
225.16338	9.3
227.17831	1.6
227.93527	1.5
235.14873	5.9
237.16394	7.5
239.17970	4.8
249.16316	2.8
251.17831	2.8
253.19510	4.1
263.17722	2.9
265.19437	3.4
267.21127	1.8
277.19565	2.3
279.21088	2.4
297.22391	1.7
299.06155	1.9
321.22098	2.6
323.23627	2.0
335.23712	4.5
339.23312	2.5
349.25436	3.7
351.26749	3.4
353.25006	3.0
365.28577	1.8
391.30093	3.0
393.31613	2.2
405.31754	1.6
409.31259	2.6
423.32703	2.1
429.31812	1.7
444.68182	1.6
447.32736	3.6
475.36099	2.0
499.39343	6.7
517.40363	71.0
518.40607	2.8
535.41425	100.0
536.41815	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	535.1083
Annotation	2'-Hydroxygenistein 7-O-(6''-malonylglucoside)
Peak:m/z	Relative Intensity
53.03942	1.6
54.95958	0.3
55.01870	1.9
55.05493	0.5
57.03423	1.1
61.02924	0.8
61.62286	0.3
67.05485	0.9
68.99770	1.0
69.03426	6.8
69.07063	0.8
70.06590	2.2
71.04977	0.9
71.36923	0.4
71.37255	0.3
72.08139	0.9
73.02911	1.1
79.05481	1.0
81.03415	7.3
81.07051	0.9
83.04975	0.3
84.08135	1.3
85.02899	10.6
85.06583	0.3
86.09691	2.0
87.00818	4.9
91.03973	0.4
91.05453	0.7
93.07028	1.2
95.04957	0.5
95.08601	0.9
97.02877	4.0
97.06561	0.4
99.04451	2.9
100.86790	0.3
103.05441	0.3
105.01170	0.4
105.01842	3.2
105.03371	0.4
105.07040	0.6
107.04950	0.6
107.08597	0.6
109.02868	6.3
109.10153	0.5
110.07175	0.3
111.00787	0.6
111.04493	0.3
115.03891	0.3
117.01840	1.1
119.04953	0.5
119.08558	0.5
120.08105	1.1
121.02840	2.6
121.06509	0.4
121.10133	0.7
123.04411	0.3
127.03905	9.0
129.01793	0.6
129.07008	0.3
129.10240	0.5
133.02788	0.4
133.06447	0.3
133.10083	0.4
135.08018	0.4
135.11653	0.4
136.07605	0.4
137.02333	0.5
137.05963	1.3
145.04951	3.2
145.06091	0.4
145.06479	0.3
147.02878	0.4
147.04384	0.7
153.01833	3.5
159.02895	4.4
161.05896	0.6
165.01772	1.5
167.07013	0.8
177.05461	0.5
183.02869	1.1
185.05908	0.7
213.05461	1.2
231.04922	1.0
241.04955	0.8
258.05249	1.3
259.06082	0.4
273.15808	0.3
287.05475	100.0
288.05795	1.1
306.45490	0.3
323.59232	0.3
329.06088	0.3
373.70871	0.3
389.95822	0.4
478.58090	0.3
535.18994	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.3636
Annotation	Unknow
Peak:m/z	Relative Intensity
50.89492	3.2
54.24577	3.3
55.01865	6.3
55.05507	21.9
57.03421	4.7
57.07065	8.8
62.67896	3.6
65.03917	7.4
66.70222	3.2
67.05135	5.1
67.05497	100.0
69.03409	15.5
69.07067	23.7
70.25785	11.0
71.08630	5.5
79.05481	33.3
81.03404	12.0
81.06590	6.2
81.07045	87.0
83.04980	5.8
83.08600	16.7
84.82923	3.3
85.02894	10.1
85.06579	4.3
89.06012	9.6
89.97830	3.4
91.05455	19.7
93.07027	34.5
95.04945	5.7
95.08598	79.2
97.02886	14.5
97.06496	7.6
97.10165	9.9
99.04430	10.1
105.07006	18.7
107.08557	28.1
109.10144	29.9
116.08720	3.6
117.06992	4.4
119.08570	17.7
121.10117	25.9
123.11682	21.6
125.09554	4.5
127.03860	7.1
129.06987	4.4
131.08562	9.1
133.10100	19.1
135.11681	15.4
137.13269	5.2
143.08490	5.5
145.10123	9.1
147.11665	11.0
149.13242	8.0
151.14861	5.8
155.08566	4.9
159.11717	7.0
161.13234	8.5
163.14806	9.1
165.16351	5.1
175.14819	10.9
185.81052	3.7
203.17972	5.1
217.15880	5.3
227.20020	16.4
245.22568	27.7
263.23697	46.1
303.23346	4.5
305.24646	4.9
329.24481	5.8
337.27219	15.2
343.25797	4.0
353.24606	7.1
371.25745	22.4
389.26801	17.2
407.27853	22.6
425.28787	6.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.0931
Annotation	Unknow
Peak:m/z	Relative Intensity
53.83384	2.7
56.96562	8.0
60.54109	2.1
65.58042	2.5
71.43447	3.9
71.43787	3.9
77.00916	3.8
84.08083	3.0
85.02915	3.2
89.00884	2.8
89.76272	2.4
95.01940	4.3
98.97580	2.6
101.00869	2.8
103.87430	2.4
107.04943	18.2
112.08064	2.2
116.98633	5.4
119.01900	17.9
130.58488	2.5
131.01900	3.8
135.01378	6.6
137.02942	4.4
138.07512	2.7
147.01318	3.5
153.02464	14.8
159.01370	5.1
161.02908	4.5
165.04018	3.1
167.05547	4.0
177.02443	7.2
177.03987	5.9
177.05417	4.6
181.03413	4.4
183.05081	7.8
185.06555	17.9
193.01878	7.4
193.03421	3.9
195.05020	100.0
197.06508	2.7
199.04582	9.6
206.04373	2.7
207.04959	14.0
209.06628	4.9
211.02759	8.7
211.04570	6.2
213.06087	27.2
217.03481	3.3
218.06647	3.2
219.05153	3.8
223.04526	11.4
225.04198	4.2
225.06110	20.1
229.05595	7.0
235.04613	16.8
237.06123	6.3
239.04039	4.0
243.07169	14.2
251.04063	5.7
253.05656	45.5
255.01628	4.3
257.05093	12.6
267.07056	3.2
269.05008	9.3
269.10498	2.9
271.06689	43.9
281.05017	5.1
283.06494	6.8
293.05066	5.9
295.06662	3.3
297.04547	43.7
311.06168	25.8
315.05719	5.0
320.06039	7.4
337.03912	3.3
341.08737	3.6
355.05145	8.4
359.09625	7.4
369.08298	3.6
375.08658	2.7
387.09100	8.8
401.06683	6.5
401.11298	4.5
411.08975	4.0
415.08560	20.0
429.10260	13.8
459.07074	7.6
473.09131	10.0
473.79810	2.7
474.35568	2.6
477.08496	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	534.1814
Annotation	Unknow
Peak:m/z	Relative Intensity
51.80484	1.5
55.01863	1.7
55.43654	1.1
57.03434	1.6
61.02916	3.6
67.14858	1.2
69.03415	7.0
69.98901	1.9
69.99316	4.5
70.06544	1.6
76.15144	1.3
81.03402	4.5
83.01346	1.5
84.04492	1.4
84.08102	1.4
85.02897	34.3
91.03945	1.9
91.05444	1.5
97.02885	9.4
103.05448	1.5
109.02856	2.9
119.62392	1.3
127.03893	3.2
131.04889	4.0
133.02780	1.8
137.05930	1.9
145.04947	7.2
147.04433	2.6
149.05968	2.1
150.03049	1.5
151.03905	4.4
153.05460	2.3
160.07532	1.4
161.02318	2.7
163.07535	1.6
167.06995	4.5
169.04993	1.7
169.06418	2.5
171.04442	2.3
173.06064	1.3
175.07521	1.3
176.04593	2.1
177.05438	12.5
178.02600	12.7
189.05449	2.2
191.06999	17.4
193.04947	67.0
195.02908	1.7
197.05927	3.0
199.03922	2.9
199.07655	1.2
200.04663	2.6
203.07101	2.7
207.06607	2.3
214.06247	2.6
215.07085	3.8
217.04906	4.3
217.08395	1.9
219.06512	10.1
221.04440	5.0
221.31717	1.3
229.04872	1.4
229.08568	3.9
231.06583	6.8
233.08176	1.5
243.06586	3.3
257.08191	2.8
259.05966	1.8
273.07623	3.4
291.08405	2.7
309.09750	1.8
337.09131	100.0
338.09412	2.3
355.10016	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.2966
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21891	0.2
50.23682	0.2
52.85470	0.2
53.03920	0.4
55.05507	11.4
56.05016	0.5
57.05809	1.6
57.07070	0.3
58.06585	0.5
60.40283	0.2
67.05473	1.3
69.07064	0.4
69.38789	0.2
69.39109	2.1
70.06578	2.3
71.04977	0.2
72.08148	100.0
73.08482	0.6
74.02454	0.2
81.07035	0.3
82.06580	0.5
83.04968	0.3
83.30305	0.2
84.07630	0.6
84.08134	10.2
85.08925	0.7
86.09698	0.4
91.05472	0.9
95.04951	2.0
96.08151	0.4
96.28639	0.2
99.09203	0.8
101.47623	0.2
102.09183	0.3
105.07023	0.3
112.07602	2.7
114.09156	16.7
115.09502	0.2
119.04923	2.4
123.04439	0.7
126.12782	0.3
127.08684	1.8
130.06519	0.3
131.04971	0.4
132.08102	0.7
136.07561	2.5
138.12767	0.8
138.32657	0.3
140.07086	0.4
140.14409	0.3
141.10205	0.3
142.08612	4.0
145.06560	0.4
146.06018	0.8
147.04407	1.2
148.07532	0.3
159.06783	0.4
160.07549	1.9
161.09547	1.3
162.05476	0.3
165.05498	1.8
166.12291	2.1
171.04485	0.3
174.12833	0.5
177.09106	0.4
182.08119	3.9
183.14894	3.5
185.09639	1.0
189.05481	0.8
189.09082	12.0
190.12274	0.6
192.06442	0.2
194.11700	1.4
197.16418	0.3
202.12250	15.5
203.12625	0.3
206.08150	0.6
211.14400	6.9
212.10690	0.3
213.09099	1.6
219.10112	0.6
219.14946	0.8
220.13393	0.6
225.15919	0.4
229.13368	0.6
230.11778	0.8
231.10141	13.1
232.10440	0.3
247.14540	0.4
248.12799	20.8
253.15448	14.2
254.15742	0.3
258.11328	0.5
265.15442	7.8
275.13824	2.4
276.12436	1.2
281.14908	6.6
285.07596	0.3
293.14969	3.0
301.19196	0.6
307.18259	0.3
319.12772	0.9
324.22684	2.3
346.21530	0.3
347.19611	8.0
352.22278	2.8
364.22256	3.2
374.20547	1.4
375.19019	2.3
392.21756	23.8
393.22104	0.8
420.21072	0.5
434.22913	2.3
454.27103	0.3
474.25568	0.3
484.88522	0.3
505.29953	0.4
515.28662	0.7
533.29681	12.8
534.29584	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.2014
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.0
55.01859	1.6
57.01926	0.7
60.04519	0.7
61.02898	0.9
67.05499	1.5
69.03413	2.0
69.07047	1.6
70.06585	11.2
71.04979	1.2
71.19540	0.9
71.19897	1.6
72.08131	2.0
78.04694	2.6
79.05481	6.1
81.03403	1.3
81.07037	2.6
83.04966	1.5
84.04497	2.3
84.08112	2.0
85.02880	5.5
85.06535	1.5
86.09709	4.0
91.05466	5.0
93.03339	0.8
93.07026	1.1
95.04953	3.0
95.08585	1.2
97.02858	1.8
97.06507	1.1
99.04440	1.2
103.05447	2.2
105.07026	8.8
106.04165	1.3
107.04948	11.5
107.08566	2.0
107.67212	0.7
109.06493	1.4
109.10155	1.3
111.08051	0.7
113.05991	0.7
115.05453	5.1
117.06968	1.8
119.04934	2.1
119.08556	2.5
120.08079	1.4
121.06505	2.4
121.10089	1.4
123.04417	5.4
124.05189	5.1
125.05972	1.0
128.06216	2.8
129.07016	5.4
129.10201	1.9
131.04922	3.9
131.08553	2.2
132.05672	2.1
133.06514	4.3
133.10124	9.9
135.04395	0.7
135.08017	0.8
136.07562	3.0
137.05957	4.8
141.06989	1.1
144.05713	1.4
145.04935	1.0
145.06441	2.8
145.10106	1.3
147.04340	1.4
147.08086	4.0
147.11642	1.6
149.05942	2.0
151.03853	1.5
152.04688	3.5
153.05440	2.2
155.04912	1.2
156.05704	1.2
159.08034	6.5
160.05208	3.0
161.05972	11.5
163.07542	1.3
167.07022	100.0
169.73923	0.7
171.56982	0.7
172.05215	1.5
173.13237	4.7
175.07524	23.7
177.05399	3.2
178.07831	1.1
179.06966	1.1
183.14894	1.0
184.05173	1.2
187.07523	20.2
189.06992	1.6
189.09035	2.4
190.07780	1.6
191.07002	9.3
191.08574	1.6
191.14282	4.1
193.10185	0.8
199.07532	8.6
201.05423	1.4
201.09093	0.8
202.07813	1.6
203.08572	3.7
204.09219	1.0
205.08450	0.8
206.07219	1.2
209.08076	2.3
214.04021	0.7
215.08542	1.8
217.06500	1.1
217.08417	2.3
218.07213	3.0
219.07985	1.2
221.09592	3.1
231.08014	2.6
233.09607	3.2
234.06628	2.3
235.07549	1.7
247.07532	1.9
248.08345	0.8
249.09111	4.5
250.09862	1.5
251.06969	1.8
259.07748	1.3
261.09164	4.1
263.07071	2.6
266.09280	0.9
273.09250	0.9
274.06400	0.8
275.06946	1.0
277.08646	3.0
278.09341	2.9
279.06586	0.8
281.11694	7.5
289.08664	4.2
290.09219	1.4
291.10187	1.5
293.11609	3.1
294.08557	1.0
306.08759	1.3
307.09518	1.6
309.11124	8.1
321.11133	10.2
322.11884	1.7
325.14395	1.3
326.11432	1.2
339.08905	0.8
341.13812	18.1
343.70251	2.0
353.13806	10.3
533.21179	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.1817
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	0.4
61.02915	0.5
66.45235	0.3
69.03412	1.0
70.06574	1.1
71.11928	0.3
71.15069	0.4
73.02885	0.3
81.03396	0.5
85.02419	0.5
85.02897	3.8
91.05475	0.4
93.07025	0.4
95.04942	0.3
97.02875	1.0
107.04932	0.5
107.54337	0.3
109.02851	0.5
121.06458	0.4
127.03890	1.1
133.02878	1.8
136.07619	0.3
145.04942	1.1
147.04398	0.5
149.05890	0.6
150.03131	1.7
151.07559	0.7
160.07610	1.6
161.02345	1.0
161.05936	0.7
165.05505	0.5
167.07024	7.5
173.10834	0.3
177.05453	1.1
178.02597	17.4
178.08652	0.5
192.10123	1.3
193.04945	100.0
194.05307	1.3
198.52779	0.3
210.11226	1.1
249.93185	0.3
512.23199	0.3
534.21375	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.129
Annotation	Malonylglycitin
Peak:m/z	Relative Intensity
53.03947	0.2
55.05505	0.5
59.06126	0.5
67.05515	0.6
69.03429	0.5
70.06591	1.1
71.04965	0.3
71.52803	0.3
72.08160	0.6
73.02928	0.3
81.03433	0.5
81.07057	0.7
83.04960	0.2
84.08142	0.4
85.02889	0.7
86.09709	0.6
87.00806	0.3
91.05470	0.5
93.07039	0.6
95.04967	0.4
95.08600	0.5
97.02887	0.3
105.03387	0.9
105.07008	0.5
107.04926	0.3
107.08588	0.4
109.02906	0.3
109.10154	0.5
110.07140	0.3
119.08589	0.4
121.10151	0.5
123.04438	0.4
127.03942	0.5
127.79996	0.2
129.10062	0.2
131.04892	0.3
133.10100	0.4
135.08029	0.2
135.11653	0.3
137.02261	0.2
137.05984	0.7
137.09541	0.2
147.04361	0.4
147.08070	0.3
151.07622	0.3
159.11746	0.4
161.05908	0.3
165.01753	0.3
167.07085	1.3
168.00517	3.0
173.13048	0.3
175.07538	0.8
177.47713	0.2
182.15372	0.3
186.01576	3.7
187.07520	0.3
225.05724	0.2
239.06996	0.7
241.04816	0.3
242.05690	0.9
243.06439	0.3
261.08838	0.3
267.06598	0.3
269.04541	0.4
270.05200	82.9
271.05563	1.6
273.18689	0.2
285.07535	100.0
286.07974	1.9
353.13907	0.4
404.33258	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	532.1658
Annotation	Unknow
Peak:m/z	Relative Intensity
53.71746	0.1
55.01860	0.1
55.05513	0.1
55.92714	0.1
60.04517	0.1
62.20634	0.1
65.03928	1.0
69.03428	0.9
70.06589	0.7
70.71889	0.4
71.06898	0.2
71.94180	0.1
72.08141	0.7
74.06072	0.2
75.62305	0.1
81.03384	0.2
83.01332	0.1
84.04486	0.3
84.08121	0.4
85.02911	0.7
86.09698	1.4
88.03962	0.1
89.03913	0.3
91.05470	8.3
95.04917	0.1
97.02859	0.3
102.05546	0.2
106.25861	0.1
109.02769	0.1
110.07107	0.2
117.03384	0.9
119.04927	23.0
120.05226	0.2
120.08083	0.2
127.03880	0.5
129.10233	0.2
140.48143	0.1
143.11792	0.2
145.02846	2.5
147.04391	100.0
148.04742	1.1
149.05988	0.2
165.05476	1.7
173.12856	0.3
177.05447	4.9
201.12296	0.4
232.63934	0.1
291.08582	0.2
309.09650	0.7
330.16418	0.1
339.10437	0.2
365.14316	0.1
387.44794	0.1
532.19757	0.2
533.20709	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	533.1287
Annotation	Malonylglycitin
Peak:m/z	Relative Intensity
66.64730	0.1
67.82188	0.1
68.99493	0.1
68.99808	0.3
69.03405	0.3
69.87897	0.5
70.06567	0.3
81.03404	0.2
81.07018	0.2
85.02867	0.4
95.04935	0.1
95.08573	0.2
97.02850	0.2
98.20789	0.2
99.00817	0.2
103.05523	0.2
105.03377	0.7
105.07043	0.1
108.13813	0.1
109.02851	0.1
112.01537	0.2
116.89073	0.1
127.00311	0.1
127.03908	0.2
134.47417	0.1
140.01056	0.2
140.06116	0.1
167.06873	0.1
168.00516	3.3
168.05632	0.2
175.11119	0.1
184.05235	0.2
186.01584	3.5
186.47302	0.1
196.05202	0.2
205.53979	0.1
213.05426	0.1
224.04675	0.3
239.07001	0.6
241.04788	0.3
242.05757	1.0
254.84727	0.1
267.06430	0.5
269.04388	0.5
270.05191	73.1
271.05444	1.3
285.07529	100.0
286.07898	2.2
490.73746	0.1
533.12708	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.3162
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	3.9
55.01874	9.0
55.05508	44.5
57.03439	5.3
61.02921	17.6
67.05502	33.2
69.03435	5.5
69.03957	0.9
69.07062	11.6
69.77956	1.0
70.06597	1.7
71.04987	2.8
71.52724	1.3
73.02901	4.2
77.38065	0.8
79.05492	18.4
80.05843	0.8
81.03416	8.7
81.07053	33.3
83.04961	6.1
83.08614	67.1
85.02904	15.3
85.06517	2.2
90.15513	0.8
91.03945	10.1
91.05475	25.7
92.37209	0.8
93.07037	23.0
95.04962	8.0
95.08604	13.0
97.02892	8.9
97.06506	5.7
97.10155	2.0
99.08051	2.2
100.54692	1.1
100.96326	1.0
105.07030	15.9
107.04956	2.3
107.08578	15.5
109.02848	1.2
109.06496	6.2
109.10164	6.1
111.08078	18.3
117.07034	2.1
119.08569	12.8
121.06496	1.6
121.10142	12.3
123.08067	2.6
123.11679	1.9
127.03909	2.7
129.07040	4.4
129.09094	2.4
131.08574	5.7
133.10123	24.9
135.08073	1.4
135.11635	6.9
137.09604	1.1
139.11176	11.4
143.08540	1.8
145.04869	1.1
145.10101	5.4
147.11690	15.0
149.09628	6.9
149.13248	21.2
149.91548	1.0
151.11150	8.7
157.10112	5.5
159.11661	3.4
161.13245	4.9
163.11166	1.4
163.14819	1.6
165.12759	10.4
167.14285	4.7
171.11716	3.1
173.13223	2.1
175.11180	5.7
175.12495	1.1
175.14760	2.0
177.12756	1.2
179.14288	2.6
185.13213	2.4
189.12820	1.6
193.12218	3.0
193.15875	1.3
199.14812	1.3
221.15363	1.7
229.14320	1.0
231.21024	1.4
241.19530	4.3
249.22086	1.7
252.89490	1.0
259.20609	9.7
277.21619	61.5
278.21909	1.3
295.22800	2.0
301.21594	2.6
335.79446	1.0
351.25275	100.0
352.25653	2.7
369.26337	17.9
370.26840	1.2
375.25452	1.7
393.26273	2.8
420.74002	0.9
530.14856	1.0
546.84076	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.1474
Annotation	3,5-Dicaffeoylquinic methyl ester
Peak:m/z	Relative Intensity
51.67128	1.1
52.78306	0.9
58.30170	0.8
70.37496	3.8
85.02901	1.7
107.13873	1.0
111.26445	1.0
147.01352	1.1
169.51357	1.0
173.03049	1.9
187.04556	2.0
231.03671	1.4
237.73224	0.9
245.05159	1.4
275.22601	1.2
277.00064	1.8
339.09564	1.3
351.06171	1.1
513.10284	1.1
531.14886	100.0
532.15857	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.3162
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	4.1
55.01861	12.6
55.05505	51.8
57.03422	4.2
61.02924	16.0
64.64867	3.5
67.05498	40.8
69.03420	8.4
69.07066	18.2
71.04978	3.8
71.53006	4.1
73.02895	3.6
76.49047	3.5
79.05489	27.1
81.03403	15.5
81.07051	42.1
83.04981	7.2
83.08608	82.9
85.02901	14.2
91.03943	9.7
91.05464	27.3
93.07033	31.2
94.63617	3.6
95.04959	10.2
95.08598	21.3
97.02867	11.7
97.06525	7.3
105.07019	23.4
107.04906	4.9
107.08587	20.1
109.10144	13.0
111.08073	19.0
119.08569	14.3
121.10140	15.5
127.03928	10.6
129.06985	4.5
129.09079	6.1
131.08542	9.2
133.10124	28.4
135.11661	5.3
139.11177	11.3
147.11662	18.6
149.09616	9.5
149.13243	29.2
151.11208	9.9
157.10065	7.9
159.08141	3.3
159.11740	4.3
161.13312	5.1
162.67847	3.4
165.12776	14.5
167.14316	5.1
171.11674	4.8
173.13293	5.2
175.11201	7.7
175.14774	6.0
197.10663	3.0
241.19550	4.3
259.20685	9.8
275.89319	3.6
277.21616	100.0
351.25305	62.7
355.50491	4.1
369.26303	18.3
403.25052	4.0
421.25894	12.9
439.27103	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	529.4251
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	1.9
55.05511	17.0
57.07065	3.1
59.61001	1.6
61.39868	1.7
61.68278	1.6
65.03934	2.3
67.05505	37.4
69.07063	16.1
69.24666	16.0
71.04997	1.7
74.93857	1.6
79.05482	14.2
81.07049	34.5
83.08617	7.5
90.83424	1.5
91.05473	17.6
93.07035	17.1
95.08596	30.5
97.10164	3.7
98.20619	2.7
99.69767	1.4
105.07027	27.1
107.08589	11.3
109.10160	17.8
117.07011	5.3
119.08572	25.4
121.10128	9.9
123.11723	3.9
129.06995	3.1
131.08557	14.4
133.10118	18.5
135.11693	5.3
137.13245	1.5
143.08557	4.5
145.10115	11.8
147.11674	10.0
149.13251	2.4
157.10117	3.4
159.11690	6.7
161.13278	4.3
169.10138	2.0
173.13300	4.5
175.14839	3.0
183.11615	3.4
187.14772	2.8
189.16409	2.0
197.86728	1.4
201.16319	2.4
203.17931	2.1
217.19397	1.8
223.16946	2.0
225.16428	1.9
233.15495	2.1
239.18024	1.8
249.18549	2.0
260.92279	1.8
279.23453	2.2
359.29587	2.1
373.31161	2.8
401.33768	2.1
409.31131	2.4
445.33353	2.4
493.40359	3.6
511.41449	8.4
529.42462	100.0
530.42853	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.3004
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	9.7
55.01859	9.8
55.05508	51.0
56.25117	3.2
57.03433	16.8
61.02925	41.0
61.18006	3.1
65.03941	3.8
67.05171	4.6
67.05495	40.9
69.03419	33.3
69.07065	18.5
70.06573	3.5
71.01363	5.2
71.04989	8.9
71.19410	4.7
73.02905	14.6
79.05486	42.0
81.03406	23.6
81.07044	39.4
83.04958	19.5
83.08613	42.1
84.04458	3.2
84.08126	4.0
85.02890	45.9
86.09678	4.2
91.03944	17.9
91.05473	34.0
93.07035	39.3
95.04958	54.1
95.08588	32.1
97.02883	32.6
97.06532	7.4
97.10155	11.8
99.04435	12.8
100.11264	4.5
101.02361	8.5
103.03934	3.4
105.07026	35.9
107.04940	16.7
107.08575	39.6
109.02856	10.3
109.06509	6.5
109.10136	16.6
110.07150	3.0
111.04424	15.2
111.08080	9.7
115.03841	2.9
115.05427	3.3
117.06984	13.3
119.08572	29.1
121.06521	6.2
121.10110	22.9
123.08035	7.2
123.11745	4.2
125.09636	14.6
127.03899	15.4
129.05431	4.9
129.06985	4.3
131.08556	18.5
133.10115	23.3
135.08057	6.3
135.11661	8.3
137.09616	4.0
139.11160	4.7
143.08633	3.4
145.04906	3.7
145.06470	4.1
145.10100	27.2
147.07964	3.6
147.11649	15.2
149.09612	34.5
151.11163	5.2
155.08501	4.9
157.09929	3.4
159.11659	8.8
161.13274	5.7
163.11159	35.8
165.12727	10.2
171.11639	3.9
173.13252	3.0
182.15364	4.3
183.06525	4.6
189.11208	12.8
205.12265	8.2
209.16351	3.0
215.14325	3.4
215.17805	3.9
223.13266	57.0
229.19516	5.4
239.17897	8.5
247.20570	7.9
257.18976	16.2
260.39804	3.7
275.20038	100.0
276.20544	4.5
293.21140	40.7
349.23730	11.8
367.17889	4.9
367.24838	37.0
529.32593	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	529.3001
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13152	2.1
52.26983	1.9
53.03933	7.7
55.01862	7.0
55.05501	20.6
57.03430	20.9
57.07068	1.9
61.02919	44.9
65.03934	3.4
67.05133	2.5
67.05496	42.0
69.03426	24.4
69.07063	31.2
71.01335	4.3
71.04967	5.8
73.02914	15.5
75.04488	2.5
78.25367	1.8
79.05478	37.6
81.03407	17.3
81.07045	100.0
83.04966	6.6
83.08598	12.8
83.39127	1.9
85.02896	40.9
85.06541	5.1
86.09733	1.9
91.03947	21.0
91.05470	35.7
93.07032	34.1
95.04945	11.2
95.08598	23.2
97.02876	30.8
97.06528	11.4
97.10172	2.7
97.95465	1.8
99.04453	6.7
99.08068	4.5
101.02370	8.7
103.03918	4.6
105.07019	33.9
107.04934	9.2
107.08586	21.7
109.02870	9.1
109.06498	29.1
109.10155	11.9
111.04457	3.3
111.08073	8.0
115.03912	2.3
117.07001	6.1
119.08582	25.9
121.06499	7.0
121.10122	17.0
123.04366	2.2
123.08047	8.0
123.11665	9.8
125.09619	3.1
127.03905	15.6
129.05450	3.0
129.07027	2.3
131.08553	15.1
133.10112	22.5
135.08032	6.4
135.11690	6.4
137.09612	6.6
143.08575	3.2
144.36040	1.9
145.04985	5.6
145.10117	12.0
147.11684	25.1
149.09564	12.3
149.13216	11.8
151.11185	3.3
157.10107	5.6
159.11691	10.1
161.09686	2.9
161.13280	4.4
163.11165	8.7
163.14833	3.0
165.12682	10.8
169.10155	2.9
171.11658	4.0
173.09567	3.2
173.13260	7.2
175.11156	5.5
175.14778	2.8
177.12686	5.4
183.06528	5.2
189.12740	2.8
191.14314	2.6
193.12273	4.5
195.13670	2.9
201.07564	3.3
229.19537	4.4
239.18027	3.7
247.20560	6.7
257.19006	9.4
275.20026	84.3
291.31119	2.0
293.21027	24.0
349.23709	16.0
350.93451	2.1
367.24747	66.7
386.42767	2.1
391.25052	2.1
475.14227	2.3
511.28992	2.6
529.29987	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	529.3004
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02373	1.5
53.03937	4.1
53.47454	0.8
55.01866	6.9
55.05508	15.1
56.65676	0.8
56.85747	1.0
57.03433	16.4
57.07063	1.3
59.84178	0.9
61.02922	47.5
65.03931	2.5
67.05499	43.9
68.10524	0.8
69.03423	23.0
69.07066	24.1
69.24493	7.0
69.24905	1.7
71.01349	2.6
71.04987	5.4
73.02913	19.6
79.05488	35.3
81.03404	16.7
81.07049	100.0
83.04981	7.0
83.08612	15.2
85.02900	40.2
85.06528	4.5
87.04443	1.7
91.03408	1.6
91.03951	21.9
91.04895	1.6
91.05473	31.7
93.07030	30.3
95.04955	10.9
95.08598	30.1
97.02879	36.0
97.06527	11.9
97.10179	1.7
99.04446	6.4
99.08070	4.0
101.02373	8.9
103.03939	4.5
105.07024	32.2
106.07390	0.9
107.04960	7.9
107.08591	21.8
109.02879	7.8
109.06509	21.7
109.10144	11.2
109.83118	0.9
111.04423	1.7
111.08094	5.4
113.05965	1.3
115.03912	2.8
115.05449	1.1
117.05513	0.9
117.07003	8.3
119.08575	26.5
121.06495	6.8
121.10139	17.6
123.08054	8.6
123.11697	10.4
125.09631	2.2
127.03915	13.5
129.05475	2.8
129.07005	2.9
131.08543	12.9
133.06485	1.6
133.10123	19.1
135.08041	5.9
135.11670	8.4
137.09595	4.8
137.13269	1.8
139.11200	1.2
143.08517	2.9
145.04929	4.7
145.10120	14.2
147.08014	1.1
147.11670	29.9
148.40614	1.0
149.09604	9.8
149.13226	8.2
151.07544	1.3
151.11191	4.8
155.08560	2.5
157.10135	7.1
159.06593	1.5
159.07980	1.1
159.11679	9.4
161.09593	2.7
161.13234	5.3
163.11160	8.8
163.14778	1.6
165.12758	8.9
169.10072	1.4
171.06544	1.1
171.11664	3.5
173.13199	5.5
175.11168	4.7
175.14896	1.5
177.12708	3.6
179.14281	2.7
183.06522	5.5
183.11682	2.2
185.13206	1.9
187.11223	1.8
187.14888	1.2
191.10361	0.9
191.14252	1.3
193.12206	3.6
195.13821	2.2
197.13139	1.7
201.07616	2.6
201.12746	1.6
203.14575	1.0
205.12213	1.2
207.13835	2.6
215.14337	1.4
215.17946	1.5
219.17400	1.4
229.19513	3.6
239.17960	3.8
247.20567	5.7
257.16440	1.4
257.18997	8.5
265.21674	1.5
275.20041	68.1
276.20563	1.6
293.17822	1.4
293.21088	23.9
300.76602	0.9
349.23740	15.0
367.24753	61.0
368.25104	1.5
395.24298	1.3
409.41165	1.0
437.25418	1.0
447.14136	1.0
475.26608	1.3
493.27808	2.7
511.28943	2.9
529.29907	4.5
544.66034	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.2651
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.8
64.95227	0.5
65.03952	0.5
68.05043	1.0
70.06586	100.0
71.06911	0.7
71.19987	1.1
73.69752	0.5
79.05518	0.7
79.44807	0.5
81.07047	0.7
84.08141	1.9
86.09698	1.9
91.05474	10.1
92.71908	0.5
93.07027	4.0
95.04955	0.9
97.07642	5.7
98.06023	0.7
103.05443	8.7
105.03387	2.8
105.07054	0.8
115.05502	0.7
115.08691	10.6
117.05727	0.7
118.06532	14.8
119.07339	4.5
120.08095	86.9
121.06496	34.3
121.07388	1.3
125.06239	0.4
125.07101	11.0
125.08020	0.6
130.06505	2.3
131.04915	1.7
136.07643	0.6
137.06059	0.7
138.09131	8.0
144.08064	0.7
146.05998	19.7
148.07533	0.7
164.07047	2.4
165.05458	0.9
165.06987	0.8
166.07738	0.9
170.09679	3.7
172.11198	72.4
173.11578	1.1
174.05415	0.9
178.07750	1.5
181.10080	1.5
187.12296	4.8
193.10144	2.7
198.09178	0.6
199.12285	1.1
208.11186	2.0
209.09575	1.2
215.11841	2.7
216.12552	19.8
217.13345	8.1
220.11177	1.3
221.09607	29.3
222.12660	0.8
226.12193	2.8
238.12248	12.4
243.11276	9.0
248.10574	0.7
249.09074	1.5
250.12308	0.6
265.13278	2.2
266.11636	2.0
277.13358	2.8
285.15958	11.7
293.12857	5.7
295.14557	0.7
311.13858	10.0
321.12103	1.7
335.64743	0.7
356.16379	1.6
362.18542	0.6
373.19037	5.2
385.14456	1.1
385.19073	15.3
390.18149	1.5
414.21619	1.8
430.21164	4.9
440.19333	0.9
454.24863	0.8
458.20712	29.0
459.20938	0.9
491.21811	0.6
499.27060	18.2
509.25168	2.3
527.26575	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	529.3004
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	10.6
55.05505	32.9
57.03436	9.7
61.02916	31.1
61.61624	5.2
67.05495	34.3
67.98779	4.6
69.03419	17.3
69.07059	17.6
69.97140	7.8
69.97538	19.7
71.04976	8.5
73.02897	15.5
79.05482	29.8
81.03420	13.1
81.07059	32.1
83.04961	9.6
83.08620	24.5
85.02897	28.4
91.03941	20.0
91.05469	42.6
93.07034	44.6
95.04953	19.4
95.08609	24.8
97.02880	16.6
97.06544	4.9
98.21529	6.9
100.37135	4.6
101.02346	6.2
105.07025	36.6
107.04940	12.4
107.08565	25.9
109.06509	7.9
109.10142	12.0
111.08064	10.0
117.06987	15.2
119.08569	20.6
121.06506	12.6
121.10116	20.8
123.08065	9.5
125.09669	4.8
127.03914	11.2
129.06976	5.0
131.08540	22.4
133.10139	25.7
135.11670	11.9
137.09595	6.8
139.11151	4.5
145.10127	24.3
145.77786	5.9
147.07954	5.6
147.11674	14.8
149.09618	27.5
159.11664	11.7
161.13197	5.1
163.11174	28.9
165.05809	5.1
165.12688	7.5
169.10130	5.3
171.11659	5.3
173.13196	10.1
183.06490	5.3
191.14267	6.2
239.17880	5.2
257.18985	21.6
275.20041	94.8
275.22849	9.4
293.21075	18.4
306.08328	4.9
349.23737	100.0
367.24634	30.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.3003
Annotation	Unknow
Peak:m/z	Relative Intensity
54.38622	4.3
55.05498	13.8
57.03442	6.8
65.03954	5.1
67.05504	96.0
69.07061	17.1
71.01332	4.2
71.40842	4.2
71.41179	6.9
79.05486	51.5
80.91294	3.4
81.07049	97.4
83.08608	8.6
85.02890	12.1
91.05470	32.0
93.07034	65.2
95.01314	9.3
95.04926	4.4
95.08599	78.5
97.06535	5.2
99.12776	4.3
102.17067	4.1
105.07020	19.3
107.08580	38.4
109.10143	48.8
113.02351	8.1
117.06984	8.8
119.07831	3.7
119.08556	19.9
121.10147	28.0
123.11707	24.9
131.08557	23.5
133.10139	17.4
135.11664	27.7
137.13235	7.6
141.01802	11.8
145.10146	18.9
147.11732	17.4
149.13249	25.3
159.11684	13.6
161.13304	9.8
163.14798	12.2
173.13264	18.0
175.14859	5.4
187.14790	7.3
195.00230	12.6
208.19176	4.2
233.22705	4.4
243.21016	26.1
261.22107	100.0
279.23193	10.3
285.22195	3.8
304.03745	4.0
335.25867	23.2
353.26834	86.8
364.39142	4.3
419.24002	4.5
431.28119	5.6
522.38898	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	526.249
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03917	3.3
55.01854	2.9
55.05507	1.7
56.05025	2.1
57.03447	4.6
57.07040	1.5
59.05000	1.2
60.04505	1.1
61.02917	10.6
65.30241	0.8
67.05499	4.2
69.03425	20.7
69.07045	1.0
69.79371	0.9
70.06569	3.6
70.23550	2.8
71.04974	3.1
72.08132	2.1
73.02921	4.4
74.06052	1.9
79.05493	9.9
81.03413	8.5
81.06599	1.8
81.07052	29.7
83.01314	1.0
83.04971	1.8
83.06097	1.2
84.04491	2.1
84.08141	2.2
85.02899	96.4
86.09690	2.4
87.04457	2.5
91.03941	4.3
91.05476	6.2
93.07036	37.5
95.04946	2.2
95.08595	12.7
97.02884	29.3
97.06530	1.7
99.04440	4.0
103.03925	1.0
104.05284	1.5
105.07034	6.1
107.04952	1.7
107.08605	8.6
109.02875	7.8
109.06504	4.0
110.07162	0.9
111.08067	2.5
119.08572	1.2
120.08106	2.2
120.42986	0.8
121.06483	2.4
121.10135	100.0
122.05910	1.1
122.10537	1.4
123.08026	2.2
123.11695	35.3
124.50855	0.9
125.05995	8.1
125.12616	0.9
126.05543	1.2
127.03912	24.1
129.10161	1.1
131.08562	4.2
137.05933	2.4
139.11183	12.1
144.06520	1.8
145.04942	33.7
149.09607	19.1
163.06017	9.2
167.10664	55.3
168.10861	1.0
177.05447	1.2
185.11697	10.7
278.13623	1.0
311.14835	1.7
329.15985	5.5
346.13687	0.9
364.17923	1.3
526.18048	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	526.2183
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	1.1
66.87753	0.6
67.05481	1.0
69.03430	1.1
69.07056	4.5
70.06597	4.5
70.84081	0.7
70.84408	2.1
71.04965	0.9
72.08153	1.8
79.05478	1.3
81.07043	3.3
83.08598	1.1
84.04484	1.6
84.08149	1.2
85.02889	2.1
86.09695	3.5
86.99039	0.8
93.07028	1.5
94.06563	5.2
95.04983	0.7
95.08582	2.9
100.11229	1.1
105.07008	0.7
107.08585	1.8
108.08163	0.7
109.06490	1.1
109.10159	2.1
110.05999	0.9
110.10512	1.0
111.08109	1.1
112.07545	1.3
116.04980	0.9
119.08569	0.9
120.04452	1.5
120.08061	2.6
121.05357	0.8
121.10107	1.8
122.06030	9.8
123.11710	1.0
124.07542	1.0
133.10117	1.1
134.06061	1.1
135.11717	0.9
136.07573	1.3
137.13237	1.3
138.05484	1.8
139.11243	0.9
140.07053	12.8
140.11473	0.8
144.04466	2.1
146.06023	3.8
147.06941	1.0
147.11691	0.8
148.07526	0.9
149.89865	0.7
150.05553	0.8
154.33871	0.9
162.05476	0.8
166.04959	0.7
166.92722	0.8
172.03931	6.8
174.05507	3.6
185.09221	0.7
190.04930	4.5
191.05814	1.1
192.06522	1.0
197.10904	0.8
198.11464	0.8
204.06497	6.2
206.08153	3.2
209.10724	2.0
211.12331	1.1
212.09409	1.3
216.10301	1.5
222.07820	1.1
222.11609	0.9
223.12303	3.5
224.09335	2.1
225.10220	7.5
226.10838	0.8
232.05975	0.8
234.09155	1.2
235.08633	4.5
236.09323	6.0
237.10202	20.8
237.12466	1.6
238.11066	1.2
239.11783	2.7
243.11322	1.1
249.10205	4.2
250.07556	0.8
250.10963	3.6
251.08014	1.7
251.11774	20.1
252.08955	3.2
252.12526	1.3
253.09706	6.4
253.13220	1.2
254.10522	1.1
255.11270	2.9
261.12381	2.1
263.11853	1.0
264.08914	1.1
265.09698	26.0
266.10492	5.7
267.11270	14.9
268.11804	0.8
278.06537	3.8
279.11209	25.2
280.08646	0.8
280.11951	3.9
281.12927	1.8
283.10806	3.3
284.11438	1.2
285.12259	4.1
286.13004	0.9
292.27206	1.2
293.09222	20.4
293.12357	0.7
294.09879	2.8
295.10751	17.2
297.12338	6.8
299.14114	0.8
307.10782	8.9
309.12308	6.3
309.27972	1.0
310.28152	1.9
311.10263	2.4
312.11057	3.1
313.11777	17.9
323.78723	0.8
324.11011	2.4
325.11813	32.5
326.12274	1.1
327.13409	0.9
331.12781	3.9
335.10229	19.8
337.11826	1.4
345.14340	4.2
353.11292	100.0
354.11884	4.5
355.12897	2.1
371.12387	1.3
385.13901	13.5
426.58942	0.8
428.21033	1.0
448.17712	0.9
450.20123	1.4
452.18060	1.1
466.19592	2.8
476.18103	2.3
494.19199	57.0
495.19147	1.8
526.21906	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	525.3634
Annotation	Unknow
Peak:m/z	Relative Intensity
51.67419	1.9
53.03933	2.2
55.01867	5.6
55.05502	13.7
56.05027	2.6
57.07074	5.5
58.32960	2.1
59.18768	2.0
67.05508	21.1
69.03431	6.5
69.07066	32.6
69.19614	25.7
70.06593	12.6
71.05001	2.6
71.08615	2.9
72.08160	5.9
79.05490	12.0
81.03423	3.6
81.07049	67.9
83.04955	2.7
83.08617	12.3
84.04491	6.2
84.08130	6.9
85.02901	8.0
85.06557	12.3
86.09699	17.1
91.05450	10.2
93.07038	22.4
94.06557	8.9
95.04957	5.4
95.08597	50.9
97.02913	2.3
97.06527	5.1
97.10154	8.0
99.08084	10.9
100.11240	6.2
102.05553	2.4
104.05292	2.7
105.07017	9.1
107.04926	3.4
107.08580	29.5
109.06542	2.8
109.10148	43.8
111.04484	2.4
111.08088	10.4
111.11693	4.1
119.08543	7.6
120.04473	2.4
120.08089	9.6
121.10117	24.1
122.06000	14.0
123.11700	28.9
125.09602	3.5
127.03941	3.6
128.07039	2.3
129.10280	2.6
131.08582	3.7
133.10118	6.4
135.11671	14.1
136.07533	5.0
137.05927	2.6
137.13226	18.9
139.11143	20.9
140.07034	13.5
146.06042	6.3
147.11656	5.2
149.13251	16.4
151.14850	2.5
153.12701	4.4
154.12262	4.4
159.11697	4.4
161.09543	3.0
161.13226	4.4
163.14818	7.3
167.06973	3.5
167.14351	4.0
169.08490	2.6
172.03934	9.2
174.05542	7.6
175.14853	3.5
177.05522	2.9
177.16415	3.7
182.15263	4.7
189.16411	3.3
190.04980	6.4
191.17999	6.4
203.17984	3.9
204.06543	9.5
205.19489	3.9
206.08087	3.9
210.14897	5.2
217.19579	3.8
223.12341	3.0
225.10243	9.4
235.08678	5.7
235.20686	2.7
236.09517	8.3
237.10213	19.1
249.10269	6.5
250.10999	4.7
251.07782	2.7
251.11783	25.4
252.09055	6.3
252.12506	3.0
253.09732	5.3
253.13487	2.5
255.11151	4.0
261.25931	3.5
263.14261	2.8
265.09744	29.8
266.10474	7.0
267.11264	19.3
273.25809	6.1
278.06757	2.9
278.10269	2.7
279.11212	29.9
279.26724	19.6
280.11987	3.2
281.18570	2.7
283.10699	4.6
285.12354	5.8
291.26794	34.1
293.09180	24.5
294.09961	4.5
295.10883	20.5
297.12219	11.6
307.10806	9.0
309.12213	9.4
309.27856	48.2
311.10245	4.9
312.11191	3.5
313.11880	21.5
325.11792	37.3
327.28836	13.5
331.12860	3.2
335.10159	21.4
345.14526	5.1
345.29904	6.2
353.11292	100.0
371.12289	3.4
385.13855	15.5
466.19650	3.6
494.19177	74.1
507.35458	3.8
525.22998	8.3
525.36188	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	525.363
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.0
55.05499	2.7
57.07055	1.3
67.05500	5.0
69.03423	2.9
69.07060	5.7
69.18404	0.9
70.03694	0.8
70.06586	5.9
70.71326	2.9
71.04981	1.9
72.08145	1.8
79.05473	3.1
81.03407	1.8
81.07049	15.2
83.08617	3.1
84.04530	0.9
84.08145	1.6
85.02886	3.6
85.06548	5.5
86.09673	2.3
86.69518	0.9
87.00838	1.0
91.05452	2.6
93.07032	6.7
95.01977	0.9
95.04956	1.8
95.08602	11.5
97.02863	2.5
97.06508	1.3
97.10165	0.8
99.08067	3.1
105.07013	3.8
107.08583	7.6
109.02872	2.1
109.06502	2.0
109.10158	7.7
111.04458	0.8
111.08069	2.7
119.08582	2.8
120.08118	1.6
121.10111	6.5
123.08047	1.5
123.11687	7.4
125.09589	1.2
127.03900	2.2
129.10231	1.1
131.08580	1.2
133.10136	3.0
135.11699	3.7
137.05943	1.6
137.09587	1.7
137.13242	3.0
139.11189	1.3
145.10069	1.0
147.11688	3.2
149.13260	2.7
153.12691	1.3
159.11673	2.4
161.13242	2.3
165.09087	1.1
171.11742	1.3
175.14807	1.0
201.16409	1.6
217.19551	2.0
227.05260	1.3
235.20457	0.9
259.20673	2.5
271.04306	2.2
277.17758	2.8
279.26776	1.2
288.75214	0.9
291.26889	4.4
297.12076	0.9
305.17346	1.1
309.27640	2.4
333.68030	1.0
379.19397	1.0
421.21637	1.6
439.23026	15.2
463.22473	1.2
481.24088	20.3
482.23541	2.1
489.28192	1.8
525.23041	100.0
526.23291	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	525.2693
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	8.9
55.01866	5.9
55.05504	9.4
57.03430	4.6
57.07062	6.4
61.02923	3.2
67.05492	19.5
68.47625	1.7
68.99754	1.8
69.03082	3.3
69.03423	36.5
69.07063	9.7
70.06584	4.2
71.04996	3.0
72.08138	1.9
72.80352	1.6
73.02918	4.4
79.05482	8.2
81.03413	24.2
81.07054	20.1
83.04990	7.1
83.08595	4.1
84.08125	2.8
85.02891	33.8
85.06535	63.3
86.09719	5.1
87.00809	14.9
91.05447	9.7
93.07042	11.5
93.07567	1.6
95.04942	5.0
95.08601	26.3
97.02888	12.4
97.06525	2.0
97.10200	2.5
99.04444	7.3
99.08083	81.5
104.28790	1.7
105.01837	8.8
105.07034	23.0
107.04982	2.3
107.08563	16.4
109.02864	24.4
109.06514	13.0
109.10124	13.6
117.01828	3.3
117.06996	2.4
119.08578	33.2
120.08116	5.2
121.06466	2.7
121.10132	28.4
123.08041	10.9
123.11699	7.6
125.05970	4.3
125.09631	16.7
127.03889	24.9
129.01843	2.0
131.08559	5.9
133.10112	18.1
135.08029	4.7
135.11693	5.4
137.09583	8.1
137.13286	3.3
139.11166	6.1
142.07813	2.6
143.08530	6.6
145.04933	5.9
145.10109	13.3
147.08020	2.8
147.11664	34.4
151.11168	3.7
157.10101	9.1
159.02846	9.7
159.11658	9.9
161.09575	4.1
161.13263	9.3
163.11255	2.9
165.12733	22.0
168.81416	2.0
171.11629	11.2
173.13255	7.7
175.11215	6.7
175.14838	6.7
179.14267	13.6
183.11746	2.3
185.13211	10.2
189.12712	4.7
189.16377	2.9
190.13451	2.7
192.64835	1.9
199.14720	13.2
201.16399	18.1
203.14308	4.5
213.16362	1.9
217.15836	4.8
218.16510	2.4
231.04932	3.5
241.19473	8.4
259.20563	100.0
260.20923	2.8
264.47913	1.9
274.62186	2.5
275.72662	2.1
277.21649	9.4
339.91772	2.1
370.83282	1.9
460.18164	1.9
481.24084	4.2
504.16214	1.9
525.28107	22.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.2692
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62840	2.9
53.03931	10.0
54.74656	4.1
55.05496	13.8
57.03429	7.1
57.07070	8.9
67.05494	21.1
69.03428	39.8
69.07072	5.7
70.06564	4.1
70.14706	12.5
70.15137	6.5
71.04974	4.5
73.02892	7.1
79.05471	7.3
81.03409	26.3
81.07053	24.1
83.04964	7.5
85.02906	29.0
85.06538	64.3
87.00834	12.4
91.03954	4.4
91.05463	8.7
93.07030	15.8
94.99577	3.8
95.04956	9.2
95.08604	29.7
95.90753	3.5
97.02882	16.0
99.04444	7.2
99.08083	69.1
105.01839	6.4
105.07021	31.8
107.08575	13.9
109.02861	12.8
109.06510	6.3
109.10131	14.4
116.98591	7.5
119.08567	34.4
121.06438	4.4
121.10152	32.6
123.08098	5.9
123.11668	7.1
125.09607	16.7
127.03877	28.0
129.01855	3.7
133.10107	15.1
135.08075	4.2
137.09679	4.5
139.11188	5.6
143.08528	5.2
145.04974	6.8
145.10098	16.2
147.11636	35.7
151.11014	3.9
157.10120	12.8
159.02835	4.7
159.11685	7.6
161.13216	6.5
165.12729	11.8
170.10883	4.3
171.11642	8.6
173.13280	5.4
175.11108	7.8
175.14812	6.1
179.14279	16.6
185.13268	11.5
187.14835	3.4
189.12743	3.8
199.14809	8.5
201.16373	12.0
203.14369	4.9
231.04987	5.0
241.19516	13.1
259.20566	100.0
277.21655	12.2
331.13812	3.6
333.20154	7.5
457.20767	9.0
525.22296	13.7
525.28528	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	525.2689
Annotation	Unknow
Peak:m/z	Relative Intensity
51.23301	5.6
55.05506	8.8
67.05527	7.1
69.03409	8.2
69.07050	7.9
69.78996	26.3
77.23357	5.2
79.05491	13.7
81.07043	17.6
83.04970	16.4
85.02912	9.2
85.06576	5.7
86.09750	5.6
91.05463	11.3
93.07040	20.5
94.65221	6.3
95.08590	16.5
97.02914	7.4
105.07012	25.2
107.08604	21.7
109.06583	8.5
109.10139	13.0
119.08566	22.3
121.10139	30.4
123.11703	8.9
124.75562	5.4
125.09594	7.0
133.10123	51.0
135.11629	7.5
137.09618	21.8
147.11720	8.7
151.11140	9.7
158.05948	5.9
171.11786	6.4
175.14835	21.3
203.14236	9.7
244.99648	6.8
259.20532	40.5
277.21579	100.0
525.23645	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	525.2306
Annotation	Javanicolide C
Peak:m/z	Relative Intensity
55.05505	0.7
65.95933	0.3
67.05492	0.8
69.03431	0.4
69.07057	0.6
69.87222	2.1
70.06577	1.3
71.04981	1.5
72.81081	0.4
73.60167	0.3
79.05470	0.5
80.08017	0.3
81.07053	1.2
85.02901	0.5
91.05486	0.6
93.07058	0.9
95.08590	1.9
98.21503	0.4
100.01447	0.4
105.07027	0.7
107.08604	1.2
109.10133	0.7
110.99808	0.4
119.08581	0.6
120.08092	0.8
121.10114	1.0
123.11669	0.4
124.77145	0.4
127.00034	0.7
133.10164	0.7
135.11635	0.5
141.05209	0.7
143.01880	0.4
146.22881	0.3
147.11719	0.5
149.13248	0.4
157.03537	0.6
159.11722	0.4
161.13277	0.4
169.04712	3.6
175.04488	0.9
177.08885	0.7
203.05348	0.8
207.13554	0.5
223.26195	0.4
227.05315	0.6
245.06302	4.3
249.13240	0.5
259.16629	5.5
259.20682	0.7
271.04388	0.6
277.17722	8.2
277.20782	0.4
289.05182	2.2
291.14209	0.4
292.81558	0.4
305.17169	0.6
310.09949	0.4
315.10284	0.4
319.15686	0.5
319.19028	0.4
357.90707	0.4
369.18689	2.3
409.27020	0.4
411.19809	4.3
421.21979	1.8
439.22995	7.7
463.23007	3.5
481.24084	27.9
482.24524	0.7
507.21832	4.1
525.23029	100.0
526.23322	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	524.3709
Annotation	2-octadecanoyl-sn-glycero-3-phosphocholine
Peak:m/z	Relative Intensity
51.09063	0.6
53.07823	0.8
55.05504	0.8
56.05022	1.1
57.07063	2.2
58.06590	1.3
60.08154	17.6
66.54607	0.8
67.05496	1.6
71.07359	6.0
71.08608	0.8
71.52928	1.2
72.39922	0.7
74.46748	0.7
79.73484	0.7
81.07041	1.5
83.08616	0.9
86.09698	48.3
95.08563	1.7
98.98444	3.8
104.10732	100.0
109.10193	0.9
118.55833	0.7
124.99991	25.2
125.00909	1.5
168.74149	0.7
184.07323	98.7
210.49745	0.7
258.11023	1.2
341.30475	1.4
506.36063	8.5
524.36993	32.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.2308
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.4
55.05504	0.9
56.05012	0.3
57.07060	0.4
64.71114	0.4
67.05491	0.6
69.03422	0.7
69.07062	0.6
70.06577	1.1
71.04690	0.6
71.05022	0.8
72.08164	0.5
79.05486	0.7
81.03419	0.4
81.07052	1.3
83.04991	0.4
84.08144	0.3
85.02871	0.4
86.09699	0.9
91.05489	1.0
93.07040	1.2
95.04997	0.6
95.08606	1.7
105.07021	1.1
107.08586	1.2
109.10139	1.1
119.08602	0.6
120.08106	1.1
121.10172	0.8
123.08031	0.4
123.11679	0.4
126.99987	0.4
127.03842	0.6
133.10164	0.8
137.06018	0.5
145.10074	0.5
147.11646	0.4
149.13239	0.5
157.03520	0.4
157.10225	0.4
159.11710	0.4
161.02937	0.5
169.04688	2.2
175.04572	0.6
177.08969	0.7
183.02802	0.4
185.04332	0.5
189.12575	0.4
199.05843	0.6
203.05304	0.7
209.51402	0.4
227.05299	0.8
245.06349	4.1
249.13475	0.4
250.75676	0.3
259.16690	4.8
259.20630	0.5
277.17722	8.0
289.05325	2.2
305.17349	1.1
351.17746	0.6
369.18924	2.0
411.19812	3.9
421.22336	1.9
439.23080	7.6
455.18985	0.7
463.22925	3.0
481.24106	27.7
482.24533	1.1
507.21994	4.1
525.23059	100.0
526.23346	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	524.2614
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	2.7
55.05498	3.1
57.03431	1.3
61.89867	0.7
65.03983	0.8
67.05517	3.8
67.05797	0.7
69.07037	3.4
79.05479	4.2
81.06598	1.3
81.07049	20.7
83.04962	2.8
83.08609	1.7
86.09705	0.9
91.05473	2.4
93.07021	4.3
95.08604	4.6
97.06512	1.1
105.07015	2.6
107.08614	4.3
109.06524	9.1
109.10154	2.8
111.04431	14.6
111.08045	1.1
119.08595	4.2
121.10134	4.3
123.08050	2.0
123.11666	1.6
125.05956	5.4
131.08549	1.8
133.10117	4.2
135.08046	3.0
135.11676	4.5
137.05963	100.0
137.13213	1.9
139.07541	0.9
143.08572	1.5
145.10112	1.5
147.08060	1.5
147.11661	5.4
149.09573	3.3
149.13193	0.8
151.07529	2.6
151.11221	0.9
157.10075	2.0
161.09598	6.4
161.13228	2.9
163.11153	3.9
165.09120	2.6
171.11658	1.0
175.11166	5.9
175.14801	0.8
177.12761	0.8
179.10683	3.0
188.89961	0.8
189.12726	2.1
193.12222	1.5
203.17928	8.1
207.13557	0.8
213.16386	3.0
221.18939	2.3
231.17387	8.8
249.18492	7.4
277.17969	51.2
295.19028	14.4
320.22205	5.3
351.21634	56.3
352.21677	1.3
383.24243	47.2
384.24615	0.9
389.87317	0.8
431.18359	1.8
474.22324	1.0
492.23438	3.0
524.41455	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.3475
Annotation	Unknow
Peak:m/z	Relative Intensity
51.20657	4.0
55.01873	4.9
55.05510	21.6
56.05032	7.4
57.07047	5.8
61.02926	3.8
62.60254	4.3
67.05499	40.5
69.03407	12.9
69.07059	33.7
69.60841	33.1
70.06242	6.2
70.06588	45.7
71.04967	12.4
72.08160	9.5
79.05492	36.4
81.03389	12.3
81.07048	100.0
83.04949	11.0
83.08595	14.0
84.08134	12.2
85.02899	22.2
85.06532	10.5
86.09694	24.9
91.05481	24.3
91.17681	3.9
93.07043	59.9
95.04952	13.5
95.08602	79.9
97.02887	8.1
97.06533	9.5
97.10142	10.1
99.08065	13.6
105.07017	36.8
107.04960	6.5
107.08595	44.4
109.02895	6.8
109.06513	7.9
109.10150	56.8
110.07125	4.2
111.08091	5.4
111.11716	5.9
117.06985	8.3
119.08575	30.1
120.08077	16.3
121.06503	10.0
121.10135	44.2
123.08054	7.2
123.11702	30.2
125.09599	5.4
127.03913	9.8
129.10220	8.1
131.08537	13.3
133.10139	29.0
134.06007	3.9
135.11674	29.5
136.07533	7.6
137.05975	15.1
137.09598	12.6
137.13251	9.2
139.11130	11.4
143.08522	5.4
145.04976	5.5
145.10101	25.1
145.63719	4.3
147.11667	17.7
149.13234	19.0
151.11194	7.7
153.12650	4.6
155.10634	4.7
157.10165	5.9
159.07970	5.2
159.11647	17.9
161.13214	12.0
163.14807	16.2
164.18039	5.0
165.09116	7.4
165.12738	9.6
167.07005	5.8
168.06552	8.8
173.13196	7.8
175.14853	8.2
177.05415	5.3
177.16411	4.6
179.37166	4.7
187.14650	6.8
189.16368	5.7
201.16403	7.3
215.17979	11.8
229.15491	6.5
239.19847	5.5
252.58983	3.8
271.24271	18.8
277.24902	7.1
289.25302	20.3
307.26257	18.5
308.49841	4.7
315.13504	5.8
325.27377	8.9
343.12732	14.6
361.09113	7.4
451.29874	5.3
479.22003	5.0
523.21252	22.7
546.80499	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	523.3476
Annotation	Unknow
Peak:m/z	Relative Intensity
50.87106	3.9
53.03940	6.1
55.01855	7.2
55.05490	17.3
56.05030	4.0
61.10416	4.1
64.02699	4.6
67.05497	34.9
69.03407	14.3
69.07061	37.3
70.06593	33.9
70.96083	10.6
71.04984	10.4
72.08144	7.8
79.05473	23.0
81.03378	9.7
81.07047	100.0
81.07514	5.6
82.32389	4.6
83.04960	13.2
83.08599	9.3
84.04462	5.7
84.08159	4.6
85.02905	20.7
85.06525	20.7
86.09700	31.0
91.05482	22.5
93.07038	48.4
95.04951	13.0
95.08604	67.8
97.02894	7.3
97.06530	13.9
97.10144	7.3
99.08071	12.4
103.05420	5.1
105.07014	30.7
106.82596	3.8
107.08575	45.8
109.06503	8.0
109.10143	55.2
111.08065	46.8
117.06979	6.8
119.08578	24.3
120.08089	9.6
121.10127	37.7
122.10440	4.6
123.11701	49.9
125.09579	7.8
127.03918	4.3
129.10220	6.0
131.04918	5.2
131.08568	5.3
133.10091	11.7
135.08055	7.5
135.11653	30.8
136.07507	21.3
137.05965	24.5
137.13235	19.6
138.06256	4.8
139.11159	16.5
145.04936	5.3
145.10129	11.1
147.02664	4.2
147.07933	4.5
147.11597	11.0
149.13234	18.4
151.03925	6.1
151.07452	5.0
151.11111	6.0
153.12776	9.3
159.11647	18.5
161.05905	8.8
161.13184	10.5
163.14761	8.5
165.12738	8.2
167.06935	6.2
169.12181	7.4
173.13164	5.5
175.07567	8.5
175.14760	10.6
177.16344	6.5
187.14812	5.9
189.16313	9.5
191.17941	6.7
215.17970	8.2
221.19144	7.1
233.19025	5.9
249.16029	5.4
251.20097	9.0
271.24051	10.5
275.12845	4.7
289.25162	24.9
307.26248	54.1
333.11179	9.8
361.09036	17.2
384.21198	4.8
401.13309	6.4
419.14905	6.8
427.71997	4.8
523.21289	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	522.3549
Annotation	Unknow
Peak:m/z	Relative Intensity
53.32798	0.1
55.05503	0.2
55.38453	0.1
56.05030	0.4
57.03426	0.1
58.06358	0.2
58.06619	0.5
58.25863	0.1
59.07372	0.1
59.75324	0.1
60.08157	6.3
63.02574	0.1
67.05490	0.2
67.76855	0.1
69.07059	0.4
70.06561	0.1
70.58522	0.4
71.07366	3.0
80.07561	0.1
81.07027	0.2
83.08630	0.2
86.09695	29.0
87.10037	0.2
95.08590	0.2
97.10164	0.2
98.98446	2.9
104.10728	2.9
124.99986	20.6
143.01030	0.2
180.34950	0.1
184.07317	100.0
185.07719	0.6
258.10843	0.2
314.96521	0.1
339.28613	0.3
504.34415	0.9
522.35443	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	522.3554
Annotation	2-Oleoyl-sn-glycero-3-phosphocholine
Peak:m/z	Relative Intensity
55.05499	1.7
56.05017	0.9
57.07080	0.4
58.06606	1.3
60.08162	12.7
64.46024	0.4
65.96288	0.3
67.05492	1.1
69.07051	1.5
69.80721	2.6
71.07368	5.6
79.05473	0.6
81.07047	0.7
83.08611	1.1
86.09699	45.3
93.07008	0.7
95.08580	0.7
97.10168	0.6
98.98454	3.6
104.10735	97.3
107.08609	0.5
109.10113	0.5
121.10129	0.5
124.99991	24.6
163.01505	0.4
184.07327	100.0
185.07625	0.6
258.11029	1.3
277.67328	0.4
339.28784	1.9
349.25174	0.4
395.06375	0.4
445.27316	0.7
504.34436	10.3
522.35522	35.9
523.36035	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.2821
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	1.0
55.01846	0.7
55.05264	0.9
55.05508	10.3
57.03431	6.3
57.07056	1.4
60.04515	0.8
60.08146	2.3
64.66119	0.7
65.03920	1.2
67.05499	26.7
67.85220	0.6
69.07061	15.5
70.02800	1.4
70.03191	1.6
71.07379	0.6
71.08618	0.6
78.59784	0.6
79.05480	6.9
81.07047	25.6
83.04967	1.0
83.08620	6.6
86.09705	6.9
87.10020	1.9
88.03976	5.7
91.05466	3.6
93.07029	6.5
95.08597	19.9
97.06490	1.8
97.10155	3.6
97.10686	0.7
98.98452	6.2
104.10725	9.4
105.07008	3.7
105.11049	2.6
106.05017	1.9
106.11206	0.8
107.08567	3.8
109.10146	6.0
111.08087	0.7
111.11685	0.7
119.08566	2.9
121.10112	2.2
123.08102	0.7
123.11701	3.1
124.99969	3.7
127.00472	1.0
133.10107	2.2
135.11674	1.3
137.13202	0.8
147.11656	1.9
155.01010	1.3
161.13266	0.9
163.14832	1.2
173.02115	1.4
175.14758	0.8
178.20328	0.6
184.07326	12.2
185.07648	3.8
186.07825	3.1
186.51430	0.7
242.04370	0.8
263.23611	1.8
337.27328	100.0
338.27686	1.9
341.10956	0.6
350.26822	2.9
461.20187	2.1
504.33627	1.1
522.25623	1.3
522.34375	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	522.2909
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	5.0
55.05508	3.5
57.03429	5.5
61.02905	3.8
67.05490	11.5
69.03419	20.8
69.07063	6.0
70.06570	8.8
71.04974	5.0
71.52742	3.6
71.53082	3.3
72.08156	2.6
72.69675	3.0
73.02888	4.4
74.91597	2.5
77.61096	2.5
79.05473	5.7
81.03397	7.6
81.07049	100.0
83.08615	5.7
84.87135	2.5
85.02442	3.8
85.02904	52.2
85.06520	5.8
86.09683	2.8
87.00828	22.4
91.05476	7.6
93.07020	25.3
95.04965	4.0
95.08605	25.6
96.08884	2.7
97.02895	26.0
97.06521	6.8
97.10181	4.2
99.04443	7.6
105.01854	58.5
105.07014	18.0
106.48323	2.7
107.08592	17.5
109.02860	10.2
109.10147	17.2
111.08152	2.8
119.08572	7.4
120.08151	3.7
121.10105	15.5
123.11674	8.0
125.09629	3.8
127.03908	48.6
129.01819	3.0
133.10103	11.1
137.05981	14.4
139.11201	22.7
145.04956	27.2
145.10091	3.2
147.11732	13.8
149.13243	5.8
151.07466	3.4
151.11189	5.2
159.02832	7.6
161.13173	8.0
163.11198	5.8
163.14799	45.9
175.07516	3.6
175.14764	4.2
181.12253	3.2
193.19440	3.3
203.17940	93.0
221.18959	63.4
231.05048	25.6
239.20016	9.1
249.06091	22.5
284.09869	19.7
386.26361	2.8
523.21106	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	522.2907
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	10.0
57.07069	5.7
60.57062	5.8
67.05503	9.4
69.03417	7.9
69.07041	17.1
70.06592	12.2
70.72227	8.2
70.72577	9.8
71.04980	19.5
72.08143	9.8
79.05473	22.3
81.07054	100.0
83.08627	7.9
85.02916	28.7
86.09691	10.9
87.00816	11.4
91.05473	15.4
91.08745	5.4
93.07031	45.7
95.04952	6.2
95.08577	27.2
97.02935	5.9
99.08061	7.9
105.01862	19.3
105.07008	57.3
107.08556	35.8
109.02876	11.2
109.06514	5.8
109.10139	41.0
110.07140	5.5
113.09670	6.6
119.08579	80.4
119.96265	6.2
120.08097	7.7
121.10115	13.8
123.11684	24.0
127.03916	21.2
127.11191	21.4
133.10092	33.9
135.11664	99.5
143.10683	9.6
147.11684	28.8
151.11122	7.7
153.12784	8.2
161.13235	18.8
163.11145	42.0
203.17955	62.8
216.10504	6.0
221.15500	5.8
221.18996	47.0
231.05119	6.6
245.09248	7.7
282.44800	6.5
361.09180	13.2
383.49484	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	521.2021
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02360	0.5
53.03942	0.7
54.49561	0.5
56.05017	0.9
69.03433	0.6
70.06594	3.2
71.04992	0.4
71.52599	0.8
72.08140	1.2
79.05476	0.9
81.03385	0.6
84.04494	1.5
84.08132	1.5
85.02898	1.4
85.07652	2.0
85.15205	0.5
86.09679	2.5
90.21993	0.4
91.05479	1.0
93.07017	0.6
95.04955	1.3
97.02901	0.6
102.04700	0.5
102.05548	0.5
103.05457	53.0
104.05277	0.6
105.07014	3.9
107.04919	0.8
107.08585	4.4
109.10158	0.6
115.05431	0.8
115.08714	0.5
119.04961	0.8
120.08089	1.3
122.03532	0.4
127.03931	0.5
131.04915	100.0
132.05269	0.6
133.06516	2.3
133.10088	1.9
135.11713	0.8
136.07610	0.9
137.05975	4.0
147.04437	1.4
151.03876	0.9
151.11205	0.6
161.05959	8.0
161.07263	0.6
161.09496	1.1
163.07527	28.8
164.38580	0.4
175.03816	0.5
175.07591	1.2
179.07083	0.9
179.10614	1.1
187.07556	1.4
197.11691	11.5
207.06552	0.6
247.35432	0.4
279.10339	0.5
289.46588	0.5
289.96768	0.4
291.10162	0.6
311.13046	0.6
317.52444	0.6
345.77670	0.5
359.07367	2.0
359.16470	0.5
369.80734	0.6
471.13986	0.6
521.20471	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.3392
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	0.2
56.05032	0.6
57.03422	0.2
58.06625	0.5
59.07383	0.1
60.08157	6.2
66.59483	0.1
67.05500	0.5
68.35391	0.1
69.07053	0.3
70.06570	0.1
70.56784	0.2
70.57185	0.1
71.07365	3.1
71.07758	0.2
79.05470	0.2
81.07043	0.5
83.08620	0.1
86.09696	31.2
87.10031	0.1
91.05430	0.1
93.07031	0.1
95.08593	0.3
97.10111	0.1
98.98452	3.0
104.10732	3.2
105.07012	0.1
109.10146	0.1
116.99470	0.1
121.10102	0.1
124.99990	21.1
143.01054	0.2
148.71667	0.1
184.07321	100.0
185.07597	0.4
192.97647	0.1
208.64798	0.1
225.47223	0.1
258.10855	0.2
316.33533	0.1
319.63791	0.1
327.58856	0.1
337.27362	0.2
413.31000	0.1
461.35379	0.1
502.09381	0.1
502.32828	0.8
517.71735	0.1
520.26587	0.1
520.33911	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.3393
Annotation	Unknow
Peak:m/z	Relative Intensity
50.97236	0.2
55.05497	1.3
56.05027	1.4
57.03425	0.4
58.06573	1.3
59.07367	0.3
60.08156	17.5
67.05496	2.7
69.07063	1.4
71.07365	7.6
71.26408	0.4
79.05470	0.9
81.07041	2.7
83.08612	0.5
86.09694	51.6
87.10029	0.3
91.05482	0.3
93.07021	0.8
95.08579	1.7
98.98453	4.1
104.10728	93.1
105.07001	0.5
105.11075	0.5
107.08584	0.4
109.10136	0.4
124.99986	29.2
127.81934	0.2
133.10104	0.2
143.01048	0.5
159.07651	0.3
163.01547	0.7
174.94608	0.2
181.02620	0.3
182.13863	0.3
184.07315	100.0
185.07687	0.3
239.21945	0.2
258.11066	1.0
280.56458	0.2
337.27304	1.0
346.97406	0.2
437.51346	0.2
443.25644	0.3
502.32858	7.6
503.56070	0.2
520.33923	24.4
521.34369	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.2749
Annotation	Unknow
Peak:m/z	Relative Intensity
50.72662	3.5
55.05495	8.1
61.06484	3.5
65.03930	5.1
67.05492	11.6
69.03416	8.3
69.07051	11.9
70.06591	4.4
70.07903	16.1
71.04981	30.7
73.06544	5.0
79.05475	14.8
81.03396	5.3
81.06677	3.4
81.07054	37.0
83.04964	7.6
83.08579	4.3
85.02881	16.1
87.00807	10.3
91.05471	12.4
93.07030	31.5
95.08604	40.8
97.02876	8.1
97.10166	3.4
104.48933	3.3
105.01834	6.7
105.07006	41.3
107.08575	28.5
109.02844	5.0
109.10163	22.9
109.79485	3.8
117.06984	6.6
119.08588	18.3
121.10128	20.9
123.11650	7.9
125.09630	34.5
127.03879	11.8
131.08540	9.5
133.10109	56.5
135.11659	4.6
143.10663	33.1
145.10130	18.3
147.11667	14.9
149.13219	29.2
151.11113	3.9
159.11684	12.0
161.13229	7.8
167.14293	100.0
201.16359	16.9
219.17445	53.6
219.48061	4.1
237.18536	11.2
310.93887	3.9
548.63751	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	520.2023
Annotation	Unknow
Peak:m/z	Relative Intensity
58.94810	1.9
59.06120	6.0
60.04522	100.0
69.03427	5.2
69.70694	11.8
73.04755	2.8
85.02886	10.7
86.09680	2.0
91.05792	9.4
97.02881	4.6
98.24680	1.6
127.03863	2.8
129.95004	1.8
131.08305	2.1
136.07622	2.9
137.05971	76.1
145.04968	3.4
152.17786	1.8
153.05484	4.6
159.37512	1.7
160.07576	4.6
161.06085	2.8
167.05574	5.6
178.08568	11.7
179.07068	3.7
196.09729	4.1
234.98824	2.3
284.03314	2.4
288.79111	2.1
299.06113	3.6
300.06299	5.8
530.55249	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	520.2026
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	2.4
56.05028	2.5
57.03419	5.1
59.31243	1.7
60.04513	2.0
61.02915	8.9
62.06076	2.5
65.39760	1.6
69.03423	17.8
70.06583	16.1
71.04980	8.4
71.52428	3.5
72.08135	5.3
73.02901	4.3
75.86114	1.8
81.03411	6.1
81.07037	2.2
82.06522	1.8
83.06122	2.2
84.04494	4.4
84.08125	7.0
85.02900	100.0
86.09689	7.6
87.04462	4.7
88.96956	1.9
91.03931	4.9
91.05414	2.7
97.02893	25.6
99.04435	3.5
103.05451	2.3
104.05301	2.5
109.02844	7.3
115.03917	2.3
120.08067	3.5
121.02859	33.4
127.03918	31.5
127.04847	3.1
128.07060	5.8
129.05455	3.7
129.10255	3.5
131.04924	2.9
136.07655	2.0
137.05957	3.5
145.02832	5.4
145.04947	43.1
147.04410	15.8
153.05466	40.8
163.06026	14.0
164.07030	7.0
167.05551	3.2
167.07033	2.2
177.05481	13.3
179.07069	2.8
188.09111	2.6
195.06543	2.6
197.11629	2.2
243.94136	1.8
299.06323	2.1
344.85626	2.3
350.14487	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	520.275
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	9.5
54.78661	5.3
55.01862	9.7
55.05504	17.7
57.03427	8.3
67.05479	19.9
68.46865	5.7
69.03413	40.5
69.07063	27.4
70.06588	31.4
71.04981	25.9
71.46340	5.3
71.52323	7.4
71.52744	8.7
72.08131	16.0
72.60348	5.5
73.02901	8.9
76.27735	5.9
79.05471	22.3
81.03400	29.0
81.07047	74.1
83.04963	12.6
84.04485	8.4
84.08121	17.5
85.02894	79.8
85.06528	15.2
86.09692	52.3
87.00833	33.3
91.05383	28.9
91.74644	5.2
93.07031	88.0
95.08593	43.5
97.02887	36.9
97.06523	12.5
99.04442	16.5
101.07135	5.5
105.01852	42.6
105.07030	52.4
107.04929	6.6
107.08576	100.0
109.02879	21.9
109.06541	11.0
109.10149	34.4
110.07155	5.7
116.07032	5.9
117.06989	9.7
118.85403	5.5
119.08550	36.3
120.08060	30.5
121.06480	10.4
121.10128	51.6
123.07938	5.5
123.11698	16.1
125.09609	23.7
127.03883	50.2
129.10240	10.9
131.04877	9.9
131.08546	22.7
133.10126	29.3
135.08063	8.2
135.11653	16.7
137.05927	7.4
137.09598	22.1
138.79346	5.8
145.04939	27.2
145.10104	34.6
147.11711	12.7
149.09570	9.5
149.13251	67.1
151.11177	12.4
151.14839	8.5
159.02803	8.6
159.11662	32.3
161.05910	7.1
161.13264	12.7
162.06657	6.1
163.11172	13.2
167.05568	15.8
167.14359	12.4
173.13232	21.1
177.05447	8.2
191.14305	22.9
195.10214	6.4
201.16402	36.9
203.17998	7.0
209.15294	10.5
219.13971	6.7
219.17397	36.0
227.16386	49.4
231.05028	14.8
237.18495	9.8
253.42668	6.5
299.06076	11.4
300.06195	11.6
367.06827	6.0
402.25836	6.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.1133
Annotation	Apigenin 7-(6''-malonylglucoside)
Peak:m/z	Relative Intensity
53.03938	0.6
54.60601	0.1
55.01863	0.5
55.05491	0.1
57.03411	0.3
61.02900	0.4
67.05463	0.1
68.99775	0.5
69.03420	2.8
70.12640	0.4
71.04971	0.4
73.02901	0.5
81.03412	2.5
83.01299	0.1
85.02898	3.0
87.00816	1.6
91.03926	0.1
91.05772	0.2
93.07017	0.1
95.01311	0.4
95.04911	0.1
95.08547	0.1
97.02885	1.2
98.20790	0.1
99.04435	0.8
103.05451	1.4
105.01843	0.7
105.03358	0.5
107.08526	0.1
109.02857	2.0
115.03846	0.1
117.01836	0.2
123.00777	4.0
127.03897	2.9
129.01826	0.2
129.03381	0.1
131.04904	0.1
137.20982	0.1
141.01822	0.7
141.06981	0.2
145.04932	0.8
147.02887	0.2
151.00270	0.2
159.02875	1.1
167.05592	0.2
169.01288	1.3
197.05968	0.2
213.03952	0.1
225.05461	0.9
229.05005	0.2
231.04958	0.5
237.07626	0.1
253.04921	2.4
254.05434	0.1
254.64967	0.1
267.90485	0.1
270.05246	0.3
271.05975	100.0
272.06317	2.2
299.06042	0.3
391.74203	0.1
433.11301	0.6
500.54324	0.1
501.09964	0.1
519.11359	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	519.244
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	4.7
67.00887	1.2
67.05485	1.2
68.05019	13.8
69.03423	1.6
69.05807	17.2
69.07043	1.9
69.73337	6.7
70.06583	11.2
72.08136	1.5
73.04733	1.1
81.03405	2.2
84.03986	1.8
84.04494	37.6
84.08149	1.5
85.02882	3.1
86.09690	20.8
91.05427	1.7
91.05811	1.7
95.04947	1.2
96.04484	1.7
105.07058	1.4
108.08137	1.3
108.15098	1.0
114.05547	2.1
115.05466	1.2
117.07015	1.5
119.04936	4.3
123.04426	2.5
123.09195	1.7
124.03909	1.3
125.11108	1.1
128.06154	1.7
129.06927	2.0
129.10205	2.0
130.05028	1.3
131.07298	6.5
131.08525	1.8
132.08072	1.9
132.10213	4.5
133.06531	1.6
134.06003	17.9
135.06766	6.0
136.07585	5.2
137.05945	3.8
141.06982	2.9
144.08171	1.5
145.06494	1.3
146.09665	1.2
151.04993	1.2
151.08627	7.1
153.06563	2.6
157.06490	4.3
159.08025	3.9
161.05963	12.2
165.05502	1.9
165.10564	1.0
167.05626	2.0
169.06483	8.9
171.08043	2.8
173.06004	1.8
174.09120	28.5
177.05536	1.6
179.08144	20.8
181.06200	2.0
184.07582	1.2
186.09114	47.8
186.10802	2.4
187.07574	1.0
190.08575	1.7
199.61185	1.3
203.07024	16.6
203.08748	1.2
203.11729	7.3
207.07625	15.5
207.13820	1.4
207.22655	1.1
213.10185	5.4
220.09654	13.7
226.57697	1.1
231.11183	1.4
232.09634	5.9
240.10130	2.4
249.12305	6.6
297.12347	5.2
299.06168	3.4
307.10623	1.2
314.14935	43.8
320.16132	3.2
324.13406	3.0
325.11884	2.0
333.62939	1.1
342.14438	98.1
343.13541	1.7
358.09186	1.7
360.15515	23.2
362.20746	3.9
363.08844	10.7
365.10516	10.3
388.14963	100.0
406.16022	5.8
408.21332	7.8
455.22894	1.5
456.21167	2.2
473.23883	11.5
501.23770	6.9
519.24237	54.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.3237
Annotation	Unknow
Peak:m/z	Relative Intensity
52.29397	0.1
55.05506	0.2
56.05027	0.6
57.03422	0.1
58.06612	0.4
59.07378	0.1
60.08158	6.7
63.56987	0.1
67.05500	0.6
67.46690	0.1
69.84289	0.3
69.84705	0.4
71.07365	3.1
79.05497	0.3
81.07055	0.3
86.09697	30.4
87.10024	0.2
91.05456	0.1
93.07030	0.2
95.08595	0.3
98.98456	3.2
104.10726	2.9
107.08575	0.1
121.10147	0.1
122.90317	0.1
124.99990	22.3
139.59065	0.1
143.01045	0.2
184.07321	100.0
185.07700	0.6
258.10901	0.2
335.25699	0.2
347.10822	0.1
403.53812	0.1
500.31375	1.0
518.32434	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.3239
Annotation	Unknow
Peak:m/z	Relative Intensity
50.34728	0.2
50.51847	0.2
51.05131	0.2
53.03931	0.2
55.05503	0.9
55.18353	0.2
56.05027	1.5
57.03425	0.6
57.07044	0.3
58.06566	1.4
60.08157	20.1
65.03910	0.4
67.05490	3.0
69.07053	0.9
71.02631	0.4
71.07366	7.6
73.07684	0.3
79.05488	1.9
79.17256	0.2
81.07042	2.4
81.88039	0.2
86.09697	52.2
91.05480	0.9
93.07024	2.3
95.08586	1.7
98.98465	5.0
99.99284	0.2
103.35777	0.2
104.10730	100.0
105.06998	0.7
105.11058	0.5
107.08566	0.7
109.10144	0.4
119.08602	0.5
121.10123	0.6
124.99989	30.0
133.10149	0.6
135.11703	0.3
143.01045	0.4
154.47485	0.2
163.01570	0.5
173.94727	0.2
184.07321	99.4
185.07698	0.4
245.61829	0.3
258.11020	1.1
335.25864	0.9
375.97131	0.2
441.23907	0.5
468.57187	0.3
500.31326	8.3
518.32379	22.0
519.32666	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.3367
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01858	3.6
55.05504	26.7
56.47960	3.3
57.03418	7.4
57.07064	10.2
61.02909	7.5
65.03938	4.4
67.05496	100.0
69.03414	4.8
69.07058	37.5
71.04983	3.8
71.08613	4.5
71.52782	4.1
79.05484	29.2
81.03400	3.2
81.06598	6.8
81.07050	99.8
83.08613	24.8
85.02888	4.5
85.06502	4.0
85.10178	4.1
91.03949	6.0
91.05476	27.8
93.07032	35.2
95.08594	87.7
97.02876	4.9
97.06499	9.7
97.10132	17.0
99.08069	3.7
104.10747	8.2
105.07022	13.6
107.08606	20.6
109.10146	40.9
111.08053	4.5
111.11700	5.1
119.08576	17.9
121.10123	23.8
123.11673	28.1
130.82967	3.1
133.10103	21.5
135.11696	18.5
137.13181	6.8
139.11162	3.0
145.10091	4.9
147.11656	10.7
149.13223	11.3
151.11192	5.6
151.14824	8.1
155.14352	3.7
161.13234	13.7
163.14774	12.7
165.12775	4.4
165.16345	11.3
167.08531	3.6
175.14789	13.7
179.17931	6.5
189.16321	5.6
245.22641	46.6
263.23642	58.2
337.27374	65.2
355.28564	5.8
481.31967	3.8
499.32513	4.7
517.39038	6.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.3365
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	38.3
56.05217	4.4
57.03421	13.1
57.07055	7.5
61.02898	5.6
67.05501	75.3
69.03410	12.2
69.07068	37.7
71.08636	6.2
73.02908	4.3
79.05476	36.7
81.03382	10.0
81.07047	100.0
83.04975	6.1
83.08613	20.8
85.02874	13.2
85.06525	5.0
85.60629	4.0
91.03908	5.2
91.05461	25.4
93.07035	44.0
95.04945	11.2
95.08599	81.8
96.43739	3.9
97.02872	12.1
97.06508	7.8
97.10162	11.1
99.08057	8.9
105.06394	4.1
105.07008	22.9
107.08586	25.1
109.06491	5.0
109.10140	32.6
111.08047	5.3
112.99975	17.6
115.10409	3.6
117.07011	9.5
119.08563	16.0
121.10134	21.0
123.08062	7.0
123.11687	20.0
131.08554	10.5
133.10097	15.2
135.08012	4.6
135.11642	16.1
145.10092	7.5
147.04422	9.3
147.11658	16.0
149.13258	10.2
151.11205	4.1
151.14848	5.8
153.12796	4.5
159.11661	4.9
161.13231	14.9
163.14806	10.9
165.16196	4.7
175.14784	8.3
179.14270	12.2
179.18022	5.3
189.16307	6.2
200.93285	4.6
245.22623	34.9
262.55066	4.5
263.23679	34.5
289.21552	4.4
331.26285	9.2
337.27298	37.6
349.60440	4.7
371.25659	6.6
388.68524	4.7
389.26990	6.9
405.29794	16.9
407.28180	4.5
499.32507	9.7
525.92151	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.2252
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	1.4
56.05044	1.0
60.04508	1.0
61.50927	0.8
67.05478	1.5
67.11147	0.8
69.03410	1.9
69.07042	1.1
70.06586	7.7
71.04981	1.5
71.52485	0.9
71.52885	0.7
72.08138	3.5
74.06088	0.9
79.05476	0.9
81.03413	1.2
81.07048	1.7
83.58840	0.7
84.04479	3.0
84.08118	4.5
85.02907	3.1
86.09695	9.6
87.18523	0.8
87.34965	0.8
91.05472	1.6
93.07014	1.2
95.04945	1.8
95.08587	0.9
95.90764	0.8
97.02870	1.1
109.10171	1.0
110.07136	0.8
116.07138	1.1
120.08089	1.6
129.10239	2.5
133.10139	0.9
135.08046	0.9
135.11687	1.5
136.07552	2.3
137.06003	0.9
145.02843	1.6
146.03210	1.3
146.65889	0.7
168.53154	0.8
177.05461	2.8
178.05740	1.0
179.19756	0.8
198.45343	0.8
199.14850	1.0
201.03764	0.8
235.16927	1.6
270.08878	0.7
305.08420	2.2
356.19177	1.1
363.08911	24.7
365.10519	16.0
385.18359	1.0
499.26764	1.7
517.22510	100.0
518.22638	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.2254
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.0
55.05496	1.1
57.03418	1.2
60.04529	0.9
67.05491	2.4
69.03436	5.2
69.07097	1.9
70.06592	6.6
70.70486	2.4
71.05005	4.2
72.08139	3.5
79.05491	2.2
81.03403	3.2
81.07072	4.4
83.04956	1.9
84.04491	2.4
84.08129	3.5
85.02897	6.5
85.06510	0.9
86.09708	9.2
87.00811	1.9
87.10028	1.0
91.05473	1.8
93.07040	2.2
94.19339	0.9
95.04959	1.6
95.08601	2.3
97.02888	2.7
97.06525	1.2
99.04461	1.7
105.01863	1.9
105.07047	1.9
107.08595	2.1
109.02895	2.6
109.06522	1.0
109.10149	1.9
110.07134	1.6
111.19819	0.9
117.07014	0.9
119.08588	2.4
120.08095	2.1
123.08075	0.8
125.06026	1.1
126.72144	0.9
127.03937	4.8
127.07520	0.9
129.07036	1.0
129.10246	1.5
131.08583	2.2
133.10138	2.8
134.55093	0.8
135.08076	1.2
136.07582	1.6
137.05960	1.5
137.26944	0.8
145.04974	1.0
145.10072	1.3
147.11736	0.9
159.02827	0.9
161.06026	1.2
167.07069	1.9
172.74277	0.9
173.13330	1.4
177.05484	1.0
185.04233	0.9
201.03799	1.1
215.13864	1.1
240.08563	0.9
245.05162	1.4
249.09116	0.9
251.16409	0.9
251.20082	1.8
269.21268	1.5
305.07318	1.3
319.09943	1.2
330.11758	1.3
347.09473	2.6
355.17145	1.0
360.12830	1.3
363.09085	3.5
365.10632	4.1
402.17371	0.9
517.22565	100.0
518.23016	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.2252
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	1.4
56.05044	1.0
60.04508	1.0
61.50927	0.8
67.05478	1.5
67.11147	0.8
69.03410	1.9
69.07042	1.1
70.06586	7.7
71.04981	1.5
71.52485	0.9
71.52885	0.7
72.08138	3.5
74.06088	0.9
79.05476	0.9
81.03413	1.2
81.07048	1.7
83.58840	0.7
84.04479	3.0
84.08118	4.5
85.02907	3.1
86.09695	9.6
87.18523	0.8
87.34965	0.8
91.05472	1.6
93.07014	1.2
95.04945	1.8
95.08587	0.9
95.90764	0.8
97.02870	1.1
109.10171	1.0
110.07136	0.8
116.07138	1.1
120.08089	1.6
129.10239	2.5
133.10139	0.9
135.08046	0.9
135.11687	1.5
136.07552	2.3
137.06003	0.9
145.02843	1.6
146.03210	1.3
146.65889	0.7
168.53154	0.8
177.05461	2.8
178.05740	1.0
179.19756	0.8
198.45343	0.8
199.14850	1.0
201.03764	0.8
235.16927	1.6
270.08878	0.7
305.08420	2.2
356.19177	1.1
363.08911	24.7
365.10519	16.0
385.18359	1.0
499.26764	1.7
517.22510	100.0
518.22638	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.2044
Annotation	(2'E,8R)-2',3'-Didehydro-2'-deoxy-4',8-dihydroxyverrucarin A
Peak:m/z	Relative Intensity
51.90509	1.4
56.96552	1.8
63.14051	1.4
67.05497	3.7
69.07031	2.3
70.06583	3.9
70.07180	7.5
75.04966	1.5
79.05472	1.6
79.51894	1.6
81.03390	1.4
81.07050	5.5
84.08110	3.4
84.96011	1.6
85.02900	4.1
86.09693	3.3
87.04445	2.9
91.05458	2.5
93.07047	2.4
95.04943	1.7
95.08598	3.5
97.10134	1.7
98.97570	7.1
105.07025	1.8
107.08578	2.4
116.98586	5.2
120.08073	1.5
121.06490	2.2
123.11676	1.6
131.08533	2.1
133.10091	1.8
135.08031	1.6
135.11705	2.1
137.05956	2.7
145.10034	1.5
146.99673	1.9
159.11795	2.6
161.13199	1.9
173.13293	1.9
201.00621	2.0
219.01768	7.5
237.02786	13.5
253.11064	2.0
261.02844	3.4
278.69382	1.6
279.03830	16.4
283.12045	1.6
306.64932	1.6
321.04922	3.9
363.08884	4.3
365.10489	4.2
379.06216	4.3
397.15353	12.0
517.20465	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.2255
Annotation	YM022
Peak:m/z	Relative Intensity
50.60167	0.3
53.03947	0.3
55.05489	0.3
56.05027	0.3
57.03420	0.4
65.15153	0.3
69.03419	0.8
69.07065	0.5
69.40102	1.8
69.40524	0.9
70.06599	2.1
71.04968	0.5
72.08135	1.2
73.34389	0.3
79.05494	0.4
81.03407	0.5
81.07042	0.8
82.34322	0.3
84.04481	0.6
84.08128	1.2
85.02901	2.1
85.06514	0.3
86.09696	1.8
91.05470	0.9
93.07025	0.9
95.04966	0.3
95.08601	0.4
96.02389	0.3
96.34914	0.3
97.02888	0.6
99.04497	0.3
107.04969	0.4
107.08571	1.0
109.10144	0.4
110.07146	0.3
120.08128	0.4
121.10142	0.5
127.03928	0.7
129.10226	0.8
131.08563	0.3
133.10153	0.5
136.07597	0.5
137.05974	0.9
143.08461	0.3
145.04944	0.4
159.94661	0.3
161.02969	0.4
201.05397	0.4
205.12247	1.1
221.05258	0.3
223.13371	0.8
245.05115	0.7
257.92645	0.3
305.07474	0.9
321.10654	0.3
339.76450	0.3
355.12350	0.3
355.17230	1.5
363.08905	4.7
365.10580	2.2
410.65671	0.3
517.22559	100.0
518.22876	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	517.1249
Annotation	Unknow
Peak:m/z	Relative Intensity
51.89439	1.2
55.01849	1.5
56.96571	3.9
58.40659	1.6
61.02927	1.5
69.03424	4.0
69.82818	7.1
69.83226	2.8
76.15169	1.4
76.55865	1.5
82.99875	1.6
85.02903	8.4
90.29166	1.5
94.99839	2.1
97.02884	3.4
98.97578	6.7
100.99107	1.8
101.00861	8.2
103.02453	5.5
110.97563	2.6
113.00902	3.1
116.98625	4.5
119.01912	17.5
121.03490	3.9
127.02403	11.6
127.03916	5.7
128.98601	3.9
131.01900	20.7
137.03015	2.0
139.02419	2.7
143.01903	17.9
143.28770	1.3
145.03447	63.2
146.99603	2.5
149.02946	5.2
149.68294	1.3
155.01869	24.3
157.03442	19.2
158.99713	2.4
161.01636	2.1
161.02956	21.7
162.99182	1.3
163.02798	1.3
163.04535	9.0
163.46854	1.3
168.05070	1.6
170.99979	2.4
171.01364	15.2
173.02946	56.0
174.99310	2.0
175.00908	1.5
175.04431	6.8
177.00638	1.7
183.01433	3.2
185.02948	10.7
187.02773	1.7
189.00751	2.9
189.02370	19.1
190.98682	3.1
191.03960	3.8
196.04616	1.7
197.02870	1.8
199.00845	10.1
201.00703	6.1
201.02452	5.4
201.58224	1.7
203.03978	17.1
205.03908	1.6
205.10648	1.4
207.99802	1.7
208.99554	2.0
215.03940	3.5
217.01930	100.0
218.02094	3.1
219.01746	5.1
220.02151	1.6
221.05087	4.0
228.99968	2.2
229.01964	27.0
232.99686	4.3
233.05002	4.6
234.00136	1.7
235.02951	43.9
237.02756	3.2
238.00867	3.7
245.04984	5.2
247.02971	29.0
247.05055	2.5
251.00798	2.2
253.01321	2.2
253.03960	4.0
255.06906	1.9
256.07822	1.8
258.04672	2.4
261.02887	4.2
263.03540	1.8
263.06100	17.2
264.57712	3.3
265.03897	8.4
265.08096	2.2
273.08255	2.2
275.06165	3.0
277.04019	26.8
279.03781	1.7
280.01776	2.4
281.07135	1.7
289.02551	3.0
293.07080	2.5
319.05106	3.8
321.04944	1.8
323.05240	2.0
337.06146	78.6
338.06308	2.5
355.04291	3.3
382.91177	1.9
383.08298	2.2
427.35138	1.5
517.09570	5.7
517.15436	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	515.321
Annotation	Unknow
Peak:m/z	Relative Intensity
51.73557	3.8
53.03938	9.5
55.01870	5.7
55.05498	16.3
57.03420	10.4
61.02920	6.1
65.03931	6.9
67.05503	89.5
69.03423	22.2
69.07062	25.6
69.47668	3.6
70.92086	7.1
70.92432	8.7
71.01323	4.5
71.04971	6.5
73.02917	5.6
79.05487	59.8
81.03404	15.4
81.07050	100.0
83.04964	9.4
83.08611	13.2
85.02872	12.6
91.05474	39.4
93.06491	5.4
93.07041	77.0
95.04965	12.9
95.08604	72.4
97.02877	7.1
97.06532	11.3
97.95378	4.0
99.08109	8.9
105.07029	33.6
107.08592	45.2
109.06520	9.2
109.10147	27.7
111.08050	4.4
117.07005	18.7
119.08560	28.3
121.06474	6.9
121.10128	41.3
123.08054	7.4
123.11692	16.9
125.09534	3.5
127.03928	5.3
129.07018	8.6
131.08553	27.3
133.10121	20.2
135.08034	4.5
135.11687	29.5
137.13243	8.3
143.08580	9.7
145.10101	32.5
147.11697	14.5
149.09599	5.4
149.13252	14.0
153.09062	4.8
155.08501	5.8
157.10094	8.3
159.11714	19.1
161.09576	4.4
161.13260	11.9
163.11142	4.6
163.14792	10.4
169.10193	5.7
171.11664	9.0
173.13237	20.7
175.11121	5.9
175.14795	7.8
177.12726	4.6
179.10921	3.6
185.13194	6.1
187.14844	9.2
199.14932	4.6
233.22853	6.1
243.21068	15.3
261.22150	53.6
289.91483	3.7
301.21481	5.8
301.57034	4.1
303.23203	6.6
335.25735	9.4
345.24112	8.9
353.26538	19.4
358.16205	5.1
369.24203	9.2
419.27844	8.7
423.27521	4.4
443.27747	7.5
479.94873	4.6
497.30933	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	515.321
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	5.6
55.05498	21.5
57.03428	11.0
58.28774	3.1
61.02916	9.3
62.39909	3.4
67.05498	82.1
69.03418	15.3
69.07066	20.8
71.04977	7.8
79.05492	56.9
81.03387	13.2
81.06589	7.2
81.07048	100.0
83.04955	6.4
83.08611	9.1
85.02892	11.2
85.06546	4.6
91.05465	43.3
93.07037	54.1
95.04967	9.2
95.08597	66.9
97.02894	5.8
97.06509	6.6
97.13099	3.7
98.20795	8.9
99.08083	9.1
103.03913	4.0
105.07028	25.4
107.04987	4.0
107.08575	35.6
109.06499	9.2
109.10165	27.9
117.07001	14.5
119.08578	24.5
121.10111	34.4
123.08044	6.3
123.11696	11.4
129.06978	9.0
131.08546	26.4
133.10127	16.2
135.08003	4.5
135.11697	20.4
137.13164	4.4
143.08578	5.4
145.06541	4.4
145.10138	16.8
147.07999	5.3
147.11697	12.4
149.13249	15.5
157.10031	4.5
159.11688	17.3
161.13242	13.3
163.14809	6.8
171.11694	5.9
173.13249	10.1
175.14912	4.9
177.12793	5.5
177.65352	3.7
185.09502	4.0
185.13217	4.7
187.14798	11.0
199.14732	5.1
205.15773	4.3
212.60983	3.9
218.16402	4.1
243.21075	9.7
261.22110	31.1
297.22095	5.1
303.23254	8.3
315.23190	5.5
327.23325	4.5
335.25748	17.0
345.24155	6.3
353.26761	20.7
363.25394	5.0
369.24197	6.5
377.26846	4.3
387.25247	4.9
405.26532	5.4
419.27753	10.8
461.28955	7.9
497.30624	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	515.3207
Annotation	Unknow
Peak:m/z	Relative Intensity
52.78428	2.3
53.03924	5.0
55.05503	20.6
57.03420	8.0
57.07057	5.1
61.02913	3.6
65.03922	3.1
67.05495	83.7
69.03408	9.2
69.07052	14.4
69.27013	22.5
73.02897	3.0
79.05481	48.7
81.03409	3.9
81.07047	100.0
81.07531	4.8
82.02232	2.0
83.04978	5.4
83.08605	5.2
85.02892	7.8
91.03931	3.9
91.05460	30.2
93.06578	1.2
93.07024	56.2
95.04961	6.1
95.08591	65.1
96.51390	2.1
97.02879	6.2
97.06508	7.0
97.10147	4.3
99.08110	2.2
105.07008	22.9
107.08577	35.2
109.02844	2.3
109.06504	7.8
109.10131	40.1
111.08083	4.5
113.09666	4.0
117.07008	10.9
119.08559	24.7
121.10118	29.7
123.08000	3.1
123.11688	20.7
129.06961	3.8
131.08539	19.8
133.06487	2.5
133.10103	17.6
135.11697	21.7
137.09514	3.3
137.13231	5.1
143.08545	3.2
145.10092	19.7
147.11652	14.3
149.13228	17.0
151.07521	2.6
159.11684	13.5
161.13260	9.6
163.14821	9.7
169.84431	2.0
171.11696	2.3
173.13190	14.8
175.14754	4.1
177.16391	4.6
187.14828	6.4
205.15805	3.2
219.17618	3.3
243.21075	21.4
261.22095	63.6
279.23123	5.1
303.23138	5.4
317.24594	2.4
335.25778	22.2
345.24152	4.3
353.26834	11.8
369.24020	4.1
405.26590	2.3
419.27567	3.5
497.30780	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	515.3211
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	4.7
55.01866	3.3
55.05492	18.5
57.03409	9.4
57.07076	4.5
59.40613	2.9
61.02908	3.6
65.03934	3.2
67.05499	87.6
69.03397	10.4
69.07053	16.3
71.04980	6.2
71.53175	4.3
72.27240	3.0
79.05067	4.8
79.05482	56.5
81.03397	8.2
81.06593	5.6
81.07048	100.0
83.04990	3.7
83.08610	9.0
85.02873	8.4
85.06528	4.1
91.05476	36.7
93.06487	4.6
93.07032	74.0
95.04945	10.7
95.08600	70.1
97.02849	6.3
97.06521	5.6
97.10146	3.2
99.08073	5.0
105.07030	26.2
107.08588	44.7
109.06479	6.4
109.10143	29.4
113.09569	2.7
117.07011	16.3
119.08584	23.4
121.10128	35.1
123.08032	4.3
123.11657	14.0
129.06938	6.3
131.08536	23.3
133.10129	21.6
135.11664	33.3
137.09608	4.5
137.13187	7.9
143.08556	6.7
145.10091	17.3
147.11723	15.5
149.09637	3.5
149.13231	28.0
152.69775	2.9
157.10048	5.3
159.11641	13.6
161.13246	13.3
163.11186	4.5
163.14787	10.4
171.11681	4.7
173.13258	16.2
175.11093	3.1
175.14917	3.9
177.12793	3.3
177.16360	5.1
185.13213	3.4
187.14799	9.0
201.16275	4.8
228.23166	2.8
233.22604	3.9
243.21072	21.8
261.19415	5.5
261.22095	72.0
279.23071	3.9
326.13828	2.8
327.23300	3.7
335.25656	10.0
338.97684	2.7
345.24036	4.6
351.22366	2.7
353.26813	13.7
369.24173	5.5
387.25473	4.2
405.26129	3.8
497.30945	4.1
534.03058	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	515.1164
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96548	3.1
69.03434	1.4
70.06595	7.1
71.29333	2.1
72.08147	3.8
81.03405	1.8
84.04488	1.0
84.08143	2.3
84.96017	2.1
85.02895	2.7
86.09692	3.3
91.05473	1.1
97.02875	2.5
98.97587	10.3
105.03394	2.3
109.02879	1.3
110.07119	1.1
110.97572	1.4
116.98600	5.3
120.08080	0.9
127.03899	2.3
128.98595	1.5
129.10213	1.5
134.99657	2.6
136.07561	2.4
143.00194	5.1
145.02832	2.0
158.99623	5.0
161.01207	5.2
161.05940	1.3
163.05872	0.9
170.17393	0.9
177.00734	6.6
177.05495	2.3
185.01201	3.0
201.00710	2.0
203.02269	4.0
210.51508	0.8
219.01740	6.5
237.02766	3.9
243.01851	1.6
245.03366	3.2
260.09879	1.2
345.04852	1.2
363.05988	3.9
381.07056	1.0
391.20596	1.1
515.11627	100.0
516.11963	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.1729
Annotation	Phthalocyanine
Peak:m/z	Relative Intensity
70.87363	2.8
70.87732	0.9
72.93783	1.7
81.03407	1.0
85.02888	1.3
90.16483	0.8
90.94827	1.7
104.13349	0.9
132.95834	3.1
137.05951	1.4
144.95847	1.6
151.46275	0.9
158.97400	4.2
162.96931	1.7
168.95848	0.9
173.07144	2.3
174.96872	1.1
176.98512	2.5
177.00687	1.0
186.96974	1.2
187.04440	1.4
191.08163	14.8
198.96962	2.4
200.98450	1.7
216.97974	3.7
234.98946	10.4
251.00266	1.1
253.00186	1.9
259.07895	1.4
266.74329	0.9
277.00125	5.7
289.00052	1.8
291.01550	1.0
301.00085	2.1
313.00232	1.3
321.02502	1.4
329.07080	1.0
347.09406	5.8
349.02167	1.1
353.03073	1.5
353.12305	1.5
379.03152	3.3
515.17365	100.0
516.17572	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.1734
Annotation	Phthalocyanine
Peak:m/z	Relative Intensity
50.01570	0.5
56.96565	0.6
67.05521	0.6
70.06579	2.5
71.51775	0.6
71.52155	0.6
72.08160	1.1
84.04522	0.7
84.08138	1.3
85.02901	0.7
86.09702	0.6
97.02874	1.0
110.07152	0.8
110.09768	0.5
112.11221	1.0
127.03919	0.7
136.91655	0.5
137.06007	0.6
151.07516	1.1
177.05437	0.8
193.23874	0.5
195.79248	0.6
271.13663	0.5
309.31653	0.6
353.11411	1.1
497.24786	4.0
515.17322	100.0
516.17407	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.2098
Annotation	Unknow
Peak:m/z	Relative Intensity
53.85425	0.3
62.55307	0.3
69.03447	0.5
69.07061	0.6
70.06583	0.9
71.04131	0.4
71.04482	0.7
73.67838	0.3
81.07044	0.4
83.08598	0.4
85.02912	1.0
91.05483	0.5
93.87882	0.3
95.08628	0.9
97.02871	0.6
99.04460	0.4
107.08585	0.6
109.10110	0.4
109.55106	0.4
119.08544	0.4
120.08131	0.4
121.10155	0.4
131.08531	0.5
131.42801	0.3
133.10123	0.4
143.01894	0.5
149.09596	0.4
161.02954	0.5
169.03488	0.5
173.03036	0.4
185.04182	0.8
187.04504	0.8
201.03717	0.6
203.05370	1.8
221.05109	0.4
229.05528	0.4
255.09865	0.3
259.07919	2.4
290.34686	0.3
329.07532	0.8
347.09464	37.5
348.09708	0.4
365.10654	1.2
515.20966	100.0
516.21356	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.092
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96560	55.3
69.91132	10.0
74.38846	2.2
84.96031	18.3
85.02851	3.7
97.02849	3.0
98.21458	2.5
98.97572	100.0
100.99143	24.9
110.96874	3.3
110.97561	49.8
112.99068	2.1
116.98615	47.0
119.00121	7.7
119.01884	2.0
124.99057	2.4
126.96973	4.8
128.98607	59.0
131.00096	3.0
134.99663	10.4
139.32228	2.2
140.98604	15.1
143.00154	18.0
143.01831	2.3
144.98071	18.0
146.99626	36.7
149.46500	2.3
152.98492	8.4
154.96423	2.2
158.99640	42.5
161.01114	21.7
161.02548	4.1
162.36433	2.3
162.99065	9.3
165.00714	17.5
170.99640	46.7
172.97581	25.9
173.01070	3.1
173.02817	4.0
174.99059	2.7
177.00710	25.9
182.99532	19.5
183.01578	7.4
185.02943	4.7
189.00697	43.3
189.04185	3.5
190.98616	63.9
195.01553	4.0
201.00705	84.6
202.55026	3.6
207.01653	7.1
208.99690	79.6
213.00574	3.7
214.98647	18.2
219.01746	83.0
223.04767	2.8
223.41765	2.2
224.02150	3.2
227.00609	6.0
231.01511	8.9
232.99680	68.8
237.02789	47.7
243.01765	24.5
244.99509	5.8
245.04939	9.1
246.04959	2.1
247.04626	7.9
250.98497	3.0
251.00751	36.4
255.01457	2.5
255.03885	2.9
260.04340	2.4
261.02798	75.8
263.00702	18.3
273.02710	11.1
274.02313	2.4
275.00537	3.3
279.03854	46.9
281.01657	2.9
291.03833	20.1
293.01700	15.1
299.00421	4.4
303.03998	2.3
309.04602	2.7
317.01755	26.5
321.04944	34.9
323.09763	8.3
333.04807	5.2
335.02847	41.6
335.06638	5.0
351.05844	12.4
353.03879	57.1
353.07999	1.9
354.04050	2.5
381.07013	23.1
399.08029	26.5
479.06219	3.0
497.07974	14.5
515.08899	96.2
516.09503	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	513.3056
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02917	16.9
67.05495	22.9
69.03397	5.9
69.07064	7.3
71.52874	9.1
79.05485	32.8
81.07054	25.9
85.02908	6.8
91.05483	21.6
93.07041	34.7
94.90725	6.4
95.08611	16.2
97.02869	10.5
99.31006	5.1
105.07024	31.7
105.56858	6.4
107.08606	29.0
109.10142	13.0
117.07022	9.6
119.08565	28.9
121.10130	19.8
127.04737	5.5
131.08591	12.7
133.10110	20.2
135.11720	12.5
143.08557	10.0
145.10094	13.3
147.11720	17.0
149.13240	16.6
159.11705	12.5
161.13275	21.1
171.11694	10.7
173.13313	9.4
175.14827	10.4
187.14766	6.4
225.04379	6.3
241.19556	19.3
259.20636	38.0
333.24158	6.8
351.25278	100.0
352.26117	6.1
353.91690	6.0
497.26721	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	513.3054
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	5.7
55.05513	30.1
57.03436	22.8
57.07065	11.6
61.02940	3.2
65.03908	3.0
67.05128	6.1
67.05496	88.3
69.03426	7.5
69.07060	36.2
69.80549	16.2
71.01344	24.2
71.04965	3.3
71.08617	8.8
73.02904	21.6
75.04495	3.3
79.05490	30.5
81.07051	100.0
81.67886	3.0
83.01339	5.2
83.04975	4.0
83.08603	22.3
85.02896	44.4
88.07628	8.7
91.05478	21.4
93.07038	31.5
95.01322	12.5
95.04945	3.6
95.08600	81.0
97.02892	18.7
97.06518	7.6
97.10164	13.9
99.08091	3.6
101.02380	8.1
103.03925	8.7
105.07011	17.8
106.71803	2.8
107.04915	2.9
107.08573	25.1
109.06504	3.9
109.10142	35.2
111.08152	3.9
111.11663	3.9
113.02346	23.1
115.03996	3.2
119.08579	11.5
121.10133	25.1
123.11717	14.6
131.03397	12.3
131.08574	5.3
133.10107	16.3
135.11684	12.7
137.13257	8.4
141.01799	28.8
141.05510	3.3
145.10117	6.5
147.11679	8.6
149.13277	12.0
149.59062	3.1
151.11107	3.5
151.14830	4.4
159.02847	7.6
161.13248	8.2
163.07573	3.4
163.14810	9.0
169.05008	3.5
171.19034	3.1
172.56567	2.8
175.14790	5.0
189.16324	3.7
207.17442	3.8
215.05536	7.5
245.22588	17.9
256.26367	8.9
261.22299	3.6
263.23685	37.5
283.26324	6.6
305.24695	4.9
337.27380	53.4
365.26889	3.3
371.32098	2.9
379.28156	4.0
512.50830	4.1
513.30469	17.7
513.50775	22.7
527.22040	3.1
527.78339	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	513.3053
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	3.2
55.05503	11.9
57.03424	5.1
59.91574	2.2
60.09463	2.0
61.02919	17.2
67.05497	29.8
69.03414	5.8
69.07053	12.0
69.87921	7.8
69.88355	7.6
70.06583	2.9
71.05003	3.6
73.02895	4.2
77.74463	2.2
79.05487	34.1
81.03396	4.4
81.07047	34.8
83.08629	5.5
85.02901	13.4
85.06551	3.3
91.03931	8.5
91.05468	32.2
93.07027	48.3
95.04933	6.4
95.08595	22.3
97.02876	12.5
97.06506	4.7
98.21429	3.0
99.08064	4.7
105.07026	29.0
107.08588	29.0
109.06496	3.2
109.10137	10.2
116.75278	2.4
117.07001	9.1
119.08564	34.7
121.10120	21.7
123.11682	3.6
127.03856	5.0
129.06984	5.5
131.08540	11.2
133.10121	28.0
135.08118	2.5
135.11667	28.4
137.09674	2.5
138.66214	2.8
143.08524	6.6
145.04904	2.2
145.10098	17.5
147.11642	25.8
149.13249	18.4
157.10129	8.3
159.11664	13.6
161.13232	20.3
163.11258	3.4
163.14812	4.6
169.10101	3.7
171.11667	8.8
173.13228	13.2
175.14764	14.0
179.14253	5.4
185.13188	7.6
187.14801	4.2
199.14757	5.8
213.16368	3.6
231.17424	4.3
231.21043	5.0
241.19467	19.7
259.20560	50.4
277.21585	12.5
301.21201	3.0
333.24051	7.3
349.23511	7.3
351.25262	100.0
351.29562	4.8
352.25519	2.6
441.26230	5.9
459.27866	3.6
477.28299	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.2539
Annotation	Ethyl 3-hydroxyoctanoate 3-O-beta-D-glucopyranosyl-(1->6)-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
50.39626	3.2
53.20297	3.2
55.05502	14.3
57.03442	5.5
59.04990	4.0
61.02917	5.8
67.05497	14.7
69.03432	20.0
69.07060	38.0
70.06584	24.8
71.05008	5.2
71.52980	6.6
72.08152	4.9
79.05484	11.8
81.03404	8.0
81.07050	38.6
83.04977	3.6
83.08655	6.2
84.08145	8.4
85.02901	73.1
85.06545	3.8
86.09708	13.1
91.03952	4.9
91.05475	16.0
91.21136	3.3
93.07030	48.4
95.04943	5.6
95.08600	51.6
97.02865	22.2
97.06524	11.0
99.99595	4.0
100.91611	3.6
105.07030	6.6
107.08591	49.3
109.02870	6.0
109.10133	33.6
110.07185	6.0
116.98684	4.0
117.42995	4.4
119.08542	8.6
120.08109	11.5
122.06025	10.3
123.11696	13.1
127.03928	24.0
129.10222	8.8
135.11679	73.6
136.07573	5.2
137.13292	5.7
140.07060	8.2
145.04977	34.3
146.06007	12.1
153.12726	100.0
163.06020	10.1
168.06537	4.7
171.13785	24.5
173.05072	3.9
174.05478	7.3
189.14836	38.9
219.01816	4.5
276.60352	4.0
298.20654	3.5
299.10199	5.7
313.11905	9.7
323.40222	4.0
341.11316	11.2
440.17816	3.9
482.19153	14.5
513.19690	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	513.1574
Annotation	Unknow
Peak:m/z	Relative Intensity
50.47403	0.5
51.55229	0.5
56.96575	0.6
57.29468	0.5
59.23447	0.6
63.54536	0.5
66.09833	0.5
69.03419	0.7
70.06583	2.1
70.31914	2.2
72.08138	0.6
82.05542	0.5
84.08141	0.9
85.02883	2.5
91.05494	0.9
97.02876	0.8
110.07150	0.7
127.03886	0.7
127.40833	0.6
128.98640	0.5
143.01878	1.0
145.03595	0.6
145.04936	0.8
151.07562	1.5
153.12715	1.3
153.30377	0.7
169.03383	1.1
187.04510	1.3
189.05260	1.7
203.05286	0.7
221.05035	0.8
240.58800	0.7
329.07193	1.1
347.09500	6.3
351.11554	0.6
496.24185	0.8
513.15753	100.0
514.16028	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	512.27
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	13.6
59.37976	5.9
63.35303	5.1
65.03928	7.7
67.05499	15.3
69.03430	16.1
69.07074	18.2
70.06597	19.0
70.43644	12.6
70.44017	10.0
72.08145	7.2
76.36028	6.5
81.03393	10.6
81.07050	43.0
84.08141	6.8
85.02903	26.1
86.09706	17.0
87.00813	12.4
91.05488	8.2
93.07040	16.8
95.08608	60.7
97.02898	8.3
98.20693	6.3
105.01851	13.8
107.08603	9.8
109.02847	14.4
109.10173	29.7
111.04496	6.9
119.08602	14.8
120.08112	29.1
123.57587	5.6
127.03916	14.7
133.10098	16.6
135.11768	7.9
137.09596	8.0
139.21573	5.7
141.60481	5.6
149.05995	20.8
149.13275	14.1
151.14819	100.0
151.15935	10.8
153.05475	15.7
162.21497	6.2
175.14781	30.0
183.11642	6.0
193.15881	77.3
195.06581	8.6
211.16936	82.1
229.17973	20.4
265.25638	7.1
303.04608	8.7
306.28711	5.9
317.06641	19.7
318.07047	30.5
495.05682	6.9
512.12720	22.6
512.19843	9.5
513.26587	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	512.27
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	4.4
55.01859	2.5
55.05503	3.1
57.03425	5.8
57.07069	3.3
59.04987	1.5
61.02686	0.7
61.02923	7.4
65.31142	0.8
67.05491	6.4
69.03424	15.7
69.07063	21.0
69.98997	4.3
70.06569	2.4
71.04986	4.7
72.08144	0.9
73.02901	3.1
79.05487	20.7
81.03411	7.4
81.07047	7.3
83.08613	4.8
85.02899	100.0
85.17678	0.8
87.04459	1.7
90.89628	1.1
91.03952	4.7
91.05465	6.6
93.07037	37.7
93.07635	1.8
95.04955	2.9
95.08605	8.1
97.02878	23.3
97.06510	4.1
99.04458	4.1
101.02366	0.9
105.07013	2.6
107.08588	36.3
109.02870	8.7
109.10135	6.2
119.08572	1.6
125.13248	3.4
127.03905	26.3
133.10176	1.0
135.11682	72.8
145.04947	43.5
146.06020	1.1
153.12737	27.2
159.11746	0.8
163.05988	19.7
174.91689	0.8
204.16849	0.8
271.08173	1.2
294.86343	0.8
325.11218	1.8
450.11292	0.9
512.20099	1.5
512.33887	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.1308
Annotation	Unknow
Peak:m/z	Relative Intensity
52.79551	1.4
62.37508	1.7
63.45057	1.4
69.03416	1.7
71.51778	1.3
71.52152	1.6
72.38593	1.3
77.79291	1.3
77.95587	1.4
79.08674	1.5
82.07678	1.4
85.02897	1.9
97.01367	1.4
97.02884	2.6
101.00854	6.8
115.02412	4.1
119.01900	9.7
127.02428	2.1
131.01910	8.7
133.03439	16.0
137.02933	1.6
143.01862	14.8
144.97543	1.5
145.03459	16.7
147.04939	2.2
155.01888	12.8
157.03456	6.9
157.04832	2.6
159.04990	11.0
159.35591	1.9
161.02940	17.1
163.04517	3.3
167.01868	3.3
169.03404	13.4
171.05019	6.8
173.02974	16.7
175.04471	4.1
177.06029	3.6
179.01790	1.5
181.03409	3.1
183.05009	4.7
185.02951	18.2
185.06631	3.0
187.04491	21.4
190.52673	1.5
193.03366	2.6
195.07109	2.0
197.03049	9.0
199.04451	4.2
201.06055	2.7
203.03947	9.5
211.04535	4.7
213.06175	1.8
215.03938	3.9
219.07111	18.5
219.50562	1.4
221.05058	7.3
225.05954	2.5
227.04041	2.3
229.05489	3.4
231.03467	13.5
231.07101	15.6
233.08704	3.5
243.03427	3.7
245.05037	52.7
246.05367	1.5
247.04727	2.1
249.04628	4.0
255.07153	6.3
257.04993	2.4
259.06708	2.8
261.04520	7.0
261.08044	3.4
263.06168	6.6
271.06677	11.1
273.04602	2.0
273.08127	5.8
275.06070	4.8
282.35675	1.5
289.07742	5.5
291.05551	8.3
293.07089	2.0
305.07062	2.7
315.05496	5.6
321.10272	100.0
322.10635	2.9
333.06891	7.4
335.08197	2.3
339.11282	5.3
351.07578	12.1
365.09149	5.0
477.10764	2.1
495.11783	15.6
500.48013	1.7
513.12689	81.9
514.13531	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	512.2699
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01856	3.5
55.04525	2.4
55.05503	6.8
63.37225	2.4
65.03941	5.2
67.05488	11.3
69.03412	9.8
69.07064	14.6
70.06583	15.1
71.04964	2.9
71.53037	5.1
72.08144	3.5
73.02903	2.5
79.05484	4.2
79.29154	2.4
81.03410	4.9
81.07044	36.4
83.08594	6.8
84.08141	4.1
85.02892	21.0
86.09682	13.6
87.00808	9.9
91.05463	9.0
93.03378	4.0
93.07024	11.1
93.18837	2.3
95.04959	3.2
95.08598	63.2
97.02872	9.4
97.10181	5.1
99.04451	2.9
105.01836	10.6
105.07014	8.4
107.08575	7.8
109.02840	5.4
109.10154	21.9
110.07199	3.0
111.04476	3.2
111.11709	3.4
119.08560	9.1
120.08132	13.3
121.10140	4.2
123.11731	3.3
125.05959	5.9
127.03887	12.7
129.10182	4.6
131.08533	3.8
133.10110	10.4
135.11673	5.9
143.37674	2.7
147.11702	5.6
149.05977	16.0
149.13266	14.7
150.06287	8.2
151.14804	100.0
153.01808	4.0
153.05444	11.9
154.05791	4.9
155.08275	3.2
159.80507	2.4
165.16328	5.5
174.25720	2.5
175.14796	28.7
193.15869	60.5
195.06490	5.7
211.16916	86.2
229.18007	19.9
231.04985	3.0
247.19031	15.6
275.05017	3.6
287.05365	3.3
290.23349	2.6
302.04230	4.3
303.04529	4.4
315.04956	4.9
316.05368	9.4
317.06598	16.5
318.06863	23.1
349.52002	2.9
394.97458	2.5
395.90164	2.7
512.12488	16.5
512.19910	5.9
512.28174	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	512.2698
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	4.3
55.01857	2.9
55.05502	3.6
57.03433	7.4
58.80256	2.7
59.17072	2.8
61.02915	5.1
61.65182	3.0
62.29123	2.7
67.05515	4.4
69.03414	20.7
69.07053	6.1
69.87886	19.6
70.06586	9.7
71.34314	2.7
72.08137	3.8
72.18543	3.4
73.02919	3.1
78.50139	3.5
79.05489	10.0
81.03405	11.0
81.07071	5.1
83.04982	5.3
84.08121	4.6
85.02900	100.0
91.03925	6.4
91.05470	13.1
93.07034	45.2
94.06591	6.3
95.04961	5.1
95.08617	15.5
97.02891	23.6
98.20831	4.3
99.04449	3.9
105.07011	7.4
107.08583	79.9
109.02872	7.7
110.07092	3.6
120.08135	3.7
122.06026	7.5
127.03920	28.5
135.11681	81.4
140.07060	10.5
145.04942	39.4
146.05954	7.9
148.07533	16.9
152.07033	4.5
153.12738	19.7
156.71835	3.3
163.05981	15.6
183.13792	6.9
211.12294	5.8
225.10271	7.1
226.11046	6.2
237.09988	5.2
238.10915	4.2
239.11795	24.0
265.09668	4.0
267.11304	13.6
279.11292	6.6
287.13748	22.4
293.09283	6.2
298.13000	6.1
299.13895	11.5
309.12378	6.3
325.11957	3.7
327.13354	43.6
348.73438	3.3
353.11295	16.8
383.65866	3.9
432.99484	3.7
468.21182	14.4
494.19385	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	511.2893
Annotation	Unknow
Peak:m/z	Relative Intensity
53.61076	3.6
55.05512	8.3
57.03415	5.8
61.02907	18.9
61.45720	3.7
67.05492	15.8
69.03424	8.1
69.07061	11.8
70.06557	4.8
71.52524	4.8
72.19810	3.9
73.02917	7.3
79.05476	29.6
81.03410	12.0
81.07046	100.0
83.04974	4.8
85.02899	20.2
91.03939	7.0
91.05499	19.5
93.07030	14.1
95.08611	9.8
97.02888	15.3
99.04438	6.6
102.93404	3.4
105.07021	27.3
107.08552	6.2
109.06497	38.8
112.55459	3.4
119.08562	13.6
121.10143	9.2
127.03963	5.4
131.08582	9.2
133.10139	16.3
145.10085	4.9
147.11655	11.3
149.13260	11.2
159.11636	6.2
163.14809	4.0
247.20685	7.2
275.20081	71.0
300.30856	4.4
341.00940	4.1
349.23691	20.1
399.16800	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	512.27
Annotation	Unknow
Peak:m/z	Relative Intensity
52.15321	1.1
53.03942	6.3
55.01863	3.1
55.05505	6.1
57.03416	5.5
60.62473	1.1
61.02927	9.9
65.03933	2.2
67.05483	5.3
69.03423	18.9
69.07043	5.3
69.92258	2.6
69.92667	4.8
70.06599	2.0
71.04964	3.3
72.08136	1.5
73.02893	3.4
79.05481	10.9
81.03416	7.5
81.07054	7.9
83.04969	2.1
84.04485	2.1
85.02896	100.0
86.09663	2.6
87.04461	2.3
91.03944	6.2
91.05471	16.6
93.07034	72.1
95.04961	3.5
95.08601	13.8
97.02876	29.2
97.06513	6.3
99.04446	6.1
103.03924	1.4
105.07001	5.7
107.08583	94.3
108.08925	1.3
109.02856	10.9
109.06500	2.8
109.10128	7.2
119.08546	2.1
121.10162	1.6
124.07604	1.4
127.02991	1.5
127.03902	25.2
131.08533	1.3
133.10069	1.5
135.11679	74.4
143.06989	1.3
145.04944	41.0
153.12740	13.8
163.06004	19.8
165.12738	3.3
171.13831	3.0
177.05556	1.7
201.59865	1.2
213.12514	1.1
261.14981	1.1
325.11310	2.9
332.13904	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.2898
Annotation	Unknow
Peak:m/z	Relative Intensity
51.60776	2.2
53.03934	10.5
55.01866	18.3
55.05509	18.4
57.03424	17.6
61.02912	4.1
65.03912	2.3
66.06306	2.4
67.05502	41.9
69.03425	33.7
69.07063	44.9
70.06567	2.5
70.77882	6.7
71.04984	5.8
73.02901	4.5
79.05489	45.0
81.03414	48.4
81.07050	100.0
81.07530	5.8
83.04986	11.6
83.08617	11.3
85.02905	20.7
85.06547	2.7
86.09702	4.5
91.03946	2.9
91.05480	39.0
93.07037	34.2
95.04966	16.9
95.08602	34.5
97.02879	24.6
97.06512	23.7
97.10146	5.6
99.04430	7.3
99.08096	4.9
100.11263	2.5
105.07027	32.9
107.04929	10.6
107.08582	21.7
109.02866	9.9
109.06512	28.2
109.10152	11.1
110.07172	2.7
111.04459	4.5
111.08068	6.6
117.06998	13.1
119.08584	31.6
120.08046	3.7
121.06502	10.2
121.10100	14.9
123.04438	3.6
123.08047	9.9
123.11713	7.5
125.09621	2.7
127.03908	16.8
129.06982	6.3
131.08569	17.7
133.06494	3.2
133.10124	19.4
135.08031	7.1
135.11670	7.2
137.05986	3.6
137.09619	6.7
141.06935	3.8
143.08487	5.6
145.06453	5.4
145.10094	12.3
147.08032	4.1
147.11642	17.4
149.09593	10.0
149.13235	9.7
151.11142	3.1
157.10120	4.2
159.08035	3.4
159.11691	11.8
161.09572	6.9
161.13232	6.4
163.11186	11.4
163.14879	3.6
165.12775	7.0
169.10080	3.7
171.11673	5.1
173.09596	4.4
173.13208	7.5
175.11118	3.9
177.12727	3.4
179.14304	4.0
183.06433	3.7
187.14792	2.4
189.12724	3.7
193.12222	5.5
197.13228	2.8
201.12773	3.7
207.13718	2.7
229.19481	7.0
239.17891	2.7
247.20619	11.0
248.71411	2.1
257.18933	9.1
275.20044	78.0
293.21042	9.8
317.21155	2.8
349.23755	31.7
367.24976	5.4
371.22067	3.2
373.23441	4.4
391.24652	7.9
419.24487	4.8
445.25797	3.3
457.25409	2.9
475.26974	3.0
493.27615	4.6
511.29178	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	511.2897
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	2.9
55.01848	4.8
55.05500	9.5
57.03430	11.2
57.07061	2.4
61.02921	26.7
67.05499	23.0
69.03423	13.7
69.07058	9.9
69.46188	1.1
69.97276	3.6
69.97681	3.2
70.06578	1.4
70.61900	1.1
71.01346	1.8
71.04973	1.9
73.02909	11.5
76.19843	1.1
79.05479	17.0
81.03413	14.6
81.06590	1.7
81.07048	24.9
83.04948	6.9
83.08591	4.5
85.02894	24.2
85.06507	1.6
85.22986	1.3
91.03934	13.0
91.04986	1.5
91.05476	16.9
93.06500	1.6
93.07034	20.2
95.04929	5.8
95.08593	16.7
97.02885	20.3
97.06493	3.6
99.04432	5.4
101.02348	4.8
103.03912	3.0
103.55276	1.1
105.07014	19.3
107.04957	7.7
107.08579	13.4
107.93266	1.3
109.02883	6.9
109.06522	8.6
109.10132	5.6
111.08059	2.2
117.02856	1.2
117.07011	6.2
119.08577	13.1
121.06460	8.6
121.10129	6.9
123.08023	4.7
123.11684	2.4
127.03909	13.9
129.06953	3.9
131.08568	14.7
133.06488	2.4
133.10114	14.3
135.08041	5.6
135.11652	5.5
137.05925	1.9
137.09563	3.1
143.08545	2.2
145.04973	2.5
145.06442	2.7
145.10106	10.5
147.08005	3.6
147.11668	10.0
149.09598	5.7
149.13242	1.5
151.11150	2.9
155.08493	2.1
157.10091	3.4
159.08002	3.7
159.11667	6.8
161.09627	2.9
161.13216	2.7
163.11153	6.0
171.11644	2.0
173.09584	3.7
173.13286	6.6
174.30124	1.5
177.12697	1.5
183.06511	3.4
187.11159	2.3
187.14737	1.7
191.14223	2.5
199.14806	1.8
201.07498	2.3
201.12717	3.0
207.13744	4.0
215.14243	2.2
215.17981	1.8
219.13765	2.0
229.19496	2.8
239.17949	1.9
247.20535	4.9
257.18997	14.6
275.20029	100.0
293.21051	12.6
349.23712	39.0
377.23108	4.1
391.24652	10.8
457.25546	3.0
475.26694	1.9
493.27994	2.0
501.45621	1.6
511.29016	4.8
533.59882	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.3639
Annotation	Unknow
Peak:m/z	Relative Intensity
52.76665	5.8
55.05507	7.7
57.07075	38.7
59.04235	6.1
60.08149	13.6
67.05486	11.7
69.23261	44.0
69.23673	11.9
71.07361	9.2
71.08621	29.1
81.07047	15.7
83.08585	9.5
85.10176	16.7
85.43143	5.7
86.09705	55.9
95.08598	33.5
104.10740	100.0
109.10133	11.2
124.99957	28.2
158.04956	5.0
184.07339	92.0
199.67659	5.7
234.60449	5.6
235.01260	5.4
239.23718	29.8
283.08423	6.3
311.72150	4.9
313.27301	77.1
389.17294	5.9
492.34418	9.7
510.35519	25.2
511.15460	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	511.29
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	9.9
55.05499	17.1
56.51158	5.3
57.03423	14.0
61.02916	15.1
67.05493	40.5
69.03418	18.1
69.07061	19.0
70.06592	6.4
71.05002	10.0
71.52726	9.6
71.53116	5.2
73.02890	9.6
79.05487	38.3
81.03407	21.6
81.07049	49.1
83.04961	14.6
83.08621	10.7
85.02894	23.2
85.06554	6.0
91.03940	9.6
91.05472	31.3
93.07048	32.0
95.04959	11.3
95.08585	20.8
97.02853	23.3
97.04646	4.5
97.06544	5.2
99.04452	5.5
104.61580	4.8
105.07012	28.9
107.04974	10.5
107.08571	25.2
109.02875	12.2
109.06515	11.4
109.10133	10.9
117.06974	7.8
119.08563	22.5
121.06490	6.0
121.10136	13.5
121.40449	4.8
123.08048	5.5
127.03949	13.7
128.70808	4.8
129.07089	5.2
131.08578	14.1
133.10143	22.5
135.11772	5.3
137.09618	7.1
144.91908	6.4
145.10138	13.3
147.11693	16.9
149.09628	14.6
151.11160	10.5
159.08134	5.1
159.11731	5.3
161.09657	5.4
161.13354	4.9
163.11198	10.6
171.11694	4.9
229.19398	7.1
247.20680	6.2
257.19083	15.2
275.20032	100.0
293.21045	15.0
349.23694	41.8
511.28653	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	510.3421
Annotation	Unknow
Peak:m/z	Relative Intensity
50.70512	1.4
57.07064	2.8
62.96162	1.5
65.03918	1.8
70.06596	14.8
71.08611	1.9
71.52677	1.8
84.08141	2.2
86.09702	1.7
88.07619	3.8
132.10188	5.7
139.03860	2.5
146.11729	5.8
149.02330	51.0
149.03406	3.6
163.79820	1.5
173.03957	1.8
193.04942	53.9
212.23663	2.2
237.07542	63.6
256.26379	3.4
281.10211	1.8
300.28949	26.8
433.42691	1.5
448.30624	4.8
510.34195	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.3636
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	17.4
57.07070	100.0
59.72268	6.8
67.05492	27.7
69.03417	19.7
69.07054	28.6
69.18924	70.5
71.08627	78.7
76.94028	6.7
81.03391	11.1
81.07066	50.4
83.08617	25.0
85.02888	27.5
85.10159	32.0
86.08314	7.6
95.08604	65.5
97.02887	31.7
97.10162	19.1
99.04410	9.4
109.02852	10.4
109.10147	34.1
123.11682	12.8
124.33977	6.5
127.03909	31.0
145.04964	17.4
195.91264	7.2
197.13521	8.3
239.23669	92.3
282.24789	6.9
303.54984	7.4
304.50949	7.1
312.22318	7.6
313.27396	36.7
383.27850	46.5
399.29526	7.5
401.28946	88.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.2543
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.2
55.01863	2.0
57.03432	3.7
57.07069	0.9
59.04985	0.7
61.02921	9.1
67.05499	1.7
69.03425	15.7
69.07062	27.5
69.23072	5.0
71.04981	2.2
73.02908	2.4
81.03410	7.5
81.07044	7.3
83.01331	0.8
83.02548	0.6
85.02895	100.0
87.04464	1.6
91.03947	5.8
91.05483	0.6
93.07053	0.6
95.04955	0.6
95.08606	1.8
97.02882	29.1
99.04450	3.7
103.03957	1.1
109.02865	7.2
109.10127	4.2
115.03944	0.9
121.10163	0.9
123.11690	39.9
126.61874	0.7
127.03903	28.0
133.10098	0.7
144.06557	2.2
145.04945	56.0
151.11162	42.8
162.07613	0.9
163.05995	20.5
169.12209	3.8
180.08676	1.0
181.07182	0.6
203.33327	0.6
289.08868	0.7
313.16489	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	510.3271
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	2.8
55.01866	3.5
55.05509	5.9
56.05029	5.6
57.03421	4.0
57.07064	1.0
57.10217	0.8
59.04997	6.5
60.04522	100.0
61.02921	6.2
65.03925	2.1
67.05499	16.9
68.05016	2.1
69.03087	1.4
69.03428	18.6
69.07065	5.3
69.87330	3.0
69.87756	1.9
70.06587	34.3
71.04987	10.0
72.04515	5.9
72.08157	4.3
73.02911	2.5
74.06076	5.4
79.05489	14.5
80.05012	1.5
81.03400	7.9
81.07050	30.7
82.06577	1.6
83.01338	0.8
83.04989	1.7
83.08614	2.8
84.04487	4.5
84.08136	2.1
85.02900	56.5
85.06494	1.2
86.03226	0.8
86.06069	4.7
86.09710	7.7
87.04461	3.0
90.05565	1.7
91.03956	2.4
91.05472	14.6
93.07030	16.5
94.06576	2.7
95.04962	5.0
95.08597	15.2
96.08105	2.1
97.02884	18.3
97.06489	1.5
98.06051	2.4
99.04472	4.1
99.08071	1.0
102.05513	4.1
103.03949	1.0
104.07104	5.8
105.07014	8.3
107.04952	1.5
107.08592	13.7
108.08134	1.1
109.02861	5.1
109.06503	5.5
109.10144	16.1
110.06075	1.4
110.07117	1.6
111.04446	2.5
111.08057	4.6
117.07026	2.9
118.06483	1.9
119.04958	1.2
119.08561	4.4
119.42030	0.8
120.08092	4.0
121.06493	2.2
121.10113	7.6
122.05994	1.5
123.04425	2.1
123.08059	2.1
123.11697	17.9
124.07556	1.0
125.05969	1.0
127.03920	12.1
128.06187	1.1
129.06987	1.5
130.05003	1.6
131.08501	4.2
133.10120	12.4
134.05968	2.4
135.06758	0.9
135.11726	3.7
136.07582	7.6
137.05988	2.1
143.08582	1.7
145.03900	1.5
145.04948	12.5
145.10175	1.8
146.05969	4.4
147.11676	3.1
149.05965	1.0
149.09633	1.0
149.13301	1.9
151.03996	1.0
151.11168	41.7
153.05479	3.4
153.12755	1.7
158.04521	1.7
159.08058	1.7
159.11684	1.2
161.05948	1.0
161.13216	1.2
162.05502	1.3
163.06010	3.8
163.07278	0.9
163.14807	0.9
165.05489	1.8
165.09149	1.0
167.07114	1.2
169.12213	13.1
170.08112	1.4
171.11610	1.5
173.13217	1.3
176.05557	1.2
182.08127	2.1
185.13370	1.3
188.09227	2.8
188.10785	1.4
195.06534	2.2
204.08640	1.5
206.10248	2.9
210.50154	0.9
216.10129	1.0
217.13451	1.3
222.09698	1.1
224.11179	4.9
227.16489	2.0
244.09677	1.2
245.12939	1.3
276.23264	3.5
276.92706	1.1
286.10532	0.9
294.24380	5.2
312.25272	8.8
313.16479	2.9
315.13300	1.6
317.06644	3.8
325.11542	2.1
330.26379	23.2
331.17548	3.4
348.27411	70.9
349.27771	2.1
368.19968	1.4
369.06485	1.1
369.20004	2.1
372.27530	2.1
385.68042	1.6
390.28635	2.8
408.68076	1.5
426.28424	1.2
438.28748	1.5
456.29593	2.9
474.30865	2.7
482.28326	1.0
492.31613	10.3
510.32797	67.8
511.12231	2.3
511.33038	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.2542
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	2.3
54.21997	0.9
55.01858	2.3
55.05499	1.3
57.03423	3.3
57.07062	1.2
59.04993	8.2
60.04519	21.8
61.02915	6.9
66.44218	1.0
67.05492	7.4
69.03419	14.3
69.07057	1.2
70.06572	4.4
70.58418	2.3
70.58820	2.2
71.04989	17.4
73.02908	2.5
79.05461	6.8
81.03414	5.9
81.06590	1.6
81.07053	24.6
85.02898	73.3
86.06052	1.0
86.09711	1.7
87.04439	2.3
91.03947	2.5
91.05460	4.9
93.07039	13.3
95.04964	3.1
95.08589	4.1
96.63880	1.0
97.02879	19.1
99.04444	3.5
101.03938	1.0
102.05502	1.1
105.07013	4.7
107.08581	13.8
109.02879	5.9
109.06516	7.8
109.10146	18.2
111.08060	8.0
115.03954	1.2
120.08077	1.8
121.06508	1.3
121.10143	1.9
123.08099	1.6
123.11694	32.1
123.36614	1.0
127.03908	17.7
133.10109	15.3
135.11659	1.3
136.07610	2.3
143.08592	1.3
145.04945	29.1
145.10124	1.6
146.06003	1.0
151.03036	0.9
151.11163	100.0
152.11490	1.7
153.12714	3.5
159.11612	1.0
163.06012	14.6
169.12227	32.6
201.63780	1.2
206.10312	1.3
212.62865	1.1
212.65175	1.1
222.09758	1.2
227.14096	1.0
276.22885	1.2
277.14224	1.2
294.24252	1.2
295.15405	4.0
312.25360	1.7
313.16391	7.6
325.11209	6.2
330.26413	5.7
331.17435	13.3
348.27448	12.8
492.31519	3.1
510.32648	16.7
512.19739	1.2
523.85693	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.2458
Annotation	Unknow
Peak:m/z	Relative Intensity
51.52479	1.0
55.01867	3.6
55.05497	2.9
57.03430	1.9
63.08371	1.2
64.74706	1.0
67.05492	4.7
69.03426	2.0
69.07068	9.3
70.06578	1.7
71.13731	2.2
79.05471	4.3
81.07051	23.7
83.04982	2.9
83.08592	1.6
85.02898	2.7
86.09692	1.3
91.05482	2.7
93.07036	3.3
95.04974	1.1
95.08599	7.5
97.06495	1.7
105.07023	2.5
107.08572	3.4
109.06534	8.3
109.10143	4.3
111.04443	15.9
111.05149	2.0
119.08595	3.2
121.10168	2.5
123.08109	2.0
123.11691	4.7
125.05993	4.8
130.65541	1.0
131.08551	3.0
133.10121	4.8
135.08051	3.7
135.11684	4.9
137.05966	100.0
137.13226	1.8
138.06329	1.7
147.07954	2.7
147.11652	7.7
149.09578	4.8
151.07552	3.4
151.11154	6.1
157.10115	2.2
159.11716	1.8
161.09593	6.7
161.13258	1.7
163.11165	3.4
163.14815	1.4
165.09109	1.7
171.11728	1.1
175.11186	6.3
179.10638	2.5
189.12746	1.5
193.12343	1.3
203.17950	6.7
213.16382	2.8
221.18915	2.4
224.20476	1.2
231.17433	6.0
238.92873	1.0
239.44414	1.1
249.18430	6.3
277.17978	49.5
278.18286	1.5
279.11075	1.8
291.11145	1.5
295.19025	15.3
297.37375	1.1
309.12299	1.8
313.16599	2.7
317.48703	1.1
320.22293	3.3
351.21622	61.1
352.22244	2.4
369.14319	3.4
369.22687	28.1
370.14978	1.3
492.23633	1.5
510.23102	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.2181
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	1.3
55.01853	1.7
57.03422	2.5
61.02920	5.6
65.03922	1.0
69.03421	9.4
71.04995	0.8
71.27601	1.4
73.02896	1.8
81.03420	4.1
85.02898	53.8
87.04437	0.9
91.03957	2.3
91.05479	12.7
95.04966	2.3
97.02887	18.1
99.04452	2.5
99.64772	0.7
109.02866	4.8
119.04925	12.2
127.03900	12.4
136.05200	1.6
137.05928	3.4
145.04956	23.6
151.07532	100.0
152.07910	1.1
163.05991	8.0
165.09201	0.8
169.08595	13.4
177.00699	0.7
179.06947	0.8
193.08606	1.9
235.09659	0.9
251.00957	0.7
259.09555	1.1
277.10742	3.4
295.11682	1.4
404.89185	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.218
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.0
55.01855	1.2
57.03426	2.0
61.02924	3.0
69.03080	0.6
69.03421	6.5
70.06591	0.4
70.97335	0.9
71.05000	0.7
73.02901	1.3
76.03002	0.3
81.03413	2.8
85.02898	37.3
87.04475	0.8
91.03938	1.5
91.05470	10.6
95.04961	2.4
97.02883	11.5
99.04426	1.6
105.07052	0.4
109.02856	3.2
109.47041	0.3
119.04929	9.9
121.77865	0.4
127.03907	9.9
130.40787	0.4
136.05197	1.2
137.05971	1.2
140.08916	0.4
144.06612	0.5
145.04951	16.2
151.07530	100.0
152.07864	1.4
155.32352	0.3
157.06587	0.5
163.06010	6.9
163.07404	0.7
165.09067	2.5
166.89885	0.3
167.07018	0.4
169.08598	15.4
175.07520	0.7
179.07027	0.5
180.08511	0.5
181.08571	1.8
185.05849	0.4
185.24506	0.4
186.05824	1.1
189.09052	1.1
193.08620	3.4
196.64281	0.3
205.08641	0.4
209.08067	0.8
215.06921	0.4
217.08672	0.8
219.10214	0.5
235.09654	1.4
247.09715	0.5
259.09637	1.5
265.10641	0.9
277.10645	3.6
295.11734	2.3
325.11075	0.4
331.13751	0.4
346.99411	0.4
391.74438	0.4
398.85904	0.4
400.11511	0.3
496.70901	0.4
511.13693	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.2873
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05489	12.7
55.63788	3.7
57.03423	8.2
67.05508	23.8
69.07051	13.6
70.35469	15.4
79.05471	8.6
81.07042	26.8
82.19458	4.6
83.08629	4.8
90.71931	4.4
91.05463	8.7
93.07019	6.6
95.08595	27.7
98.98450	54.9
107.08578	9.3
109.10156	12.3
121.10171	6.5
155.01062	7.2
159.90245	4.2
173.02065	10.0
337.27350	100.0
352.41840	4.5
366.12350	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	510.1816
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.2
55.01878	0.8
57.03429	1.6
58.63817	0.4
61.02929	3.1
69.03429	5.4
70.06595	1.7
71.04993	1.1
71.52545	0.8
72.57919	0.4
73.02903	2.0
81.03403	4.2
84.04499	0.6
84.08187	0.5
85.02896	32.7
86.09705	1.7
91.03952	1.3
91.05475	0.8
93.07047	1.0
95.04951	0.8
96.02113	0.7
97.02889	10.3
99.04456	1.4
100.82224	0.5
103.05471	0.6
107.04926	1.1
109.02853	3.6
110.03631	3.4
110.07133	1.2
111.04429	1.1
115.03899	1.0
120.08089	0.7
121.06467	0.9
125.05978	1.2
127.03892	9.1
129.10254	0.8
136.07501	0.6
137.02327	72.4
138.02644	1.2
142.75038	0.5
145.04950	12.8
155.90295	0.5
163.06020	3.1
169.04947	100.0
170.05289	0.8
181.08592	5.6
199.09653	6.9
289.01523	0.6
326.82101	0.5
426.35397	0.5
466.08365	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	508.2383
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68587	0.7
52.57086	0.9
53.03939	1.2
55.01868	1.7
55.79794	0.9
56.05013	1.0
57.03416	2.1
61.02915	3.4
69.03420	7.3
69.05459	0.8
69.36315	1.7
69.36643	8.4
70.06588	3.8
71.05007	1.4
72.08134	1.9
73.02908	1.2
81.03423	2.7
84.04525	1.0
84.08136	1.9
85.02898	33.4
86.09732	2.2
87.04486	1.0
89.92244	0.8
91.03976	1.1
91.05484	3.3
91.74979	0.8
93.07059	1.2
95.04981	1.3
97.02898	9.2
99.04459	2.5
103.05447	1.1
105.07045	1.6
107.04948	2.7
107.08589	2.1
109.02854	2.9
109.06512	2.5
119.08612	1.1
120.08102	1.6
121.06496	84.0
121.10174	1.2
122.02719	2.5
123.08045	1.1
127.03921	6.9
129.10217	1.5
131.08540	1.0
133.10127	2.0
135.11783	1.1
145.04959	13.0
147.07996	1.2
149.09605	100.0
150.10056	0.9
161.09645	2.9
163.06023	4.8
163.11172	1.7
167.07016	1.8
167.10664	23.8
173.09648	2.9
177.09045	1.4
179.10687	3.2
187.10939	1.1
189.09119	1.0
191.10692	3.0
197.11711	9.6
207.13808	2.7
215.10612	1.1
225.14877	4.1
263.12576	0.9
275.12778	3.8
293.13779	2.4
346.16800	0.9
347.07657	1.3
359.17023	1.6
416.19373	1.0
460.86761	0.9
489.81808	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	508.2389
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	1.6
55.01856	1.9
57.03431	4.6
60.82378	2.1
61.02922	10.5
69.03434	18.0
70.06599	4.9
70.07622	7.8
71.04992	3.6
72.08147	3.6
73.02900	4.1
81.03400	6.1
84.08153	3.0
85.02902	100.0
86.09706	6.1
87.04469	2.3
91.03951	6.6
91.05472	3.3
97.02892	25.5
98.21545	1.7
99.04455	4.7
103.03978	2.4
107.04944	2.1
109.02868	8.5
109.06512	4.8
120.08076	2.1
121.06500	19.5
121.10142	2.2
127.03905	24.5
135.11665	3.0
145.04945	40.8
145.06018	2.7
149.09615	92.5
159.08080	8.7
161.09590	6.4
162.52052	1.6
163.05984	14.0
167.07031	1.9
173.09666	8.9
174.63699	1.7
179.10736	2.7
185.09558	2.5
197.09950	2.2
197.11688	10.7
203.10704	1.9
206.04460	3.9
243.16020	1.9
257.11856	1.7
293.13779	3.8
311.14984	12.8
325.11258	3.1
332.05328	2.7
347.07553	3.8
359.17038	2.1
509.18167	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	508.2024
Annotation	Unknow
Peak:m/z	Relative Intensity
52.90331	1.2
53.03929	1.6
55.01875	1.7
56.05036	1.9
60.04513	3.8
61.02939	2.2
62.06079	11.9
69.03419	7.5
70.06587	6.6
71.05011	1.7
71.52877	2.4
72.08140	4.7
73.02927	2.2
79.05484	3.1
81.03399	4.1
84.04514	1.5
84.08126	3.2
85.02894	27.3
86.09695	3.9
87.04432	3.4
91.05489	2.9
93.07020	1.6
95.08598	1.4
97.02882	9.4
102.05552	1.5
103.03973	1.6
105.03365	3.1
105.06999	1.6
107.04941	11.1
109.02878	1.6
110.05984	1.8
110.07128	1.4
119.04967	1.8
120.08084	3.8
121.10094	1.7
127.03914	5.1
129.10201	4.3
131.04953	2.2
135.04373	10.4
136.07556	1.7
137.05925	1.5
137.11035	1.4
145.04948	10.6
145.60030	1.3
147.04350	1.4
148.07561	1.6
152.04668	15.0
153.05458	7.0
163.06027	1.9
164.07014	2.3
166.08554	1.7
167.07019	100.0
168.07416	1.4
169.04977	1.6
177.05457	2.2
179.06985	2.2
184.09683	2.6
191.06995	5.0
195.06551	2.2
203.07062	2.1
207.13766	2.7
215.06894	1.6
225.14873	1.7
233.08009	1.7
307.26083	1.3
311.11102	6.8
355.45267	1.7
373.57227	1.9
474.38620	1.6
508.14346	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	508.2388
Annotation	Unknow
Peak:m/z	Relative Intensity
51.37795	0.6
53.03936	1.9
55.01862	2.9
57.03429	5.9
58.03784	0.6
60.04495	0.7
61.02917	9.3
63.24271	0.6
68.71741	0.6
69.03423	17.8
69.60815	1.6
69.61222	3.9
70.06585	1.6
71.01341	0.6
71.04971	2.2
72.08150	3.0
73.02898	3.5
75.77037	0.7
79.05486	2.3
81.03410	6.9
84.04487	1.3
84.08149	1.1
85.02898	100.0
86.09694	3.5
87.04453	2.3
91.03941	5.0
91.05479	1.3
93.07066	0.6
95.04958	0.7
97.02881	27.4
98.20811	0.8
99.04445	5.5
102.05562	0.7
107.04935	3.1
109.02865	8.7
110.03671	1.0
115.03939	1.4
119.08578	0.9
120.08123	1.0
125.05980	52.0
126.06306	0.7
127.03908	25.9
133.06082	1.1
135.05464	4.0
136.07573	5.2
144.06618	1.5
145.04945	49.1
149.06004	1.0
149.09605	1.5
163.06010	16.6
163.07388	1.2
167.10652	29.1
175.14107	0.7
177.05428	1.2
180.08659	1.6
199.37758	0.6
207.13902	0.8
232.12904	1.6
234.98938	0.7
240.72121	0.7
249.16069	1.5
277.15479	1.7
323.09332	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	508.2022
Annotation	Unknow
Peak:m/z	Relative Intensity
53.10932	0.5
57.03415	0.9
60.99338	0.5
61.02922	1.0
69.03413	1.9
70.06575	2.1
70.66473	0.5
70.83723	1.3
73.02914	0.6
81.03362	0.7
84.08123	1.4
85.02895	11.7
86.09676	1.2
97.02881	3.4
109.02844	1.3
110.03654	0.7
110.21388	0.5
115.07001	0.5
125.05995	3.0
127.03897	2.9
129.10155	0.8
145.04965	4.7
147.04416	1.3
151.07494	0.5
152.10785	0.6
163.06012	1.3
165.05457	1.2
167.07021	100.0
168.07359	1.6
173.08881	0.5
378.99051	0.6
382.37442	0.6
522.40808	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.3519
Annotation	Unknow
Peak:m/z	Relative Intensity
51.39854	4.7
53.03940	8.5
55.01859	28.9
55.05508	52.4
57.03439	6.6
57.07063	6.1
64.09058	4.3
67.05502	84.2
69.03406	12.7
69.07067	46.0
70.06591	5.1
70.87671	9.5
71.04977	7.3
79.05486	62.8
81.03412	18.9
81.07052	100.0
83.04977	18.6
83.08583	27.0
85.02890	8.8
91.05462	77.5
93.07042	71.2
95.04961	21.1
95.08586	68.1
97.02887	10.2
97.06504	36.2
97.10152	12.1
99.04465	5.5
100.11262	6.0
105.07015	75.8
107.04952	16.7
107.08582	61.5
109.06474	10.8
109.10136	37.1
111.08033	8.8
117.07000	37.3
119.08570	59.7
121.06515	8.2
121.10156	37.8
123.04447	8.9
123.08050	12.8
123.11677	14.9
125.09615	13.9
127.03918	19.8
128.06200	6.0
129.06990	22.0
131.08546	56.5
133.06502	9.2
133.10129	28.9
135.08038	11.4
135.11697	23.8
137.05969	7.3
137.09608	7.1
139.59679	4.6
141.06949	7.0
143.08565	31.2
145.06508	6.1
145.10114	37.5
147.07991	5.9
147.11673	27.3
149.09642	11.5
151.11198	6.4
155.08531	15.2
157.10101	23.2
159.11690	23.3
161.09663	12.5
161.13261	9.1
163.11189	5.2
165.09082	7.8
169.10109	13.7
171.11624	14.4
173.13260	10.7
177.12715	8.3
183.11681	13.5
185.13246	10.0
189.11253	5.7
195.11711	7.6
197.13306	10.1
201.12756	7.0
203.17955	6.7
209.13206	7.0
213.03949	21.8
221.18979	5.2
233.15392	8.3
247.20366	5.5
249.18645	5.6
273.18680	6.1
275.20160	32.9
275.22665	6.8
277.21426	6.1
293.21124	8.8
315.23209	5.9
339.23209	9.9
341.24582	9.4
357.24185	11.7
375.25253	9.1
423.32300	7.6
433.30951	11.7
451.32339	29.4
459.34601	10.3
469.33093	47.0
487.34186	39.8
505.20294	17.9
505.35217	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	506.1865
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	5.1
55.01865	3.0
56.05027	4.5
57.03417	3.1
59.06127	2.8
60.04519	100.0
61.02914	8.0
69.03423	20.4
69.07022	3.1
70.06593	15.1
71.04973	2.3
71.51982	3.3
71.52376	3.5
72.08148	8.9
73.02897	2.5
74.03220	2.5
74.06074	5.2
75.05615	3.0
79.05484	8.5
81.03413	8.4
84.04489	3.2
84.08126	5.5
85.02898	48.2
86.09705	9.3
87.05598	2.7
88.76048	2.3
89.06035	3.8
91.05454	13.7
93.07056	3.6
95.04958	18.1
97.02881	29.1
99.04431	4.2
101.37183	2.4
103.05463	2.8
104.05260	3.3
105.03374	29.2
109.02872	4.3
110.07102	2.7
118.06504	4.2
119.04946	2.6
119.08594	2.7
120.08096	23.4
121.02854	15.9
123.04423	18.0
125.02364	2.4
127.03888	18.1
129.10201	4.3
136.07582	9.4
139.03912	4.4
145.04958	21.0
145.08023	2.2
146.06039	24.0
147.04370	6.1
148.07562	2.5
163.06004	4.6
164.07069	44.2
177.05479	4.2
182.08099	47.4
203.08626	2.7
267.08716	8.2
276.93207	2.4
308.11188	5.2
319.72125	2.3
326.12491	3.7
327.20084	3.5
339.87125	2.4
344.13312	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	504.2798
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	2.1
55.05505	2.7
59.55710	2.0
66.47637	1.8
67.05492	6.8
69.03407	4.0
69.07065	2.9
70.12342	9.1
75.27754	2.0
79.05485	3.0
81.03413	3.9
81.07047	8.6
85.02892	12.8
87.00821	3.9
87.24892	1.7
91.05441	4.5
93.07050	11.2
95.04946	2.9
95.08603	28.8
97.02882	7.7
97.10149	4.6
105.01860	11.2
105.07023	15.4
107.08591	17.4
109.02892	2.9
109.10165	9.2
112.91182	2.1
119.08549	9.8
121.10138	44.0
121.11022	2.4
127.03928	15.2
133.10118	26.1
135.11723	2.7
145.04955	5.6
147.11682	17.5
159.02869	2.3
161.13252	9.4
180.84686	1.9
203.16035	4.8
203.17940	100.0
204.18304	3.0
221.19034	2.3
231.04955	6.7
248.28851	2.3
249.06070	3.8
284.09750	5.5
426.58066	2.4
441.47922	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	507.2695
Annotation	Unknow
Peak:m/z	Relative Intensity
50.63688	0.7
53.41224	0.8
55.05502	2.9
56.11853	0.8
57.03431	5.5
57.07074	15.5
58.87349	0.8
67.05515	4.1
67.75133	0.8
69.07064	3.1
71.08627	12.4
71.43971	0.9
71.44342	1.4
71.85705	0.9
72.10057	0.8
81.07053	5.1
83.08615	2.7
85.10174	7.0
88.51062	0.9
95.08595	6.4
97.10166	1.7
98.48555	0.9
109.10141	2.7
115.03642	1.6
123.11693	1.4
146.30177	0.9
152.35271	0.8
174.98627	1.3
176.99236	3.0
188.92419	1.0
195.00285	100.0
213.00089	1.8
231.01207	1.0
257.24652	1.1
313.27332	28.2
448.06213	1.0
507.26688	10.4
507.33084	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	504.2799
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	6.7
55.01865	6.1
67.05497	9.2
69.03407	17.5
69.07056	6.5
70.06559	7.8
71.04983	7.2
71.13499	7.5
71.13824	5.1
79.05489	11.5
81.03416	19.9
81.07047	37.1
85.02902	47.8
87.00822	16.2
91.05447	8.7
93.07027	20.2
95.08595	37.8
97.02892	27.0
99.04474	9.6
103.55466	4.9
105.01875	27.4
105.07028	30.3
107.08559	26.2
109.02879	20.7
109.10139	23.1
117.01865	5.1
119.08582	37.1
121.10129	13.6
127.03928	43.1
129.10168	5.6
133.10126	19.8
134.36191	5.0
135.11668	6.2
145.04930	17.8
147.11658	25.9
159.02922	9.7
161.13239	12.9
175.14867	13.6
203.17923	100.0
221.18974	81.2
231.04967	10.4
262.27252	5.8
441.62888	4.7
483.24188	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	504.2073
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03423	2.9
69.73254	1.6
71.44099	3.5
72.08150	2.6
79.05473	1.7
81.03382	2.1
84.04472	1.7
85.02919	8.6
91.05785	2.9
97.02898	2.6
102.57921	1.8
103.32690	1.6
105.03439	1.7
121.06480	2.5
127.03860	1.8
137.05969	100.0
145.04929	2.2
147.06775	5.8
162.09105	15.1
163.07530	9.3
167.06938	2.1
180.10146	6.4
234.98894	1.8
237.02744	1.9
274.06989	4.4
279.03821	1.8
297.36832	1.7
323.29492	1.8
356.13132	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	504.2644
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01855	1.5
55.05507	8.2
56.05031	2.0
57.03418	2.8
57.07065	8.9
60.04512	1.0
61.02934	5.6
61.95877	0.9
63.40335	1.0
69.03152	1.0
69.03432	11.6
69.07059	1.8
70.06254	1.3
70.06590	12.7
71.04973	1.7
71.52454	1.3
72.08145	9.1
73.02894	2.5
74.06052	1.5
81.03428	5.5
81.03818	1.0
81.79456	1.0
83.06069	1.6
83.08623	3.1
84.04481	5.7
84.08142	5.8
85.02899	58.7
86.09697	19.4
87.05576	1.6
89.05485	2.0
89.06019	29.0
91.03943	2.2
91.05431	1.5
93.07039	1.5
95.08591	1.2
97.02890	17.8
99.04446	3.0
101.07095	1.2
101.09646	9.3
102.05552	1.6
107.07064	25.1
109.02872	5.5
110.07146	2.2
116.07088	1.3
120.08107	5.8
127.03911	13.8
128.49028	1.0
129.10210	4.2
129.36177	1.2
130.04929	1.4
136.07506	1.3
137.05983	2.3
144.06474	1.1
145.04958	18.4
147.07635	2.1
163.05969	3.6
163.13280	100.0
165.05492	1.3
171.06494	1.2
177.05453	1.3
311.12622	1.4
325.06946	2.9
325.10846	1.2
342.06058	1.6
342.09708	5.1
380.06265	1.1
504.20084	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	504.2803
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	8.7
55.94883	4.9
67.05488	18.6
67.15539	3.9
69.03416	12.9
69.07054	4.8
70.06590	9.1
71.13726	7.0
71.14059	7.6
72.61224	5.2
79.05489	13.6
81.03432	6.5
81.07052	68.6
85.02910	39.3
86.09736	4.1
87.00812	14.3
91.05426	6.2
93.07031	35.5
95.08605	28.7
97.02874	20.3
97.10136	10.1
99.04492	6.0
105.01868	39.5
105.07046	29.8
107.08602	32.1
109.02877	14.2
109.10162	17.0
119.08551	16.1
121.10135	28.3
123.11678	10.2
125.09631	5.6
127.03902	37.3
133.10098	21.3
135.07997	4.4
139.11171	48.6
145.04968	24.6
145.10048	10.7
147.11728	27.5
147.12653	4.0
147.72206	5.1
149.13179	5.0
151.11180	15.3
159.02895	11.7
161.13255	10.6
163.14786	36.0
167.05438	6.0
175.14809	7.9
180.66922	4.7
203.14366	13.9
203.17958	79.6
221.15384	12.8
221.18973	100.0
231.04996	19.4
248.04953	4.3
249.06055	18.0
268.04782	6.3
284.09671	22.0
300.06302	6.0
470.63629	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	503.2763
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01851	2.8
55.05494	7.0
56.38324	1.5
57.03418	3.1
57.07062	2.8
67.05248	1.3
67.05497	15.5
69.07050	9.5
71.04308	4.8
71.08610	4.7
73.04811	1.4
75.04455	2.1
79.05491	7.9
81.07051	15.1
83.04924	2.0
83.08595	5.4
85.06541	2.9
89.98972	1.6
91.05444	6.1
93.07036	8.4
95.08596	14.5
97.06519	2.2
98.98459	69.0
99.08050	3.9
105.07019	6.8
107.08553	11.0
109.06497	15.8
109.10108	3.9
111.08031	2.4
116.99421	2.0
117.06951	1.5
119.08562	10.8
121.10118	6.2
123.08055	30.0
123.11642	3.4
133.10120	7.6
135.08008	16.9
135.11681	3.1
145.10095	5.1
147.11691	5.2
149.09584	3.2
149.13188	3.3
159.11676	5.0
161.13225	3.2
167.05528	3.3
167.14349	2.2
168.94064	1.6
173.02089	9.5
175.14767	4.8
177.12717	5.7
177.16396	1.9
179.14301	41.1
181.60754	1.4
184.04492	1.9
191.14346	2.2
205.15881	6.2
247.20551	2.0
263.19980	2.6
275.20078	3.2
289.21609	4.1
293.20987	2.6
299.06244	3.9
303.26837	7.1
331.26273	100.0
349.27359	15.4
387.28842	5.4
405.29962	60.3
405.34283	1.3
423.30890	2.7
485.26035	4.0
503.27579	22.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.2764
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	3.1
55.05511	7.8
57.03433	4.1
57.07071	3.1
57.32986	1.0
64.81935	1.1
67.05501	13.4
69.07069	10.8
69.21276	11.6
71.04984	2.1
71.08627	6.4
75.04478	1.5
79.05487	8.7
81.07052	18.1
83.04963	1.2
83.08594	5.4
85.06528	2.1
91.05441	5.4
93.07037	13.0
95.04960	2.1
95.08589	18.1
97.06521	4.0
97.10141	1.3
98.98460	76.1
99.08119	2.4
105.07009	10.6
107.08588	11.8
109.06509	17.6
109.10128	6.7
111.08076	3.2
116.99483	3.9
119.08570	10.9
121.10115	7.9
122.07245	2.2
123.08057	35.1
123.08956	1.7
123.11660	3.0
131.08522	5.7
133.10130	10.1
135.08041	22.1
135.11684	3.5
137.09612	1.9
140.01088	1.3
145.10155	7.1
147.11670	5.6
149.09601	4.6
149.13228	2.3
151.11134	1.6
155.00998	1.7
157.10065	2.1
159.11688	4.6
161.09586	2.4
161.13332	1.3
163.11177	2.6
165.12816	2.2
167.05585	1.3
167.14261	2.8
171.11751	1.3
173.02115	12.9
173.13286	2.4
175.11232	1.1
175.14792	6.9
177.12709	6.7
177.16399	1.2
179.14299	49.5
191.14317	2.6
193.12236	2.9
193.15858	2.4
202.94038	2.9
205.15866	8.8
210.03951	1.1
233.18994	2.2
247.20522	3.4
258.96780	1.2
263.20056	2.9
275.20148	3.8
283.03308	1.0
289.21619	5.8
293.20975	2.0
303.26755	9.3
313.25473	1.4
331.26288	100.0
332.26672	2.8
335.16513	1.3
349.23508	1.8
349.27313	15.7
357.27966	1.2
361.27396	2.0
369.27814	1.2
375.28976	1.3
387.29132	6.0
405.29962	52.9
408.13284	1.1
423.30936	4.2
485.26401	3.3
503.19684	2.2
503.27628	22.1
503.34332	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.1907
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.0
55.01867	1.2
55.05500	1.3
56.05033	1.0
57.03423	0.9
60.60222	0.7
61.02917	1.1
67.05495	1.5
69.03414	4.9
69.07059	1.8
70.06587	4.2
71.04977	0.8
71.06917	0.7
71.52248	1.1
72.08140	3.2
73.02914	0.8
74.06057	1.5
74.49241	0.7
79.05476	3.5
81.03411	1.0
81.07047	4.0
81.74336	0.7
83.04977	0.9
83.47044	0.6
84.04480	1.8
84.08135	2.8
85.02887	8.1
85.06523	1.4
86.09695	9.9
91.05431	3.9
93.07027	2.5
94.04192	3.9
95.04964	0.9
95.08619	1.7
97.02880	3.0
97.06508	1.0
99.04430	1.4
102.05530	2.2
103.05459	2.1
105.07033	5.8
107.04938	1.6
107.08581	1.6
109.02808	1.0
109.06502	3.6
109.10112	1.8
115.05447	4.3
117.06985	1.2
119.08559	3.0
120.08092	2.3
121.06500	1.1
121.10127	1.4
122.03631	7.0
123.04395	1.0
123.11676	1.2
127.03925	1.8
128.06230	1.6
129.06938	2.0
129.10208	1.7
131.04926	1.9
131.08589	1.5
132.05653	1.4
133.06488	3.7
133.10118	4.0
135.11653	0.9
137.05965	100.0
138.06316	1.0
144.06624	0.8
145.06473	2.3
145.10144	0.9
146.06145	1.0
147.04413	1.3
147.08018	2.4
147.11676	1.2
149.05933	2.4
155.04889	0.9
159.08008	1.9
159.11694	1.0
160.05186	0.8
161.05960	15.8
163.07559	1.6
167.05519	0.8
167.07008	1.2
173.13234	2.2
175.07536	25.9
177.05504	1.1
179.07118	1.0
180.99664	0.7
184.05110	1.5
187.07538	8.9
190.07759	1.8
191.08536	6.2
191.14314	1.7
197.12878	1.0
199.07509	8.5
201.05496	2.4
202.07736	2.2
203.08588	4.8
205.06494	1.3
215.14006	0.9
217.08594	1.7
218.07228	1.8
219.08018	11.0
220.08839	2.6
222.06639	1.0
231.08063	7.2
232.08800	2.1
236.08353	1.4
243.13258	1.5
247.07497	4.2
248.08301	3.2
249.09038	1.0
251.10612	10.9
259.07611	3.8
261.14334	1.3
263.10684	3.6
265.08633	1.3
276.07834	2.6
277.08667	2.4
279.10153	8.4
280.10608	1.0
291.10132	8.3
292.10876	3.2
295.13327	1.6
299.06094	2.0
305.24619	0.9
308.10419	1.6
311.12738	22.1
323.09277	0.6
323.12753	14.8
377.01563	1.1
400.03214	0.7
442.31064	0.9
503.20450	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.1908
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	2.0
55.01861	2.1
55.05490	1.1
55.30513	0.8
57.03428	1.4
60.25126	0.7
61.02897	2.3
62.69611	0.7
65.03925	1.0
66.04713	0.9
67.05489	1.0
69.03423	8.3
69.07040	1.1
69.47918	5.7
70.06581	3.5
71.04977	0.8
73.02900	1.0
79.05470	2.0
81.03419	3.7
81.07048	3.8
84.04488	1.1
84.08115	1.3
85.02894	17.6
85.99897	0.7
86.09699	2.3
87.04443	0.9
91.05460	5.0
93.07024	1.7
94.04203	3.4
95.04998	1.3
95.08596	2.5
97.02892	5.5
98.21527	0.8
99.04442	1.6
103.05437	2.9
105.07019	4.7
107.04944	1.3
107.08571	1.4
109.02837	2.0
109.06505	3.6
109.10150	0.9
115.05457	3.4
115.85468	0.8
117.07001	0.9
119.08572	2.6
120.08147	1.1
121.10111	0.7
122.03628	9.3
123.11718	0.9
125.48733	0.8
127.03886	4.5
128.06194	1.8
129.06976	2.2
129.10182	0.8
131.04906	4.9
132.05696	2.8
133.06444	2.1
133.10089	2.8
137.05960	100.0
138.06313	1.7
141.06984	2.0
145.04941	1.2
145.06488	1.4
146.03671	0.8
146.12851	0.8
147.04378	1.5
147.08064	3.7
147.11696	0.8
149.05962	1.3
155.04843	0.9
156.05667	0.9
159.08075	2.1
160.05176	2.0
161.05977	11.7
162.06673	1.0
163.07495	5.8
167.06996	1.4
169.06477	0.8
171.08070	2.2
175.07526	38.9
179.07068	1.6
184.05150	1.9
187.07530	6.9
189.08983	0.9
190.07805	1.3
191.08498	4.5
199.07532	13.0
201.09059	1.1
201.16379	0.9
202.07787	4.4
203.08537	7.3
218.07291	1.3
219.08064	7.7
220.08859	3.0
231.08003	9.1
232.08795	2.5
233.09554	1.0
235.07568	0.8
236.08278	1.1
237.18320	0.8
247.07541	3.5
248.08298	4.4
249.09235	1.3
251.10583	6.8
255.27550	0.8
259.07468	6.4
260.08304	2.2
261.09216	1.5
263.07040	0.7
263.07944	0.9
263.10635	5.8
265.08459	1.0
275.06952	0.9
276.07782	2.7
277.08618	2.7
279.10065	7.0
280.10965	1.1
291.10129	13.5
291.13107	1.2
292.10876	3.9
293.07956	1.3
295.13437	1.4
299.06314	0.8
301.41763	0.9
308.10403	1.6
311.12732	15.3
323.12744	21.9
325.14221	2.0
450.71472	0.8
503.18872	1.6
503.31750	1.5
511.63116	0.9
516.58331	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	502.264
Annotation	Unknow
Peak:m/z	Relative Intensity
52.97168	3.1
53.03931	3.0
55.01876	3.0
55.05493	7.2
57.07066	3.1
57.10499	2.6
58.39094	2.6
67.05509	17.0
69.03400	7.4
69.07041	6.5
70.06570	5.4
71.10294	4.9
71.10614	3.2
75.36304	2.8
79.05473	13.5
80.82820	2.8
81.03410	7.1
81.07035	24.3
83.04959	3.7
83.08646	2.6
85.02885	25.6
86.09689	5.1
87.00822	8.1
91.05448	19.6
92.54140	2.7
93.07034	21.9
95.08589	24.5
97.02869	10.8
99.04446	6.4
105.01849	12.7
105.07017	45.9
107.08575	29.6
108.76335	2.9
109.02839	10.6
109.10137	62.1
117.07008	24.4
119.08563	25.3
121.10147	14.9
123.11722	5.2
127.03912	21.1
131.08534	27.3
133.10114	21.5
135.11673	20.7
141.40182	2.7
143.08554	3.4
145.04929	10.6
145.10091	60.7
147.11668	40.5
148.98070	3.0
149.09564	2.6
149.13254	16.3
150.56915	2.8
157.10097	3.1
159.02898	6.9
159.11671	42.3
161.13214	5.8
163.11140	4.9
165.12733	3.7
173.13269	8.4
175.14859	4.2
176.97147	3.1
191.17911	14.3
201.16359	100.0
219.17421	60.9
231.04922	6.7
233.70677	2.8
271.53476	2.8
284.09689	6.4
299.06061	4.0
326.29236	2.8
327.72363	2.6
353.40295	3.3
460.78067	3.1
499.40820	2.8
503.68021	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	502.2642
Annotation	Unknow
Peak:m/z	Relative Intensity
50.29866	5.0
52.57192	4.8
55.01871	10.2
55.05499	15.1
58.13140	4.8
66.65729	5.0
67.05505	30.1
68.02267	5.2
69.03425	15.2
69.07053	12.4
69.33037	4.7
70.06581	16.3
71.04979	6.6
71.52960	9.1
72.50177	4.5
78.70728	5.1
79.05481	34.1
81.03416	14.3
81.07044	69.6
83.08611	12.7
84.04524	6.2
85.02905	35.5
86.09705	14.4
87.00820	15.3
91.05450	54.4
93.07031	56.8
93.34460	4.8
95.04928	5.6
95.08610	44.8
97.02890	15.7
100.11254	15.0
105.01872	16.3
105.07014	82.7
107.08593	49.1
109.02869	14.0
109.06512	5.1
109.10155	20.7
117.06992	30.9
119.08569	48.6
121.10155	29.1
127.03907	19.8
129.06998	6.7
129.10254	7.6
130.06548	5.9
130.07755	8.8
131.08560	44.1
133.10139	28.7
135.11732	7.9
143.08499	6.1
145.04932	11.8
145.10107	100.0
147.11682	17.1
149.13171	5.9
157.10118	7.3
159.11707	50.8
161.13237	40.5
163.11235	5.3
171.11670	5.6
173.13272	23.3
182.15372	11.5
201.16356	98.6
210.14886	9.7
219.17462	23.7
243.44044	5.1
265.62091	5.2
448.43561	5.7
451.57642	5.8
497.66568	5.9
502.23260	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	502.2644
Annotation	Unknow
Peak:m/z	Relative Intensity
52.06804	5.2
53.03943	14.6
55.01864	13.3
55.05513	12.8
57.03430	15.3
57.07066	6.4
65.03945	7.2
67.05506	26.0
67.59381	5.2
69.03425	41.3
69.07060	64.2
69.43172	50.6
70.06577	12.5
71.04985	10.8
79.05505	41.4
81.03410	43.1
81.07063	34.4
83.04976	22.5
83.08611	15.2
84.04493	5.7
84.08132	38.5
85.02901	100.0
85.06535	18.6
86.09679	9.9
87.00834	45.0
91.05467	45.7
93.07044	87.2
95.04965	18.5
95.08596	44.2
97.02887	47.5
97.06516	12.6
97.10191	6.4
99.04453	15.6
100.11269	8.4
103.05441	8.9
105.01853	70.8
105.07025	85.0
107.04964	8.3
107.08586	86.3
109.02848	32.6
109.06510	8.9
109.10157	23.8
111.08052	6.1
117.07029	22.3
119.08582	70.1
121.06538	8.9
121.10126	59.2
123.11705	9.1
127.03893	75.4
128.06305	6.5
129.06979	7.3
130.07788	14.8
131.08575	25.8
133.10083	29.7
135.08044	11.6
135.11688	60.1
137.09601	11.9
137.10750	5.6
143.08543	10.1
145.04958	38.1
145.10109	80.3
147.11639	35.5
149.09615	16.7
149.13280	8.8
150.10356	66.0
151.11246	10.0
157.10158	12.5
159.02989	12.5
159.11690	67.8
161.13245	30.3
163.11186	34.0
171.11688	6.9
173.13289	9.7
175.14857	23.7
177.16524	5.9
189.04057	6.9
191.17931	21.9
201.16383	82.2
219.17448	77.0
219.84254	5.5
231.05029	22.7
236.20126	12.2
241.06287	6.2
242.71692	6.3
249.06061	20.4
284.09818	8.8
299.06168	7.1
329.97546	5.9
413.57410	5.8
503.20810	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	502.2639
Annotation	Unknow
Peak:m/z	Relative Intensity
50.89763	4.7
55.05497	13.2
67.05489	28.1
68.39486	5.2
69.07052	5.5
69.35655	4.9
69.96273	23.7
79.05492	31.5
81.07050	100.0
83.05001	6.5
83.08605	7.2
91.05453	22.8
93.07021	21.8
95.04945	12.5
95.08573	18.9
105.07008	33.8
107.04969	7.4
107.08575	13.1
109.06519	29.0
109.10149	8.8
109.63265	5.2
111.32362	5.7
119.08559	17.3
121.10114	7.0
131.08571	15.0
133.10117	15.2
145.10078	7.4
147.11670	16.3
149.09592	8.0
159.11627	12.2
165.12772	27.9
173.13295	6.7
193.12085	6.9
257.18948	9.1
275.20001	92.3
293.21140	22.6
299.06207	8.0
449.21756	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	502.2641
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03917	3.7
55.01858	3.5
55.05507	21.6
62.88407	3.2
67.05495	17.9
69.07038	8.4
71.10378	4.4
71.10706	6.8
75.43590	3.0
79.05486	21.5
81.03418	7.3
81.07062	22.9
81.86470	3.5
83.04971	5.8
83.08601	21.3
86.09723	3.9
91.05453	19.6
93.07035	16.7
95.04958	35.9
95.08600	19.3
97.06534	4.8
97.10133	6.5
105.07011	27.2
107.04926	11.5
107.08582	13.8
109.06503	3.9
109.10133	6.8
111.08061	6.3
117.06991	9.7
119.08564	22.2
121.06459	4.6
121.10130	9.6
125.09597	8.3
129.01820	6.7
129.06970	4.1
131.08513	9.8
133.10118	15.5
134.18239	3.2
135.08022	4.4
135.11668	6.6
145.10078	18.5
147.11607	8.4
149.09599	27.7
157.01285	4.6
159.11679	9.1
163.11180	23.8
173.09570	6.2
173.13217	4.5
174.13524	3.7
189.11108	7.4
223.13264	37.1
239.17921	10.2
257.18945	12.2
262.44397	3.9
275.20047	100.0
293.21078	56.9
299.06274	3.9
302.30872	4.0
330.24493	4.0
470.95789	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	501.16
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	0.9
55.01861	0.8
57.03421	1.4
61.02644	0.4
61.02924	2.5
63.02414	0.5
69.03043	0.5
69.03423	8.9
70.06573	1.4
71.04984	1.4
71.44025	0.9
72.08159	0.7
73.02904	1.1
74.06045	0.4
81.03391	2.3
84.08133	0.7
85.02897	15.5
86.03242	0.4
86.09711	0.9
87.04440	0.7
89.03906	5.1
91.03934	0.7
91.05440	0.6
91.80032	0.4
93.44839	0.4
97.02888	5.3
98.97596	0.6
99.04447	1.3
105.03349	0.4
109.02889	2.0
110.07131	0.4
117.03370	13.5
125.25933	0.5
127.03918	4.8
127.55084	0.4
129.10187	0.7
131.04871	0.5
134.03635	0.9
135.04395	1.0
137.05952	1.3
145.02832	41.7
145.04916	2.5
149.05951	5.2
177.05455	100.0
178.05800	1.6
186.05434	0.9
195.06532	1.8
219.01706	0.6
234.98990	1.1
237.02852	0.9
277.00082	1.4
321.09564	2.3
338.19843	0.5
339.10733	16.4
427.61856	0.7
479.04199	0.5
500.64847	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.2304
Annotation	Unknow
Peak:m/z	Relative Intensity
55.93418	0.5
59.72752	0.5
67.05494	0.6
69.07041	1.0
69.19402	6.2
70.06601	0.8
79.05482	0.9
81.07059	2.2
84.08131	0.7
85.02901	0.7
86.09709	1.2
91.05468	1.4
93.18343	0.6
95.08614	1.3
109.02889	0.8
121.10120	1.1
127.03844	0.8
145.10201	0.7
177.05460	0.8
274.11554	1.8
305.08450	2.7
329.63022	5.5
330.13422	2.2
330.63165	0.8
363.08957	68.3
364.09457	1.0
365.05902	1.4
365.10522	32.4
501.23041	100.0
502.23560	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.3418
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	5.1
55.01848	4.2
55.05260	2.9
55.05508	28.6
57.03434	23.6
57.07076	14.1
61.02922	61.7
67.05500	38.4
69.03428	30.5
69.07067	38.3
71.01346	5.5
71.04983	5.3
71.08610	6.7
73.02911	25.9
79.05479	17.1
81.03409	16.2
81.07050	37.5
83.04956	3.1
83.08612	35.5
85.02898	56.4
85.06543	3.3
85.10175	2.1
87.04465	3.5
90.90485	1.6
91.03944	38.0
91.04463	3.3
91.05486	3.9
91.54008	1.7
93.07045	17.4
95.04994	1.8
95.08600	38.2
97.02888	46.6
97.06520	3.4
97.10161	21.4
99.04436	9.1
99.72707	1.5
101.02359	11.1
102.09187	2.2
103.03925	8.4
107.08585	12.3
109.02873	12.9
109.10159	16.9
111.08089	3.8
111.11713	7.5
115.03927	3.8
117.05486	2.3
121.10143	22.1
123.11702	6.1
125.09616	2.3
127.03898	25.2
129.05476	7.0
135.11681	16.4
137.13210	4.2
141.12646	2.0
145.04953	7.5
147.11699	2.2
149.13210	9.5
151.14764	2.3
153.12726	1.9
159.06505	3.3
163.14795	4.0
165.16364	2.6
177.16402	1.9
183.06543	5.2
201.07599	3.9
213.27560	1.9
228.23238	6.7
247.24207	14.6
256.26355	7.4
265.25262	33.2
305.24399	2.7
313.51233	1.8
313.92926	2.1
323.25995	2.4
331.26318	2.0
339.28897	100.0
367.28439	3.0
392.71432	1.9
394.81320	1.9
465.31915	4.0
483.33026	5.5
501.34174	15.0
504.94601	1.8
509.16257	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.1598
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.9
55.01862	0.6
56.05025	0.3
57.03433	1.5
61.02912	1.9
67.21164	0.3
69.03423	8.1
69.79223	1.5
70.06583	1.4
71.04985	0.5
72.08159	0.2
73.02916	1.2
81.03416	3.0
84.08125	0.8
85.02897	13.5
85.54779	0.2
86.09683	0.6
87.04459	0.7
89.03905	3.5
91.03944	0.5
91.05461	0.4
95.05001	0.3
97.02887	5.0
98.21507	0.3
99.04465	0.7
103.05437	0.3
105.03406	0.6
109.02879	2.4
110.07166	0.4
115.03959	0.3
117.03371	13.7
119.04940	0.3
127.03905	4.6
129.10266	0.5
131.04912	0.3
132.95740	0.3
134.03603	0.9
135.04408	0.8
137.06007	0.5
143.00189	0.3
145.02834	40.4
145.04929	2.3
147.04393	0.8
149.05968	4.4
150.96799	0.3
160.07591	0.3
163.03871	0.7
177.05453	100.0
178.05794	0.9
186.05513	0.9
195.06540	2.9
198.96965	0.3
207.06496	0.4
234.98979	1.4
261.07593	0.5
267.34473	0.3
277.00082	2.0
279.03900	0.3
295.01111	0.5
321.09717	2.4
339.10736	15.5
492.17273	0.3
528.51855	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.1921
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05494	1.2
65.03921	2.8
67.05508	1.2
69.03417	2.5
69.62536	2.7
69.62966	3.5
70.06577	9.6
72.08149	2.6
79.05480	1.8
79.89175	0.8
80.47159	0.9
81.07047	2.6
82.94358	0.8
84.04479	0.8
84.08131	3.2
85.02885	4.0
86.09709	2.5
92.05000	5.3
95.04942	1.2
95.08582	1.0
96.08133	4.5
97.02893	1.6
97.11883	1.0
102.70348	0.9
108.08138	0.9
110.06059	1.1
115.70685	0.9
115.94386	1.0
119.08630	1.2
120.08117	2.2
122.06026	1.1
124.07623	4.3
124.53987	0.8
126.09138	8.9
127.03876	0.9
138.05530	1.1
138.09123	2.6
142.38460	0.9
145.02898	0.9
148.04025	1.1
152.07054	27.8
152.08299	1.5
162.07651	1.0
164.03445	1.4
166.04990	52.4
167.08745	1.0
176.03435	7.8
177.05511	2.5
182.04474	8.3
194.04506	4.2
198.07808	1.8
199.08617	1.9
200.10695	2.1
207.06815	0.9
211.08591	1.8
212.09428	2.4
215.08147	1.3
225.10208	2.2
227.11746	4.2
228.10161	1.4
229.13419	1.5
233.09163	2.6
240.08890	3.5
241.09834	1.5
242.10478	1.2
253.09648	3.2
255.11307	4.9
257.09113	2.1
257.13007	1.4
259.07132	2.5
261.12299	1.9
270.10031	1.7
271.10757	9.6
272.09030	2.0
273.12262	2.6
283.10751	35.7
289.11798	7.7
301.11823	31.3
302.11957	1.2
319.12866	100.0
320.13120	1.9
481.17877	2.5
494.90494	1.0
499.26074	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.3263
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25373	3.4
52.91643	3.9
53.03926	10.3
55.01858	6.9
55.05511	32.2
57.03435	37.2
57.07066	4.6
58.25852	3.9
59.44868	3.6
61.02648	5.1
61.02924	62.5
64.46385	3.4
67.05501	81.1
69.03431	42.2
69.07063	26.7
71.01334	10.7
71.04957	4.2
71.08305	5.4
71.08666	10.3
72.29903	3.0
73.02909	28.1
77.94451	3.3
79.05490	32.4
81.03416	37.7
81.06594	6.5
81.07053	100.0
83.04981	3.3
83.08613	19.0
85.02906	71.2
85.06537	4.2
87.04476	4.2
91.03944	29.4
91.05465	21.7
93.07035	30.6
95.04964	8.8
95.08604	65.1
97.02896	60.8
97.06514	6.9
97.10181	6.5
99.04453	16.8
99.08109	4.4
101.02371	15.2
103.03935	14.6
105.07016	17.5
107.08570	17.3
109.02869	15.2
109.10147	25.2
111.08079	4.7
111.11671	3.5
115.03925	7.9
117.06985	5.1
119.08575	11.3
121.10117	15.2
123.11669	16.2
127.03918	26.0
129.05470	6.9
131.08572	4.7
133.10135	13.4
135.11655	8.6
145.04927	10.4
145.10121	5.1
147.11638	5.5
149.13284	4.3
159.02245	3.8
161.13258	6.3
163.14836	4.3
167.14215	3.3
175.14748	8.7
183.06549	8.8
221.17369	3.6
245.22638	6.5
263.23636	20.6
303.23135	5.0
337.27362	62.4
346.53424	4.1
365.26831	4.0
404.02087	4.3
407.27817	5.3
499.32275	9.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.1212
Annotation	Unknow
Peak:m/z	Relative Intensity
51.72289	5.6
58.65503	6.1
69.70313	39.1
70.06606	8.5
71.94308	5.9
89.70632	4.9
97.02879	6.6
98.97593	19.2
116.98620	11.8
136.07593	6.3
137.05966	12.2
143.00172	8.3
158.99680	12.6
161.01204	11.2
177.00671	18.6
185.01222	8.8
188.26961	5.8
203.02255	9.7
219.01762	13.3
234.12341	50.9
237.02751	18.0
245.03235	7.2
283.10684	9.6
357.80801	7.1
363.05859	11.5
381.06924	7.6
396.17432	6.7
409.48270	5.8
419.29077	9.8
499.12094	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.142
Annotation	Sodium methotrexate
Peak:m/z	Relative Intensity
53.09960	0.3
61.46315	0.3
68.08932	0.3
68.60052	0.3
69.03418	0.7
69.39959	2.9
70.06574	0.6
81.03424	0.5
84.04478	0.4
85.02890	1.3
88.78285	0.3
97.02885	0.6
98.20731	0.5
161.02908	0.5
169.03447	0.7
175.03632	1.3
185.04207	0.7
187.04550	0.8
203.05196	1.6
221.04990	0.5
258.05710	0.6
259.07831	1.5
311.10065	0.3
329.07251	0.7
337.09024	0.6
347.09488	12.1
347.13776	0.6
382.68198	0.4
499.14182	100.0
500.14594	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	499.1137
Annotation	Unknow
Peak:m/z	Relative Intensity
68.91791	1.1
70.58052	2.7
82.99850	2.2
101.00867	9.3
103.02426	2.1
106.95358	1.0
113.00870	2.1
119.01920	18.0
121.03449	1.5
127.02388	7.8
131.01869	9.7
137.02940	1.4
139.02405	1.4
143.01871	18.5
145.03442	36.5
146.03610	1.2
147.01364	2.0
149.02924	2.5
155.01868	18.4
157.03453	14.0
161.02937	20.1
163.04561	6.0
167.01843	7.6
169.03430	4.6
171.01360	7.6
171.04953	2.6
173.02936	42.9
175.04549	2.7
177.02486	1.2
179.01933	3.2
179.03938	1.1
183.01340	1.4
185.02922	37.3
187.04550	4.0
189.02391	8.0
191.03946	1.9
197.02951	15.0
199.00882	3.6
199.04485	3.0
201.02469	2.5
203.03995	12.5
205.05643	1.1
209.02936	3.3
215.03995	12.3
217.01904	56.5
221.02988	2.4
221.05092	4.3
227.03896	9.4
229.01883	10.0
229.05560	1.4
235.02936	19.1
239.04018	1.5
245.05045	100.0
246.05296	2.0
247.02983	13.9
247.06664	2.2
253.04141	1.9
257.05023	11.4
258.04605	1.4
259.02966	1.3
263.06091	11.2
265.04025	1.9
271.02792	1.3
275.06000	12.4
277.03995	21.4
286.07642	1.4
293.07208	5.4
301.04007	12.5
305.07144	9.5
319.05096	24.8
335.08279	3.2
337.06143	28.7
365.09283	8.5
481.09802	1.2
499.11441	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	499.1141
Annotation	Unknow
Peak:m/z	Relative Intensity
63.35392	1.5
68.01215	1.7
71.38255	4.1
82.99824	2.0
100.97202	1.6
101.00851	13.1
103.02434	2.5
113.00846	4.5
119.01910	33.4
127.02407	11.3
131.01894	17.1
137.02975	2.1
139.02388	4.0
143.01891	22.2
145.03448	54.7
147.01331	3.1
149.02936	4.0
155.01874	27.7
157.03448	21.3
161.02940	24.0
163.04471	7.4
167.01863	11.1
169.03467	3.7
171.01329	4.0
171.05003	3.5
173.01462	2.7
173.02937	55.1
175.04524	4.5
179.01790	3.3
185.02945	46.5
187.04507	6.9
189.02521	8.1
191.04015	2.1
197.02966	17.7
199.00812	4.0
199.04483	3.7
201.02469	3.2
203.03984	13.3
205.05530	2.0
209.02953	4.3
215.03912	11.8
217.01901	53.4
221.05034	5.8
227.04097	11.6
229.01891	13.9
235.03004	22.3
245.05060	100.0
246.05215	2.6
247.03027	13.2
247.06612	3.3
257.05054	10.7
258.04675	1.9
263.06168	13.8
265.03992	3.4
275.06030	14.6
277.04019	19.8
293.07291	5.1
301.03964	11.7
305.07068	11.0
307.08749	4.0
319.05060	31.6
335.08121	6.0
337.06110	34.0
365.09241	9.2
379.07245	2.6
426.81754	2.3
499.11365	33.3
504.94272	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	498.2596
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	0.3
58.06581	0.7
67.52599	0.3
69.98963	1.5
70.06579	1.8
72.08152	11.2
75.09221	0.8
84.08134	2.1
85.02836	0.4
86.09676	0.9
89.03912	8.9
91.05470	0.8
93.07031	0.4
96.86085	0.3
98.45409	0.4
100.93253	0.3
110.07131	0.5
112.11234	5.3
117.03371	27.6
120.08115	1.1
121.06449	0.4
129.13879	3.4
134.03632	1.2
135.04414	2.1
145.02835	77.0
146.03113	0.4
146.16521	3.4
147.04417	0.4
149.05971	8.1
149.74011	0.3
155.11800	2.1
161.05887	0.4
162.03127	0.6
163.03893	0.7
172.14462	0.7
176.06975	0.5
177.05458	100.0
178.05824	0.8
186.05432	1.7
219.08940	0.5
233.12918	0.8
234.11232	37.3
243.58107	0.4
248.12810	3.3
251.13921	1.1
282.11319	0.4
301.68436	0.4
304.20181	1.0
305.18500	4.2
322.21231	19.5
323.21625	0.6
348.19052	0.5
481.23352	0.8
498.25961	81.0
499.26517	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	498.2597
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06592	0.3
62.03554	0.3
69.89400	1.1
69.89815	1.0
70.06567	0.8
71.62132	0.3
72.08153	7.4
75.09212	0.4
78.04689	0.4
84.08131	0.9
89.03910	6.9
91.05481	0.4
106.04128	0.5
108.69685	0.4
112.11237	2.4
117.03366	24.2
125.14622	0.4
128.04538	0.4
129.13852	1.6
134.03604	1.6
135.04382	1.1
145.02834	72.5
146.03201	0.7
146.16528	1.0
149.05952	6.8
155.11739	1.1
162.03137	0.5
171.37415	0.3
172.14438	0.5
176.07024	0.7
177.05455	100.0
178.05797	0.8
186.05516	0.7
219.08919	1.1
233.12837	1.0
234.11232	44.6
235.11496	0.6
248.12794	4.8
251.13739	0.8
304.20239	1.3
305.18640	2.8
322.21246	13.2
348.19263	0.8
480.24957	1.1
481.23120	1.1
498.25949	74.0
499.26303	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.1762
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50768	1.2
54.09599	1.4
57.03424	2.5
61.02925	1.9
69.69127	8.6
70.06573	4.9
72.08135	3.0
84.04501	2.1
84.08125	3.2
85.02898	13.7
85.40039	1.4
86.09698	3.4
89.12025	1.4
93.06993	1.4
94.06544	2.5
95.01324	9.1
97.02820	1.4
98.21533	1.5
105.03354	2.1
110.06014	1.6
110.07142	4.1
120.08128	2.3
122.06026	8.8
136.07555	3.1
150.05490	3.9
162.05576	2.3
166.08781	1.4
199.08766	1.6
210.07750	2.2
211.08653	2.1
211.12331	1.7
212.09421	1.8
213.10248	1.8
215.08107	1.9
225.10089	2.9
227.07997	2.1
229.09709	1.7
237.10173	3.9
239.11821	5.1
240.08905	1.6
241.09738	3.8
243.07619	2.5
243.11250	3.4
251.08209	2.0
251.11809	2.0
253.09810	3.7
255.11240	2.9
257.09244	2.8
257.12827	1.9
265.09653	7.5
267.11154	4.0
269.09091	2.5
271.10767	4.7
279.07574	3.1
279.11273	4.0
281.09216	4.3
281.12796	1.5
283.10635	3.5
285.12405	4.3
293.09131	3.6
293.12729	2.6
295.10709	3.6
297.12302	2.9
299.10101	3.5
307.10446	2.0
309.12228	4.0
311.10284	10.6
311.13449	2.5
312.10764	2.5
313.11700	13.1
315.09708	2.7
317.11096	3.1
321.12231	3.1
323.13461	2.1
325.11841	4.2
327.13266	3.6
329.11237	5.0
331.12851	20.9
337.11710	4.0
339.09790	14.2
339.13419	2.9
343.12875	6.9
351.13358	6.8
353.11230	2.1
355.12924	8.2
357.10742	28.4
357.14618	2.6
361.11600	2.7
367.12762	3.9
369.14340	2.2
371.12253	4.7
373.14026	3.2
375.11810	2.5
379.12820	5.1
383.12482	2.4
385.13846	13.9
389.12918	1.6
395.12256	4.5
397.13934	7.4
401.13745	1.9
407.12350	4.2
413.13431	26.9
415.14938	3.2
425.13403	21.7
431.14468	100.0
443.14447	42.3
461.15494	72.5
461.22046	2.6
462.15518	1.7
479.16574	77.0
480.16751	1.7
497.17548	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	496.2749
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	1.3
55.01864	0.7
55.05501	0.9
57.03432	1.8
57.07070	2.3
61.02926	3.5
65.03916	0.4
66.04716	0.5
67.05503	3.3
69.03426	5.6
69.07068	2.9
71.04987	0.8
72.09194	0.2
73.02897	1.3
79.05489	7.4
81.03434	1.7
81.07050	100.0
82.07397	0.3
85.02898	40.7
87.04452	0.8
91.03941	2.3
93.07030	0.8
95.04974	0.3
95.08601	17.5
97.02884	9.2
97.03515	0.3
99.04446	1.3
103.03961	0.4
105.07036	0.4
109.02872	3.7
109.10138	1.1
115.03960	0.5
127.03905	10.9
137.13240	25.0
138.13522	0.3
140.44519	0.2
144.06540	0.5
145.04950	24.3
154.15865	0.4
163.06000	12.0
165.09088	0.4
180.08507	0.3
217.73779	0.3
229.52127	0.3
271.07990	0.3
289.08932	0.4
325.11243	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	496.3393
Annotation	PC(16:0/0:0)[U] / PC(16:0/0:0)[rac]
Peak:m/z	Relative Intensity
54.38393	0.3
55.05498	0.7
56.05025	1.4
57.03419	0.7
57.07071	3.1
58.06604	1.0
60.08158	17.0
67.05488	1.1
68.49666	0.2
69.07038	0.3
69.91505	0.4
69.91809	1.5
70.06576	0.4
71.06984	0.5
71.07368	7.5
71.08624	1.8
74.39418	0.2
79.05445	0.2
81.07033	0.7
83.08614	0.7
85.10162	1.0
86.09698	50.8
88.04936	0.3
95.08608	1.2
96.80600	0.3
98.97874	0.4
98.98466	3.4
104.10732	100.0
105.11056	0.7
109.10153	0.3
124.99992	27.6
143.01067	0.4
163.01544	0.9
181.02655	0.3
184.07324	95.6
185.07672	0.3
188.12621	0.3
258.11047	1.4
258.31500	0.3
273.33322	0.3
313.27350	1.8
322.76501	0.3
419.25449	0.5
478.32904	7.2
496.33945	24.2
497.34161	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	496.2748
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.8
54.49460	0.5
55.01849	0.9
55.05498	1.2
57.03425	1.9
57.07071	2.9
58.92445	0.5
60.96850	0.5
61.02925	3.5
62.34901	0.6
67.05499	4.7
69.03420	6.4
69.07050	3.6
70.06587	0.9
71.04988	1.1
73.02908	1.4
79.05483	7.6
81.03405	3.0
81.07047	100.0
82.07369	1.0
84.04472	0.5
85.02895	49.5
86.09706	0.8
87.04459	0.8
91.03957	3.1
91.05468	1.2
93.07042	1.7
95.04934	0.7
95.08596	22.6
97.02879	10.7
99.04449	1.9
103.03937	0.6
103.24374	0.5
105.07023	0.7
107.08574	0.6
107.73615	0.4
109.02870	3.4
109.06516	0.6
109.10152	2.1
111.11726	0.9
115.03928	0.6
118.57895	0.5
119.08607	0.5
121.06496	0.5
127.03902	13.5
136.92671	0.5
137.05959	0.5
137.13240	26.8
145.04945	28.8
155.14272	1.2
163.06003	11.9
192.61154	0.5
301.10782	2.0
324.55582	0.5
325.11249	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	496.244
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	0.7
58.06599	8.1
67.05490	0.4
69.03417	1.0
69.07063	0.5
69.87762	2.0
70.06585	4.0
71.04981	0.4
72.08154	17.4
84.04503	0.4
84.08140	27.0
85.02907	1.7
85.07681	0.6
85.39468	0.4
86.09695	1.0
95.04976	0.3
95.08598	0.8
97.02888	0.6
98.06061	0.5
98.09716	0.5
98.20798	0.4
99.09235	0.4
105.07022	0.5
110.09648	0.8
111.52112	0.4
112.11238	37.5
113.09648	0.5
120.08080	0.6
127.03914	0.5
129.13869	9.5
136.07579	0.6
137.05959	0.5
137.07030	0.4
145.04959	0.6
153.12759	0.5
200.07091	0.4
201.05382	7.0
202.05544	0.4
205.06569	0.6
220.05127	0.5
222.06796	0.6
229.05063	0.4
233.06157	0.4
234.06627	0.4
235.07597	2.9
237.09015	1.8
248.04672	0.9
249.05594	0.5
250.06342	0.7
256.05981	2.1
257.12814	4.6
263.07004	6.2
264.07739	1.0
265.04901	0.6
265.08627	4.3
268.08447	0.8
269.09293	0.6
277.08536	0.6
280.07294	1.6
282.08871	1.1
283.10773	2.9
284.09036	0.4
291.06509	5.7
295.09760	0.7
296.10464	0.7
297.11273	0.8
308.06860	1.6
309.11182	0.6
313.10675	0.9
321.12503	0.6
323.09119	17.4
333.05951	0.9
334.06451	2.2
335.13934	0.7
336.14496	0.4
349.11682	0.5
352.11526	0.4
363.13370	1.8
364.14206	4.2
365.14847	1.2
379.16580	3.1
380.14822	3.6
381.18219	0.7
391.13129	0.4
392.13965	1.7
407.16080	8.3
408.14346	2.4
422.16153	2.0
425.17065	16.5
426.17578	0.5
478.23343	0.6
479.21725	6.3
496.24390	100.0
497.24911	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	496.2022
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	0.7
55.01864	1.2
57.03427	2.6
61.02923	4.2
62.69314	0.8
69.03416	8.8
69.96612	4.7
71.04958	0.9
73.02914	1.6
81.03410	4.5
84.25040	0.7
85.02898	49.7
91.03948	2.3
91.05477	12.1
95.44434	0.7
97.02884	12.6
99.04454	1.8
109.02870	4.1
111.34934	0.7
119.04939	7.9
127.03915	11.2
133.06451	1.0
136.07492	0.8
137.05965	100.0
138.06282	1.1
145.04941	20.1
147.04387	1.1
151.07491	1.8
153.05449	2.0
154.30836	0.9
155.07019	15.6
157.06480	1.2
161.05905	1.1
163.05983	7.3
165.05630	1.0
167.07066	0.9
172.04272	2.9
179.07047	4.1
195.06487	3.3
203.07042	3.5
217.08670	1.0
221.08067	2.8
245.07994	1.8
263.09088	6.7
281.10129	2.8
299.11142	1.7
317.12180	1.7
322.49377	1.0
325.10910	1.2
374.93033	0.9
476.17316	0.9
496.14639	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	496.2438
Annotation	Spirotryprostatin C
Peak:m/z	Relative Intensity
53.03941	0.5
55.05496	1.1
56.05031	0.8
58.06592	5.4
63.65195	0.3
63.84608	0.3
64.60527	0.3
67.05497	0.5
69.03425	0.4
69.07066	0.4
69.29910	3.2
70.06586	5.1
72.08147	26.5
74.06071	0.3
80.37453	0.3
81.07037	0.5
83.06088	0.7
84.04503	1.4
84.08133	25.3
85.02908	1.2
85.07650	1.1
86.09711	1.7
87.10007	0.3
89.43120	0.3
91.05442	0.5
93.07027	0.5
97.02892	0.7
98.08428	0.5
99.04437	0.4
102.05536	0.4
103.22952	0.3
103.26521	0.3
105.03391	0.4
105.07038	0.4
107.04935	0.3
109.10119	0.9
110.07145	1.4
110.09673	0.6
112.11231	35.4
113.11592	0.6
120.08071	1.0
121.06480	0.4
121.10214	0.3
125.32230	0.3
127.03940	0.6
129.10196	0.4
129.13866	8.3
136.07549	0.8
137.05984	0.6
137.06993	0.3
145.04947	0.4
155.10628	0.7
167.10577	0.7
191.07101	0.4
199.10822	0.3
200.06989	2.0
201.05392	4.4
205.06494	0.8
207.08066	0.5
219.07997	0.7
220.05161	0.7
220.22220	0.3
233.05995	0.6
234.06677	0.6
235.07510	2.8
237.09097	3.3
247.07729	0.4
248.04533	0.7
249.05475	0.5
250.06271	1.0
252.07579	0.3
254.09245	0.3
256.05975	2.0
257.12900	1.2
263.07022	5.8
264.07654	0.8
265.05164	0.9
265.08548	5.6
268.08395	0.4
269.09433	0.3
276.04120	0.4
277.08511	0.5
280.07281	2.7
281.07986	0.5
282.09018	1.1
283.10724	3.3
284.09473	0.4
287.10284	0.4
291.06506	5.3
292.07465	0.6
295.09726	0.5
297.11090	2.3
308.06729	2.3
313.10657	1.3
315.13425	0.7
316.13980	0.4
317.11526	0.4
323.09106	20.2
324.09506	0.5
331.16919	0.6
335.13345	0.4
363.13403	0.9
364.14059	1.1
366.15762	0.6
375.13089	0.4
379.16534	0.7
380.14847	5.3
381.18201	1.0
382.92258	0.3
391.12619	0.4
392.13489	0.7
407.15994	6.5
408.14352	3.5
409.15112	0.3
410.14633	1.0
422.15985	0.7
425.17010	21.5
426.17242	0.8
465.05997	0.4
478.22946	0.4
479.21698	3.9
496.24365	100.0
497.24622	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	496.2023
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	1.2
55.01861	1.2
57.03423	2.6
61.02915	4.3
69.03423	8.1
70.22511	1.8
70.22900	1.5
71.04975	0.9
72.72404	0.8
73.02896	2.0
81.03423	3.7
85.02897	45.0
91.03942	3.4
91.05466	12.2
95.51265	0.8
97.02882	12.4
99.04460	2.7
109.02889	4.3
119.04928	7.3
125.06004	0.8
127.03915	12.0
137.05966	100.0
138.06323	0.8
145.04950	18.0
147.04417	0.8
147.92387	0.7
149.06009	1.0
151.07542	3.0
153.05450	2.6
155.07010	11.5
161.06003	1.5
163.05975	6.6
165.05455	0.9
167.06985	1.3
172.04269	6.8
178.59148	0.7
179.07010	4.0
195.06535	3.0
203.06989	2.1
221.08080	2.0
233.08037	1.5
245.08083	2.6
251.09126	1.1
263.09128	7.9
281.10220	2.2
299.11237	1.6
317.12445	1.0
334.09406	1.6
483.99231	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.1832
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	0.8
55.05503	1.1
65.03896	0.5
67.05495	2.4
69.03439	2.4
69.07043	1.7
70.06573	2.3
70.70859	1.0
70.71220	0.7
71.04986	1.1
72.08132	0.6
73.02898	0.6
79.05486	2.0
81.03401	1.6
81.07050	3.8
83.04971	0.7
84.04461	0.6
84.08115	1.1
85.02895	7.5
85.06499	1.1
86.03233	1.0
86.09686	2.6
91.05482	3.5
92.05788	0.8
93.07038	9.5
94.07371	2.9
95.04977	1.4
95.08610	3.2
97.02891	1.8
97.06530	0.8
98.03180	0.5
99.04429	1.1
99.08037	0.5
103.05443	0.6
105.07005	2.2
107.04916	0.8
107.08585	5.9
108.08913	1.3
109.02836	0.9
109.06488	1.7
109.10150	1.9
110.07087	0.6
111.08102	0.7
117.07010	1.0
119.08566	1.7
120.08090	0.8
121.06484	1.0
121.10180	1.2
123.11673	1.0
125.09669	0.5
127.03912	2.1
129.10214	0.6
131.08553	1.0
133.10118	1.3
135.08069	0.8
135.11700	3.6
136.12039	2.3
143.08559	0.6
145.05013	2.8
145.10083	0.6
146.05281	1.0
149.05981	0.7
149.09607	1.0
149.13255	0.9
151.07529	0.8
151.11163	0.5
157.10074	0.8
159.11606	0.5
163.05968	1.1
165.09090	3.1
167.07005	1.0
167.14285	1.0
169.10214	0.6
171.08067	1.4
187.10912	0.5
187.14755	0.9
203.10481	0.6
211.16930	2.3
212.17343	2.8
213.03873	0.7
223.43161	0.5
229.12013	1.3
247.13046	9.8
265.13257	0.7
275.12531	6.1
289.12866	1.2
307.13831	0.6
330.81485	0.6
391.17105	3.7
409.18268	17.9
451.19351	50.9
452.19516	1.7
465.28763	0.5
495.18329	100.0
496.18478	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	494.2594
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	10.8
56.05029	3.2
57.03448	4.3
57.07059	3.3
59.37023	2.5
60.04531	2.8
67.05502	8.6
67.65993	2.8
69.03427	10.1
69.07070	7.6
69.40949	24.8
70.06588	21.1
71.04980	9.6
72.08152	7.8
74.06084	3.3
79.05498	6.5
81.03424	6.0
81.07050	21.1
83.04987	3.2
83.08627	10.4
84.04498	5.2
84.08144	7.8
85.02911	20.7
85.06535	4.2
86.09700	21.8
87.00813	7.8
91.05489	3.6
93.07050	11.2
95.08617	14.8
97.02881	7.5
97.54146	2.7
98.21464	6.4
103.05441	3.4
105.01888	6.3
105.07049	5.5
107.08588	10.2
109.02883	7.1
109.06511	2.8
109.10172	12.4
110.06040	5.9
110.07191	4.8
111.08124	3.0
119.08577	15.8
120.08089	25.6
121.10131	28.9
121.27245	2.5
122.10451	4.0
123.11697	67.3
123.81495	3.1
127.03907	11.8
129.10286	3.4
133.10124	12.3
135.11684	9.7
136.07629	5.0
137.05951	4.0
137.09622	2.9
137.13271	9.6
138.05486	100.0
145.02782	4.5
145.05008	4.2
147.07629	6.2
149.05952	3.5
156.06525	40.0
173.12912	4.9
175.14780	22.1
177.05527	8.0
193.15904	26.4
198.15736	3.7
201.05548	3.4
211.16891	50.1
213.43762	3.0
216.16765	3.1
218.62276	2.7
219.06468	2.7
221.81821	2.6
229.17966	54.2
231.04980	3.6
247.13268	3.0
249.06093	2.9
275.12512	3.8
294.14658	5.4
296.25854	3.7
314.26703	4.6
316.05576	8.4
317.06329	7.8
331.08118	8.4
332.08447	17.5
332.12015	2.9
332.27820	6.8
409.18216	5.0
451.19312	16.3
466.71881	3.8
494.18686	4.6
494.33542	4.0
495.14694	19.2
495.18579	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	494.2595
Annotation	Unknow
Peak:m/z	Relative Intensity
52.38456	2.4
53.03933	5.6
54.61979	2.2
55.01877	4.3
55.05515	7.7
57.03432	6.1
57.07072	2.9
57.77177	2.5
61.02911	4.5
67.05485	6.4
69.03414	20.3
69.07060	5.9
69.89840	9.6
69.90252	5.3
70.06591	12.3
71.04984	7.2
72.08136	6.8
75.04441	3.4
79.05478	9.6
81.03400	9.5
81.07059	14.3
84.08136	3.2
85.02897	70.5
86.09710	12.4
87.00808	9.9
91.03965	3.2
91.05441	17.4
93.07030	56.3
95.04955	5.2
95.08592	16.9
97.02872	18.0
99.04438	7.2
99.08114	3.2
105.01855	10.5
105.07018	12.0
107.08583	100.0
109.02860	11.5
109.06493	4.3
109.10143	7.5
115.07552	3.7
119.08571	20.7
120.08055	3.1
121.02854	18.6
121.10131	43.5
123.11695	53.8
125.02335	4.6
127.03897	24.1
133.10124	24.5
135.10704	4.7
135.11673	63.6
137.09554	6.1
137.13251	14.0
139.03845	4.7
145.04953	19.7
149.13225	6.4
159.02895	4.6
159.99805	2.7
163.05981	8.5
165.09082	4.1
167.06921	4.1
167.14273	6.3
175.14793	35.6
179.97093	2.9
193.15878	30.0
211.16893	41.8
229.17973	69.1
301.10822	2.7
316.05676	9.7
317.06091	13.5
331.07962	12.2
332.08398	37.8
478.10107	2.6
494.24365	5.4
495.18329	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	494.1864
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	6.2
55.01867	2.6
57.03418	4.1
61.02911	4.7
62.06073	2.3
67.05476	1.8
69.03421	17.2
70.06580	4.9
71.04975	6.3
71.51846	3.3
71.52233	2.3
72.08154	1.9
73.02905	6.3
81.03406	20.6
84.04480	2.0
84.08141	3.3
85.02898	93.5
86.09695	3.4
91.03927	4.1
91.05451	5.5
97.02879	40.0
98.05968	1.7
99.04440	48.3
99.14605	1.7
103.03928	97.8
105.03392	4.2
107.04948	6.2
108.04469	4.1
109.02873	28.9
111.04417	5.4
115.03924	2.5
121.02832	2.8
127.03905	100.0
129.10158	1.5
132.08095	1.9
135.04451	2.5
135.35062	2.0
139.03865	9.2
145.04941	80.2
153.05428	14.6
161.05963	1.6
163.03862	6.0
163.05997	26.5
169.04886	8.6
171.06604	13.2
177.05466	8.7
181.04948	5.2
183.06537	4.6
187.06050	8.2
195.06483	8.2
205.04915	2.5
205.06960	4.0
207.06433	3.2
213.07565	11.0
233.08095	4.9
237.07564	18.4
245.05049	3.8
247.08162	13.1
261.07602	14.7
271.07727	6.2
279.08618	24.3
289.09174	3.8
297.09756	5.8
307.10178	2.1
333.05887	10.9
494.14975	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.3368
Annotation	Unknow
Peak:m/z	Relative Intensity
52.22463	5.2
54.92250	6.2
55.05494	11.4
57.03431	5.7
57.07072	49.8
57.21765	6.1
67.05486	15.9
69.07060	13.5
71.08629	41.2
71.53099	6.5
79.20787	6.5
81.07049	27.3
83.08584	7.9
85.10175	26.6
91.72010	5.6
95.08589	43.6
97.10161	10.1
109.10141	22.6
160.38141	5.1
213.04796	5.7
239.23688	45.6
249.82634	7.1
304.32053	5.2
313.27313	100.0
399.29492	6.2
422.14563	5.5
450.64587	5.9
490.75577	6.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	494.1864
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	1.6
54.77412	0.8
55.01858	1.8
57.03437	3.8
58.31721	0.7
61.02920	7.9
62.88614	0.7
69.03420	15.5
69.59571	5.7
70.77084	0.7
71.01322	0.9
71.04995	2.1
73.02905	3.0
80.73374	0.7
81.03409	6.6
82.49979	0.7
85.02898	100.0
87.04446	1.8
88.75177	0.7
91.03949	6.5
93.58366	0.8
97.02884	24.7
99.04425	3.5
109.02879	8.6
121.02856	24.7
127.02972	1.5
127.03909	26.1
145.04947	48.4
153.05452	31.4
155.01692	0.8
163.06009	16.0
239.24048	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.2275
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	7.7
55.01863	6.0
55.05514	15.9
56.05026	3.6
56.07788	2.9
57.03434	3.2
57.03981	2.9
59.04994	2.7
61.02925	3.0
67.05508	15.7
68.14999	2.8
69.03422	31.4
69.07077	8.6
70.06590	21.5
71.04983	9.1
71.53013	4.2
72.08147	30.5
73.02894	4.7
79.05482	9.0
79.84695	2.6
81.03409	17.3
81.07070	23.9
83.04965	23.5
83.08574	3.4
84.04498	5.4
84.08138	10.3
85.02898	38.3
85.06541	27.1
86.09683	24.4
87.00813	12.3
90.03947	3.5
91.05472	9.1
93.07050	19.6
94.02631	3.0
95.04980	6.7
95.08595	48.1
97.02885	15.4
97.06519	7.6
99.04436	12.1
99.08083	12.8
101.06024	6.6
105.01848	6.3
105.07031	11.6
107.08567	18.7
109.02873	10.9
109.06512	6.8
109.10159	20.9
110.07178	4.7
111.04462	3.3
111.08090	4.8
113.09636	22.5
119.08569	9.9
120.08087	24.9
121.06579	4.0
121.10117	19.5
123.08069	11.5
123.11694	11.0
125.09634	13.0
127.03905	18.7
127.11257	3.7
129.10229	3.5
131.08577	4.1
133.06438	3.2
133.10146	8.8
135.08061	3.7
135.11684	10.8
136.07582	4.7
137.05946	21.7
137.09627	10.0
137.13205	4.9
138.05469	28.0
139.11174	6.0
145.10144	3.0
147.07930	3.5
147.11697	6.3
149.09628	4.5
149.13290	3.9
151.07591	3.5
151.11140	5.0
153.12723	8.6
155.10660	24.0
156.06560	11.6
161.05984	3.3
161.13174	6.1
165.09114	6.9
167.06953	3.4
167.10649	8.2
169.12245	5.8
171.08055	4.3
171.13797	8.7
173.13075	5.3
177.05441	4.9
179.14301	21.6
183.13806	26.4
185.09198	2.9
185.11884	3.8
191.14342	3.7
195.13814	3.8
197.15358	100.0
201.12445	4.6
209.15291	13.5
215.16403	91.5
227.16397	14.5
245.17473	56.4
294.14490	3.1
313.11676	5.9
316.05792	8.7
331.08127	21.4
331.12622	8.4
493.17587	11.3
493.23819	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	493.1817
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01850	0.7
55.05499	0.3
66.18401	0.3
69.07071	0.5
70.06590	2.3
70.58227	0.4
70.58553	0.6
72.08140	0.7
81.03437	0.4
83.04951	0.4
84.08138	1.3
85.02892	1.0
86.09702	0.9
91.05484	0.9
94.06557	1.2
97.02920	0.3
103.05473	0.3
106.06525	0.4
107.04896	0.3
108.04472	0.5
108.08092	0.4
118.06500	0.5
119.04962	0.4
119.07304	0.5
120.08082	2.3
121.08881	1.0
122.03668	0.5
122.06010	0.5
129.10233	0.7
132.08101	1.3
133.06467	0.4
133.62682	0.3
134.05984	1.5
136.07600	0.7
137.05954	1.6
140.07071	0.8
146.06044	1.0
148.07562	2.5
149.06059	0.4
151.07585	0.5
152.07072	1.5
158.05994	0.5
158.09616	0.4
160.07603	0.6
161.05885	0.4
162.05496	0.5
162.06737	0.5
163.05983	0.4
166.08636	0.5
168.06560	0.7
170.09680	0.5
174.07890	2.5
174.09196	0.6
175.08696	1.3
176.07059	1.2
177.05458	0.5
178.08560	0.4
184.11253	0.5
186.09146	0.6
187.08635	0.6
187.12279	0.7
191.80466	0.3
194.08157	2.6
197.10707	0.7
198.09166	0.8
199.08533	1.8
199.12317	0.4
200.09435	1.4
201.10229	3.1
202.08658	0.6
212.11034	0.7
213.10213	2.2
214.09145	0.4
214.11014	1.6
215.11769	5.8
224.10886	0.7
225.10233	1.2
225.14018	0.4
226.08783	0.5
226.10814	0.9
227.08163	1.2
227.11751	4.5
228.08820	0.6
228.12595	0.6
229.09708	2.7
229.13251	2.3
237.10321	0.7
239.11823	2.5
240.10353	0.5
241.09579	1.7
241.13414	1.4
242.10493	1.3
243.11285	2.5
246.11183	0.6
251.11496	0.5
252.12666	0.5
253.13377	1.4
255.11246	3.8
256.11920	0.9
257.12811	2.5
259.10922	0.5
259.14383	0.5
267.11102	0.5
269.12799	4.8
270.13629	0.8
271.14441	1.3
272.11368	0.5
273.12271	2.3
274.13242	0.5
279.11124	0.6
281.12778	2.3
283.10812	0.8
284.11325	0.5
287.13910	5.2
288.14694	1.5
289.15411	0.9
296.11234	3.4
297.12280	3.6
298.09705	0.5
298.13077	3.2
299.13898	14.5
300.14337	1.1
301.11780	0.9
313.11826	0.5
315.13354	11.0
316.14087	19.1
317.14694	2.0
324.10770	1.2
327.13452	0.4
331.08206	0.6
331.13010	0.7
351.11993	1.3
357.14282	0.7
365.14801	0.5
369.14441	0.7
375.15649	1.2
391.15042	0.6
411.15732	0.6
419.14328	0.7
424.29205	0.4
429.16302	0.7
437.15271	0.5
447.17496	1.0
465.18701	5.7
475.17191	2.3
493.18152	100.0
494.18457	5.3
494.24973	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.1336
Annotation	Dillenetin 7-glucoside
Peak:m/z	Relative Intensity
53.78537	0.5
55.05493	1.2
63.54557	0.5
67.05499	1.0
68.99803	0.5
69.03396	0.8
69.07044	0.8
70.06577	1.8
71.52234	0.4
71.52652	0.7
72.08141	0.7
74.49290	0.5
79.05465	1.5
79.93262	0.6
81.03408	0.8
81.07042	2.7
84.08121	0.7
85.02876	1.1
85.06512	1.0
86.09690	2.3
91.05456	1.5
93.07033	1.4
93.33776	0.5
95.04950	0.8
95.08592	1.2
105.07030	1.0
107.04892	0.9
107.08568	1.7
109.10149	1.6
119.08601	1.0
120.08103	1.2
121.06502	0.6
121.10143	1.6
123.08044	0.6
123.11703	0.8
124.05167	0.6
124.07626	0.5
129.10222	0.6
133.10106	1.2
135.11665	0.9
137.05951	1.1
151.03911	0.9
151.07463	1.2
153.01842	1.1
159.11751	0.7
165.09123	2.1
167.07027	3.8
173.06046	0.9
187.07631	0.7
205.08621	1.1
217.04939	1.2
217.08511	0.7
229.05049	0.7
245.04379	3.4
270.05035	0.8
271.05905	1.0
273.03854	5.3
279.17200	0.5
285.03876	0.8
287.05438	2.0
288.06201	1.8
300.02719	0.8
301.03421	9.8
315.04984	12.0
315.08582	1.7
316.05737	47.0
317.05908	1.3
329.10333	0.7
330.10953	1.4
331.08084	100.0
332.08459	2.1
383.14603	0.7
394.88782	0.5
404.14615	2.1
493.13168	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	492.2439
Annotation	Unknow
Peak:m/z	Relative Intensity
52.63310	0.6
52.78160	0.7
53.03938	1.5
53.70639	0.7
55.01857	1.4
55.05491	1.9
57.03421	4.6
57.19978	0.7
57.94501	0.8
59.04980	1.7
61.02916	1.8
67.05505	3.9
67.26952	0.6
69.03423	8.6
69.07047	3.0
70.06577	1.3
70.49458	2.7
71.04987	3.4
73.02901	2.4
73.06480	0.7
75.04481	1.0
79.05486	2.3
81.03413	5.6
81.07050	5.8
83.04967	4.4
83.08602	2.8
85.02898	16.8
85.06528	1.6
86.09692	1.6
87.00822	8.5
91.05463	1.4
91.52190	0.6
93.07029	4.4
95.04961	1.0
95.08598	5.5
97.02880	8.9
97.06520	1.7
98.21590	0.8
98.85620	0.7
99.04443	3.2
105.01857	5.0
105.07020	3.7
107.08583	18.3
109.02875	6.6
109.06480	2.9
109.09467	1.2
109.10149	14.8
111.08067	2.4
117.01841	0.8
119.08559	3.1
121.06477	1.4
121.10128	18.2
123.08070	2.0
123.11684	2.1
125.09604	4.4
127.03912	10.1
129.01794	0.7
131.08554	3.0
133.10118	8.5
135.08063	4.4
135.11694	4.4
137.05899	0.7
137.09615	10.8
137.13278	0.9
139.11183	3.3
143.10661	1.6
145.04953	4.5
145.10085	2.1
147.11665	3.2
149.09637	3.1
149.13235	10.8
151.11166	17.5
153.09096	1.8
153.12730	0.8
158.10930	1.1
159.02885	1.9
163.14818	13.4
165.12663	1.4
167.07030	0.7
167.14313	0.8
168.07405	0.7
169.12221	7.0
173.13237	13.3
179.14261	1.3
182.05632	0.6
191.14290	44.6
192.14641	1.5
209.15353	27.1
210.15691	0.8
213.03966	1.7
227.16399	100.0
228.16739	2.4
230.72723	0.8
231.04945	1.5
241.76180	0.8
269.17319	0.7
301.03299	1.6
316.05719	4.2
331.08109	6.9
428.27939	0.7
439.20209	0.9
457.20535	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	492.2439
Annotation	Unknow
Peak:m/z	Relative Intensity
50.06777	0.9
51.39587	0.9
53.03933	2.2
54.58874	0.9
55.01864	2.2
55.05496	2.1
57.03424	5.3
57.92948	0.8
59.05003	1.2
61.02921	1.5
67.05499	4.1
69.03423	11.5
69.07059	3.7
70.06577	6.8
70.92635	1.4
70.92977	1.8
71.04982	4.2
72.08152	2.0
72.41568	0.8
73.02905	1.9
75.04472	1.3
76.96339	0.8
79.05468	2.2
81.03400	6.3
81.07049	5.7
83.04981	4.2
83.08590	2.6
84.08138	2.5
85.02375	1.1
85.02894	22.5
85.06540	1.1
86.09696	3.9
87.00826	8.7
87.83204	1.0
91.05468	2.7
93.07018	4.6
95.04959	1.9
95.08588	6.1
97.02875	10.3
97.06527	1.6
97.10158	1.1
99.04443	3.4
105.01858	5.2
105.07014	4.9
107.08578	17.6
109.02864	6.6
109.06501	2.4
109.10157	12.5
111.08036	2.2
119.08567	3.2
120.08089	3.9
121.06491	2.1
121.10142	13.9
121.10961	1.7
123.08051	2.3
123.11697	3.8
124.43643	0.8
125.09617	4.0
127.03889	12.5
129.01825	0.9
129.09082	1.1
129.10161	1.5
131.08553	3.3
133.10127	8.2
135.08037	2.8
135.11693	3.7
137.05997	1.5
137.09610	11.7
139.11143	2.1
143.08627	0.8
143.10709	0.9
145.04955	4.3
145.10104	1.7
147.11710	3.4
149.09610	3.7
149.13220	8.9
150.13583	1.0
151.07458	0.9
151.11174	15.5
153.09082	1.9
153.12787	1.6
159.02910	2.5
163.14822	11.5
163.66470	0.8
165.09123	3.0
167.07014	2.7
168.07362	1.5
169.12213	4.1
173.05988	1.2
173.13263	10.8
177.05318	0.9
191.14284	37.2
209.11705	1.2
209.15352	24.7
227.16389	100.0
228.16812	2.2
245.80551	1.1
331.08212	1.3
383.25537	1.0
439.19211	1.5
457.20648	1.6
492.19409	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	492.2438
Annotation	Unknow
Peak:m/z	Relative Intensity
51.83288	1.5
53.03932	2.7
55.01858	4.6
55.05497	8.0
57.03415	5.1
57.07071	3.2
59.04979	1.6
61.02909	3.7
67.05492	4.3
69.03421	14.3
69.07064	8.2
70.06579	5.8
70.65339	4.0
71.04969	4.0
72.08131	2.9
73.02907	2.9
79.05474	4.1
81.03415	10.3
81.07038	9.8
83.04957	3.4
83.08614	8.5
84.08108	2.3
85.02895	40.5
85.06532	2.9
86.09690	4.8
87.00815	15.6
91.05463	6.6
93.07028	8.9
95.04951	17.0
95.08594	6.6
97.02884	12.7
97.06521	25.4
99.04452	8.1
99.08071	2.5
103.05418	1.3
105.01853	19.4
105.07024	22.9
107.08581	20.7
109.02869	7.6
109.06503	33.8
109.10133	7.7
111.08064	4.4
113.05983	1.3
113.09574	1.3
117.01803	1.7
117.06980	1.6
119.08556	12.2
120.08083	5.1
121.10134	23.7
123.08057	12.9
123.11681	4.0
125.09640	1.9
127.03903	20.3
129.01839	1.3
129.10239	2.1
131.08563	8.8
133.10115	78.7
135.08049	7.5
135.11678	4.8
137.05936	1.4
139.11147	2.0
145.04974	9.5
145.10103	3.0
147.06689	1.3
147.11665	40.8
149.09557	2.1
149.13222	4.0
151.11203	7.7
153.09087	19.3
158.10905	2.8
159.02864	4.5
163.11092	1.7
163.14832	9.0
165.09085	2.0
165.12737	18.8
167.07018	2.5
171.10124	1.7
172.81970	1.3
173.13254	17.2
191.14288	41.5
192.14799	1.4
209.15347	100.0
210.15594	3.3
225.14780	2.1
227.16400	86.2
231.04958	4.8
269.17413	1.8
327.20166	1.3
391.85895	1.2
407.69049	1.3
457.20074	1.3
475.21280	2.0
492.29379	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	492.2436
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	3.0
55.01865	3.0
57.03440	4.8
61.02921	8.8
69.03425	16.1
69.03780	1.6
69.23407	8.6
70.06573	1.8
71.04989	1.6
73.02911	3.5
81.03409	6.6
81.07049	1.2
83.01341	0.9
85.02900	100.0
86.03251	1.3
86.09695	2.0
87.04475	2.0
91.03955	6.2
91.05465	1.9
93.07062	1.3
97.02886	26.3
99.04453	3.8
107.04945	1.0
109.02887	7.2
109.06505	33.7
110.10213	0.6
115.03905	0.9
119.51969	0.9
120.08136	0.9
120.45623	0.7
127.03907	25.0
133.10152	3.0
145.04948	41.7
151.11162	27.4
162.07556	0.8
163.06013	18.8
163.11179	0.8
167.07022	1.3
180.08670	1.5
191.14258	1.0
211.63170	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	492.2434
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	3.8
55.01862	2.1
55.05507	11.6
57.03431	4.8
57.07063	2.9
61.02901	2.1
67.05493	7.0
69.03426	16.5
69.07057	5.5
70.06572	5.0
70.87840	2.7
70.88151	2.3
71.04993	4.8
72.08134	2.6
79.05482	5.9
81.03403	8.4
81.07069	12.6
83.04964	4.8
83.08604	8.3
85.02891	34.2
85.06531	3.5
86.09686	5.5
87.00826	16.5
91.05462	8.9
93.07059	12.8
95.04968	19.1
95.08606	8.7
97.02892	10.4
97.06517	13.2
99.04471	7.3
99.08086	5.8
105.01851	15.8
105.07018	27.3
107.08591	19.5
109.02880	8.4
109.06516	38.6
109.10135	13.7
113.06004	2.1
113.09659	2.0
115.03867	2.2
115.07545	8.0
117.06996	3.4
119.08569	14.8
120.08099	2.5
121.10135	28.5
123.08060	12.5
123.11680	4.5
125.09576	2.1
127.03912	14.7
127.07570	3.3
131.08528	17.6
133.10115	95.1
135.08041	8.0
135.11670	4.7
139.11212	3.2
145.04953	5.3
145.10109	6.3
147.11670	38.7
149.09596	3.4
149.13272	6.8
151.11163	5.5
153.09097	15.9
158.10970	3.1
163.11201	3.7
163.14801	5.4
165.12720	11.8
171.10051	3.1
173.13255	39.1
175.09499	2.5
175.14838	3.7
191.14294	62.4
199.39319	1.8
209.15352	91.4
210.15646	1.9
225.14873	2.6
226.58601	1.8
227.16393	100.0
231.04900	3.1
314.77402	2.2
315.30515	1.9
468.59073	2.1
492.30173	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	492.2435
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	2.6
55.01852	3.1
55.05505	1.3
57.03435	5.4
59.21991	0.8
61.02924	9.7
67.05501	1.0
69.03091	1.2
69.03428	18.3
69.07054	1.1
70.06573	3.4
71.04974	1.4
71.52638	0.9
72.08145	0.9
73.02897	4.0
75.92470	0.9
79.74007	0.9
81.03409	7.9
81.07050	2.8
83.01319	1.1
85.02900	100.0
86.09673	3.1
87.04445	2.3
91.03947	5.3
91.05475	1.6
93.07048	1.9
93.53885	0.9
95.04951	1.2
97.02302	1.5
97.02889	26.5
98.05977	1.0
99.04470	4.7
101.02403	0.9
105.07005	1.4
107.04898	0.9
107.08578	1.6
109.02880	8.5
109.06508	12.2
109.10187	1.0
115.03905	1.2
116.12840	0.9
119.08545	1.6
120.08067	1.1
127.03911	23.6
129.10249	1.0
133.06496	1.1
133.10147	1.8
135.07971	0.9
138.09059	0.9
144.06448	0.9
145.04947	47.1
147.07982	1.5
149.09578	1.0
149.13359	0.8
151.07559	1.4
151.11163	10.5
156.96590	0.9
162.07674	1.1
162.58133	0.9
163.06013	13.2
163.11229	1.0
165.09053	1.0
167.07016	5.4
168.07445	1.7
173.05959	1.1
175.07597	1.7
175.11203	1.9
181.04973	1.4
187.11154	3.2
191.10748	1.0
191.14380	1.7
209.15340	1.4
217.12221	3.8
227.16383	3.5
277.14331	1.5
331.08243	2.0
464.18695	1.0
492.18924	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	491.1655
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01842	0.6
55.05495	0.6
56.04997	0.6
60.04471	0.4
66.46865	0.4
67.05470	0.5
69.03390	1.8
69.07026	1.0
69.61327	1.5
69.61738	1.3
70.06580	3.1
71.04964	0.5
72.08141	2.6
72.63143	0.4
72.84736	0.4
73.82014	0.4
74.06079	0.4
79.05471	0.7
81.03355	0.5
81.07014	1.3
84.04459	1.3
84.08099	1.6
85.02888	2.3
86.09697	4.4
91.05416	1.2
93.07050	2.8
95.04937	0.6
95.08572	1.1
97.02817	0.6
98.21446	0.8
99.04402	0.6
102.05489	0.8
105.07013	1.0
106.64102	0.4
107.04913	0.5
107.08572	0.7
109.06501	0.5
110.07078	0.5
120.08065	1.7
121.08840	0.7
121.10123	5.3
122.05968	0.5
123.11650	1.1
125.09482	0.5
127.03865	0.4
129.10193	0.9
132.08054	1.8
134.05957	0.7
136.07509	1.4
140.06987	0.8
140.44537	0.4
145.02794	0.5
146.06017	0.5
147.06732	0.6
148.07509	1.9
149.09558	2.0
150.99689	0.4
167.06963	0.6
167.10631	1.0
168.06519	1.7
174.07860	4.8
174.09244	0.7
175.08603	1.8
177.05428	0.7
188.09351	0.8
198.09062	1.7
199.08594	2.1
199.12326	0.9
200.09354	1.2
201.10266	3.8
201.12204	0.7
202.10973	0.5
207.06505	0.7
209.10657	0.6
211.08620	1.3
212.10838	0.6
213.10196	1.9
214.10950	2.2
215.11778	7.5
216.12500	1.0
225.10139	1.9
226.08783	0.5
226.10962	1.5
227.08099	1.8
227.11728	6.0
229.09735	3.9
229.13412	2.3
230.10362	0.5
236.10793	0.5
238.12192	1.1
239.11710	3.4
241.09700	1.7
241.13367	1.1
242.10388	2.9
242.14067	0.4
243.11282	3.5
244.09726	0.5
244.11862	2.2
252.12532	0.5
253.13260	2.3
255.11246	4.1
256.12030	0.7
257.12842	3.0
259.14362	0.5
269.12814	3.7
270.13577	1.1
271.14432	0.8
273.12183	2.5
281.12817	3.3
283.10687	1.2
287.13867	9.1
288.14520	1.7
294.09314	0.4
297.12253	3.0
298.13062	2.6
299.13861	29.4
300.14325	0.8
301.11874	0.5
301.61847	0.5
311.09937	0.5
315.13354	19.4
316.14111	71.6
317.14536	1.8
322.08920	0.5
387.15170	0.4
403.14969	0.7
405.11914	0.5
431.14371	2.2
463.17145	2.1
473.15335	1.0
491.16519	100.0
492.16891	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	491.1754
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01855	1.9
55.56911	2.0
56.05021	2.3
59.24711	2.0
60.20734	2.1
62.11346	1.9
69.03432	4.3
69.68598	13.6
70.02940	2.7
70.06576	6.2
72.08153	10.3
81.03423	4.6
83.06077	2.4
84.04488	11.7
84.08139	8.2
85.02891	7.1
86.09682	6.5
89.03898	7.3
91.05444	2.3
97.02882	5.4
102.05512	6.8
117.03363	18.7
120.08057	2.6
127.03941	3.1
129.10219	4.2
134.98914	1.9
135.04427	2.6
140.07025	3.6
145.02834	52.6
145.04950	2.4
149.05957	7.1
150.06764	3.0
162.07527	4.4
167.06979	12.2
168.19374	2.5
177.05461	100.0
189.00429	2.3
195.07861	2.7
204.89815	2.3
215.83659	2.3
233.71822	2.6
234.30157	2.4
261.07739	2.2
339.10834	3.0
360.10806	2.3
389.70520	2.1
491.16022	4.0
503.37622	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.176
Annotation	Unknow
Peak:m/z	Relative Intensity
60.04495	1.4
69.03414	3.1
69.28958	10.5
69.29370	2.3
70.02902	1.1
70.06590	3.3
71.04984	2.3
72.08128	1.7
81.03406	2.6
84.04491	1.7
84.08132	2.5
85.02888	5.1
86.06069	1.5
86.09695	4.2
89.03906	5.7
97.02883	1.4
97.63010	1.1
105.03382	3.7
106.03683	1.7
117.03378	16.5
127.03863	1.8
129.10249	1.9
145.02829	45.9
149.05988	5.2
149.07820	1.4
167.06999	1.3
177.05455	100.0
195.06389	1.7
208.06781	1.4
225.21506	1.4
267.08719	1.8
268.08899	2.1
339.10745	5.3
395.69604	1.3
491.21204	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	491.1655
Annotation	Unknow
Peak:m/z	Relative Intensity
50.80148	0.4
55.01850	1.0
56.05016	0.5
59.36491	0.4
67.05495	0.7
69.03397	1.6
69.07044	1.0
70.06596	4.5
70.38548	0.8
70.38956	1.4
71.04981	0.8
72.08143	2.2
74.06077	0.4
79.05465	0.9
81.03397	0.5
81.07030	1.3
83.04928	0.5
84.04482	0.9
84.08136	2.1
85.02906	2.0
85.77312	0.4
86.09702	3.4
91.05441	1.2
93.07060	2.5
94.06519	1.0
95.04968	0.7
95.08600	0.7
97.02895	0.9
99.04431	0.8
102.05536	0.5
103.36008	0.4
105.07009	0.7
107.07338	0.5
107.08569	1.2
120.08084	2.5
121.06461	0.5
121.08863	0.6
121.10128	4.4
123.11692	0.8
127.03851	0.5
129.10199	0.6
131.08566	0.4
132.08083	2.3
133.10077	0.7
134.05939	1.0
136.07558	1.1
139.11125	0.5
140.06990	1.1
145.04883	0.4
146.06003	0.7
146.08424	0.5
147.06790	0.9
148.07515	2.0
149.09589	1.7
151.06204	0.5
151.90869	0.4
152.07155	0.5
167.07005	0.5
167.10655	1.2
168.06525	1.1
170.09610	0.5
174.07857	3.9
174.09108	0.5
175.08661	1.4
177.05396	1.0
178.57895	0.4
181.04770	0.4
184.11038	0.6
187.12317	0.7
188.09445	1.2
194.08051	0.7
197.11711	0.8
198.09068	0.7
199.08711	2.3
200.09370	1.4
201.06448	0.5
201.10223	4.3
209.10699	0.8
211.08611	0.5
212.09283	0.6
213.10210	2.9
214.11038	1.1
215.11797	7.0
216.12512	1.5
225.10191	1.6
226.08669	1.0
226.10999	1.8
227.08090	1.2
227.11787	5.8
228.12491	0.7
229.09758	4.0
229.13391	2.8
238.12279	1.0
239.11757	4.0
241.09792	2.0
241.13280	1.1
242.10333	2.6
242.14093	0.5
243.11276	3.6
244.12054	1.9
253.13338	2.4
255.11200	4.8
256.11758	0.6
257.12778	3.1
269.12799	4.4
270.13510	1.1
271.14362	1.0
273.12466	2.1
281.12811	3.9
283.10730	1.3
287.13879	8.0
288.14664	1.0
297.12332	3.6
298.13202	2.6
299.13885	31.1
301.11771	1.0
315.13358	18.9
316.14148	65.4
317.14545	2.2
403.14929	0.7
431.14374	2.4
463.17157	1.5
473.15417	1.2
491.16553	100.0
492.16977	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	491.2861
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	0.6
55.01864	0.6
55.05505	14.9
56.05030	0.8
57.05809	1.2
57.07064	0.6
57.41057	0.5
58.06577	0.7
58.99624	0.5
67.05492	1.7
69.03419	1.3
69.07065	1.3
69.11449	0.5
70.06589	5.4
71.52084	0.6
72.08147	100.0
73.08495	0.6
74.02429	4.2
79.05482	1.8
80.26336	0.6
81.03416	0.8
81.07050	1.7
81.91895	0.5
82.06590	1.0
83.05014	1.0
84.04484	1.2
84.08134	7.4
85.02886	4.7
86.09696	6.1
88.33857	0.5
91.05486	2.7
93.07040	2.5
95.04949	2.1
95.08610	1.3
96.08102	0.5
97.02904	1.6
99.04456	1.0
99.09235	0.8
100.07624	1.7
107.08588	2.1
109.02925	0.7
109.06530	0.6
112.07591	0.9
112.93394	0.5
117.10285	0.5
119.04933	2.6
119.08579	0.6
120.08109	1.4
121.06523	0.7
121.10144	1.5
123.04449	1.3
123.11644	0.8
127.03919	1.7
127.08700	1.4
130.08661	2.3
133.10094	0.7
136.07556	4.6
137.05978	1.5
138.12776	1.2
140.07172	0.6
140.14330	11.9
140.15349	1.0
143.11798	0.6
145.02863	0.9
145.04971	1.6
145.10130	0.7
146.06032	1.9
147.04454	1.6
148.07565	1.3
149.09651	1.4
151.07516	2.4
152.10823	0.6
157.04964	1.7
160.07616	1.5
161.09676	0.8
162.05540	1.0
163.06062	0.5
165.05463	3.9
166.12286	1.1
167.10623	0.8
174.12869	0.6
177.05476	2.3
177.09154	0.8
182.08046	2.6
183.11351	0.6
183.14876	1.3
185.09526	0.8
187.11273	0.6
189.05499	0.7
189.09068	6.3
190.12306	0.8
191.14279	0.8
192.06584	1.4
194.11801	1.6
198.12894	0.5
202.12253	9.9
211.14391	5.5
219.10129	0.5
219.15060	0.7
229.13635	0.6
230.11723	1.1
231.10123	7.2
239.14001	0.7
241.12604	1.8
245.05070	0.8
247.14412	0.6
248.12784	11.5
265.15570	2.2
275.13843	3.7
276.12460	0.6
277.15524	1.2
281.14993	2.4
293.15112	1.2
310.21240	1.5
313.17746	0.5
319.20145	0.8
321.14542	2.3
329.11749	0.8
329.18356	1.4
330.17432	1.6
347.19550	2.8
374.20663	2.8
375.19000	4.9
392.21710	7.3
420.21222	40.8
421.21722	1.0
463.29276	2.4
473.27414	4.9
474.25977	31.5
475.26212	0.9
491.17181	0.9
491.28378	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	490.2281
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	3.2
55.01860	2.6
55.05495	3.5
57.03422	3.0
64.40787	1.3
67.05487	1.6
69.03426	6.9
69.05785	1.0
69.07056	1.3
69.97121	4.0
69.97532	1.6
70.06606	1.2
71.04985	2.4
73.02886	1.5
79.05498	1.8
81.03406	4.8
81.07050	6.0
83.04990	5.1
85.02897	30.3
86.09695	2.2
87.00821	7.1
91.05451	1.9
93.07041	4.5
95.08599	3.0
97.02887	9.3
97.06521	3.2
99.04440	2.9
105.01856	6.7
105.03428	1.2
105.07024	5.0
107.08569	7.4
109.02868	8.2
109.06507	14.3
109.10133	3.9
111.08065	3.5
117.01870	1.2
119.08571	7.6
119.27420	1.1
121.10148	13.5
123.08063	5.1
123.11697	15.7
125.09612	2.0
127.03919	12.8
132.10185	2.0
133.10126	2.0
135.08139	1.0
137.09605	28.3
145.04942	4.9
145.10101	1.9
147.07991	2.3
147.11685	14.8
149.09631	5.3
151.07552	1.5
156.09285	1.3
159.02837	2.6
161.13255	7.6
163.11195	1.5
165.12740	100.0
166.09477	1.4
166.13072	2.1
171.11612	1.6
174.10373	3.7
177.11118	1.0
179.14305	8.1
189.12740	20.4
190.13200	1.4
207.13786	55.9
208.14067	1.9
231.05014	4.2
245.23592	1.2
334.27731	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	490.2282
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	2.4
55.01862	1.7
55.79053	1.3
57.03432	2.0
67.05507	2.7
67.27186	1.4
67.44659	1.5
69.03420	6.3
69.07069	2.3
70.06586	4.6
71.05006	2.7
71.13265	3.9
72.08138	2.3
78.28527	1.4
79.05482	3.4
81.03413	5.9
81.07053	5.9
84.04455	1.6
84.08132	3.4
85.02898	33.1
86.09710	8.0
87.00820	5.3
91.05462	7.9
93.07030	5.4
95.04993	3.0
95.08593	1.8
97.02909	4.4
99.04434	2.7
105.01852	3.6
105.07038	16.0
107.08557	12.3
109.02859	3.8
119.08584	20.0
120.08085	2.1
121.10133	7.5
123.08051	2.7
123.11707	17.2
125.06007	1.9
127.03938	6.1
128.06241	1.6
129.07031	2.4
129.10207	1.9
130.07809	2.2
131.04971	2.7
131.08559	5.7
133.06506	5.5
133.10112	2.5
135.08060	7.1
137.06035	2.2
141.07068	1.5
143.08566	4.1
145.04968	3.1
145.06413	1.4
145.10100	15.5
147.08018	8.8
147.11676	22.7
149.09605	7.4
156.09322	10.7
159.08083	2.0
161.13268	3.8
171.11665	15.7
174.10480	2.0
177.05423	2.1
189.12729	100.0
190.13139	2.0
207.13786	47.2
224.09206	1.9
225.14789	7.6
231.04951	1.9
340.47275	1.6
397.07962	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	490.2282
Annotation	Unknow
Peak:m/z	Relative Intensity
50.81232	2.1
53.03934	3.6
54.52078	2.2
55.01860	6.0
55.05489	3.0
57.03429	2.1
61.02924	4.0
62.42663	2.0
65.03906	2.8
67.05467	4.0
69.03429	17.6
69.07037	4.8
69.41858	17.4
70.06573	10.7
71.04980	5.7
71.11418	2.3
72.08166	2.7
79.05473	6.0
81.03409	17.4
81.07038	22.0
84.04488	2.3
84.08131	4.3
84.20226	2.2
85.02901	40.1
85.06522	3.6
86.09695	10.5
87.00821	11.7
91.05454	9.2
93.07038	9.8
95.04963	6.5
95.08605	12.1
97.02896	15.8
97.06514	6.4
99.04429	10.4
105.01873	12.7
105.07031	19.4
107.04934	2.2
107.08572	37.4
109.02866	11.3
109.06516	30.5
109.10131	5.2
119.08566	16.5
120.08084	5.3
121.10134	18.8
123.08053	44.9
123.11686	3.3
125.09595	7.5
127.03883	29.7
129.10194	2.8
131.08525	11.4
132.10188	3.4
135.11627	5.5
136.07529	4.0
137.05930	4.1
137.09615	5.6
137.13257	4.8
143.08549	4.2
145.04922	7.1
145.10040	6.2
147.04405	2.2
147.11659	22.8
149.09596	36.3
151.07529	40.7
157.10063	2.4
159.02866	6.5
159.09138	2.6
161.13177	2.4
165.09100	2.8
165.12737	26.0
167.10648	8.0
171.11639	5.2
179.14330	20.2
183.13786	5.9
189.12718	19.3
205.12270	2.8
207.13786	100.0
207.15773	5.3
225.14885	15.4
231.04935	6.8
256.48630	2.3
315.13574	2.3
329.02896	3.1
393.03195	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	490.1918
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	3.1
54.21979	0.5
55.01864	0.9
55.05504	1.2
56.96547	0.9
57.03429	1.7
58.06920	0.5
61.02923	1.1
69.03423	8.2
69.07030	0.6
69.33340	5.5
70.06599	4.3
71.04988	17.2
72.08159	3.0
73.02901	1.1
79.05511	0.7
81.03413	7.6
83.04990	2.3
84.04509	0.8
84.08129	2.0
85.02895	12.7
86.09705	5.2
87.04485	0.9
89.06025	100.0
90.06367	0.9
91.05473	1.8
93.07044	1.1
95.04966	0.8
97.02883	29.5
98.21548	1.0
99.04446	5.9
103.03900	0.5
105.07039	2.2
107.08560	1.3
108.04454	1.2
109.02865	10.6
110.07146	0.7
111.04417	1.0
115.03902	0.9
117.03378	3.9
117.05519	0.8
119.08569	2.0
120.08110	1.7
121.10152	1.7
123.11750	0.7
127.03904	15.4
129.10201	0.9
131.04959	0.9
131.08513	0.7
133.10146	1.4
135.06520	21.5
135.08092	1.7
135.11697	0.9
137.09566	0.7
143.08571	0.8
145.02850	13.2
145.04947	13.8
147.08044	1.4
147.11684	2.4
149.05971	1.9
149.09612	1.4
156.09319	1.4
159.09085	0.7
163.06024	1.3
167.06964	0.8
171.11667	4.0
177.05458	42.8
189.07539	0.7
189.12741	1.8
190.08623	1.0
195.06532	4.3
197.08032	3.0
199.06017	0.8
207.13812	11.6
215.09180	1.5
217.07159	0.7
229.41618	0.6
243.06424	0.8
243.08664	2.5
261.09656	8.4
279.10724	2.3
285.07727	0.9
300.13254	0.6
309.11032	0.8
377.01703	0.7
420.21240	0.8
490.23315	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	490.1554
Annotation	Unknow
Peak:m/z	Relative Intensity
52.81573	0.4
53.03944	3.6
55.01875	4.0
57.03419	2.0
60.04503	0.9
60.83288	0.4
61.02910	1.7
65.03933	0.7
68.99773	1.2
69.03085	0.8
69.03428	11.1
69.80090	3.0
70.06588	2.6
71.04964	1.4
73.02906	2.6
73.66955	0.4
81.03414	11.1
84.08127	0.9
85.02898	24.8
86.09686	2.2
87.00815	9.4
89.06036	0.7
91.03932	0.9
91.05476	10.3
95.04978	0.6
95.75496	0.5
97.02882	11.5
98.20813	0.7
99.04442	5.2
103.05468	0.7
105.01862	7.1
105.03368	0.6
105.06972	0.7
105.18874	0.5
108.04461	2.8
108.98910	0.6
109.02865	10.2
109.03602	1.0
117.01829	1.7
117.06982	0.6
118.04134	1.3
119.04933	19.6
122.05920	0.4
126.05470	1.1
127.03912	16.5
129.01808	1.5
131.04951	0.6
133.06502	1.1
135.04387	0.5
136.07596	0.8
145.02873	0.7
145.04941	7.6
145.06117	0.9
145.06299	0.7
146.03568	0.8
147.04401	19.0
149.02316	1.3
157.03967	1.3
159.02892	5.4
161.05989	0.7
164.04678	1.6
164.07025	0.5
165.06920	0.6
173.05998	0.9
174.03133	0.7
175.03897	35.0
176.04346	0.7
179.06979	1.7
187.07507	0.7
189.05406	0.8
192.01343	0.5
192.04179	7.4
193.08594	1.5
205.08617	1.4
207.06511	100.0
208.06842	1.8
213.03871	0.6
215.11899	0.7
221.08116	0.7
225.07555	44.1
226.07927	0.7
230.06619	1.0
231.04948	2.8
239.06969	1.0
243.10104	0.7
245.08067	0.6
248.07629	1.5
249.07620	3.6
255.11095	1.0
271.09622	1.5
273.07501	0.7
291.08673	0.7
299.13885	1.0
299.22861	0.5
315.08618	1.1
315.13354	6.0
316.14011	1.9
330.76062	0.5
491.16629	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	490.1914
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	5.4
54.73191	3.5
57.03420	3.9
58.48410	3.5
60.04507	6.5
61.02909	12.7
69.03424	24.2
69.07084	3.8
69.45593	28.7
70.06595	15.8
71.04991	5.1
72.08135	7.4
73.02897	6.5
79.05467	6.8
80.45197	3.2
80.98920	3.2
81.03391	10.0
84.04490	5.5
84.08116	4.8
85.02898	82.2
86.09691	10.3
87.04431	3.9
91.03919	5.9
91.05479	20.8
95.04949	9.7
97.02885	43.7
99.04424	8.8
103.05450	9.5
105.03381	62.0
105.07026	6.2
107.04905	9.7
109.02856	12.5
117.03320	3.1
119.04900	7.8
120.08087	15.0
123.04405	9.9
127.03876	33.3
130.06502	11.6
131.04936	4.4
132.08061	11.3
133.05200	5.3
136.07608	5.6
145.02815	9.1
145.04944	41.0
147.04404	8.1
148.07550	100.0
149.05937	9.3
149.09726	3.4
150.09180	6.1
163.05998	6.8
163.71059	3.7
164.07104	3.5
166.08621	20.7
175.03889	9.2
177.05441	20.7
183.58424	3.5
192.04236	4.0
204.06573	5.1
204.08659	3.9
206.10229	20.4
207.06520	32.4
225.07552	8.3
236.99124	4.6
250.07079	4.8
267.08530	21.1
310.12558	4.1
328.13885	5.0
445.83832	3.8
472.57773	3.8
480.20782	3.5
490.18417	6.2
506.13406	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	489.307
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.7
55.05510	11.4
56.05025	0.7
57.05814	1.4
67.05498	2.0
67.97819	0.5
68.95310	0.4
69.07037	0.6
69.25499	4.3
69.25919	1.1
70.06584	3.0
72.08151	100.0
73.08484	0.9
79.05468	0.9
81.07066	1.5
82.06586	0.5
84.07627	1.0
84.08140	16.3
85.08907	0.6
85.51563	0.5
86.09705	1.7
91.05481	1.4
93.07047	1.6
95.04981	2.8
95.08624	0.7
98.22755	0.5
99.09196	0.9
105.07049	1.4
107.08552	0.7
109.06546	0.7
109.10173	1.0
109.17118	0.5
112.07610	3.3
114.09160	19.6
115.05472	0.5
117.07005	5.0
119.08557	0.8
121.06497	20.9
121.10132	0.8
123.11761	0.7
127.08678	1.7
127.43929	0.5
131.04965	1.6
131.08589	0.6
133.06493	0.6
135.08043	0.6
137.05939	0.6
138.09126	8.7
138.12773	0.8
141.10255	1.0
142.08640	4.7
145.06465	4.2
147.99147	0.5
149.09613	0.6
159.08061	0.6
159.11688	0.6
161.05981	7.2
161.89497	0.6
162.09178	0.5
165.05424	0.7
166.12283	2.2
167.07031	2.4
172.08864	1.7
173.06023	0.7
175.11177	1.6
176.07088	0.6
181.04945	1.6
183.14961	3.8
187.11172	80.0
188.11511	1.4
194.11745	1.7
204.13828	26.7
205.14194	0.7
211.14453	5.7
214.12209	1.3
215.10725	1.9
221.16489	6.2
225.16020	0.9
230.11700	1.2
231.14906	1.3
232.13300	6.6
237.15977	14.0
249.15945	3.8
253.15485	17.5
292.16611	1.0
294.50531	0.5
303.20663	19.8
313.18976	0.9
320.23264	2.7
324.22714	3.0
330.21643	2.4
331.20126	5.0
348.22803	32.4
349.22891	0.7
352.22290	5.6
376.22266	1.8
390.23788	3.2
410.27814	0.9
430.26736	0.7
459.16235	0.6
461.30923	1.2
471.29684	1.4
489.17990	1.0
489.30728	28.1
490.30969	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.2843
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01844	0.7
55.05496	2.9
57.03416	1.8
62.00681	0.5
65.03932	1.0
67.05499	11.1
69.07056	3.4
70.92268	1.0
79.05486	5.1
81.07045	12.4
83.08584	1.6
91.05471	10.2
93.07027	5.5
94.59798	0.5
95.08593	9.5
97.06519	1.3
97.10182	0.9
97.50296	0.4
105.07014	1.8
107.08579	3.0
107.79327	0.5
109.10151	3.9
110.96854	0.5
111.08051	1.2
114.00247	0.5
119.04926	18.5
119.05791	0.9
119.08575	1.9
121.10131	3.6
123.11681	1.1
129.05400	0.5
131.08493	0.7
133.10147	2.7
135.11678	2.5
137.09602	1.1
145.10092	0.9
146.01138	0.4
147.04390	100.0
147.11633	0.5
148.04666	1.3
149.13191	0.7
151.11162	1.3
165.05444	16.2
173.13220	0.9
187.14799	0.8
214.13531	0.5
215.17938	1.5
221.08060	1.3
233.18987	1.9
251.20059	2.2
257.09970	0.5
275.12653	0.6
325.23694	12.3
337.40344	0.5
473.14633	0.5
489.28198	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.3054
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	18.9
55.27710	4.3
57.03433	29.6
57.07069	96.3
58.39631	4.5
61.02903	6.9
66.88477	4.4
67.05492	31.0
69.03397	9.0
69.07045	18.1
71.01346	37.6
71.08623	68.6
71.53063	4.3
71.53513	8.0
73.02911	40.6
75.04469	8.8
79.05466	7.9
81.07056	46.6
83.01307	5.3
83.08595	29.7
85.02890	91.0
85.10169	33.3
86.06999	4.7
93.07016	5.8
95.01319	16.6
95.08594	67.5
97.02881	40.7
97.10155	10.1
99.00781	8.3
101.02378	14.3
103.03918	18.0
107.08607	6.5
109.10156	41.2
111.11724	5.9
113.02361	34.9
116.03463	4.5
123.11701	16.0
131.03384	18.9
133.10013	5.0
137.13205	7.3
141.01802	43.4
145.04941	5.0
159.02887	13.4
159.06509	5.8
169.04953	9.9
170.15567	4.4
182.58876	4.6
188.92455	35.6
197.04402	9.6
206.93517	5.3
215.05399	18.8
226.94040	15.6
239.23657	59.8
244.95065	5.8
313.27347	100.0
333.14957	8.0
335.16663	12.0
341.91800	4.3
351.16122	5.1
355.28528	14.0
357.85489	4.9
415.13147	6.0
453.28119	6.2
471.16019	50.0
472.15900	5.6
489.30304	40.3
512.18671	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	488.2852
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05495	7.1
57.87189	5.9
63.97781	5.1
67.05493	22.2
69.03429	7.0
69.07062	11.1
71.04994	5.1
71.53022	8.3
79.05478	14.1
81.03419	10.3
81.07050	43.8
84.04533	6.5
85.02905	45.1
87.00821	12.1
90.09191	5.2
91.05510	8.8
93.07021	31.5
95.08600	74.8
97.02864	26.6
99.04469	6.6
105.01839	28.5
107.08584	25.7
109.02860	10.2
109.10146	59.4
112.44927	5.2
121.10124	19.6
123.11697	47.9
127.03921	40.4
128.64403	5.7
130.04996	7.0
135.11707	37.5
136.61412	6.0
145.04950	28.8
149.13252	100.0
159.02936	6.5
205.19490	87.8
230.06689	6.5
231.04984	20.4
249.06088	13.9
284.09814	26.3
395.88718	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	485.2871
Annotation	Unknow
Peak:m/z	Relative Intensity
52.14001	3.1
55.05513	3.6
57.03437	6.5
57.07075	24.0
57.53139	2.3
62.10411	2.8
67.05476	5.2
69.07021	3.5
69.42954	22.1
71.08621	22.0
81.07037	6.5
83.08599	5.3
85.10182	8.5
91.23852	2.7
95.08603	10.3
96.37103	2.4
97.10126	2.9
98.98476	10.1
99.31182	2.8
109.10164	7.7
155.00952	4.7
171.09900	2.9
211.42607	2.9
313.23590	5.0
313.27341	100.0
314.27765	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	486.2692
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05492	10.7
67.05500	12.5
69.07071	6.4
71.52397	8.4
78.00013	4.9
79.05462	14.9
81.07050	21.4
83.08599	16.8
91.05474	16.9
93.07040	15.3
95.04974	6.7
95.08596	6.4
96.51990	5.2
101.26493	5.3
105.07021	15.2
105.48795	5.5
105.49456	6.9
107.08575	11.6
108.90675	6.1
115.35040	5.4
117.07018	9.0
119.08577	15.2
121.10185	6.0
123.08090	5.9
129.07027	6.9
131.08539	9.8
133.10103	7.7
142.29231	5.1
203.69028	6.4
215.10652	10.1
225.09177	9.5
241.33116	5.7
243.10153	19.2
261.11139	8.7
273.17657	6.0
275.19928	7.0
276.20526	9.5
287.04352	7.2
289.10791	7.9
298.23550	5.3
307.11700	14.6
325.12805	100.0
343.08414	5.1
351.31152	5.2
415.21249	15.8
433.22037	14.7
451.23535	34.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.2537
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	8.1
55.05508	23.8
57.07045	6.0
67.05515	24.9
69.03422	22.5
69.07054	19.5
70.06588	15.9
71.04990	23.3
71.52777	10.9
72.08147	10.0
78.62784	5.1
79.05502	30.0
81.03418	13.3
81.07050	90.1
82.07397	6.2
83.04998	6.4
83.08610	11.2
84.04485	4.7
84.08148	10.7
85.02900	36.1
85.06514	7.2
86.09695	15.2
87.00811	13.6
91.05479	17.6
93.07028	56.6
95.04951	14.3
95.08599	57.1
97.02887	19.1
97.06553	8.8
97.10152	6.8
99.04456	8.8
99.08079	12.6
105.01857	12.0
105.07027	44.0
106.07356	6.7
107.08579	65.4
109.02891	12.5
109.06517	8.2
109.10138	43.4
111.08073	6.3
115.03936	9.7
117.07003	10.1
119.08583	60.6
120.08057	10.8
120.08884	5.4
121.10126	29.7
123.11672	33.6
125.09613	8.2
127.03917	25.2
127.11212	8.0
133.10124	49.0
135.11678	100.0
135.12698	6.1
136.31342	4.6
137.05984	7.4
137.09575	7.9
139.11179	6.1
143.10617	8.8
145.04967	6.0
145.10080	13.6
147.11632	32.3
149.13254	18.2
153.12698	13.0
157.10101	7.8
159.11708	10.2
161.13266	15.0
163.14818	6.3
165.09123	9.9
187.11226	5.7
189.09184	6.4
201.12860	5.5
203.17938	49.5
205.19547	12.3
221.18996	25.8
312.27924	5.5
389.77881	7.1
423.20801	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	485.2379
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	8.2
55.01862	10.2
55.05501	16.2
57.03428	5.4
57.07088	3.7
61.02922	4.6
63.78071	3.0
67.05495	33.8
68.99783	4.0
69.03425	50.7
69.07066	17.0
69.37056	27.9
70.06573	9.7
71.04994	20.7
73.02917	5.8
74.56615	2.8
79.05489	25.6
81.03418	32.1
81.07050	100.0
83.04973	11.1
83.08607	11.3
85.02431	6.0
85.02899	68.9
85.06535	9.7
86.09715	5.3
87.00818	23.1
88.47669	2.8
89.17580	3.0
91.05472	32.9
93.07038	47.9
94.67044	2.9
95.04958	16.5
95.08601	43.5
97.02886	24.5
97.06523	9.3
97.10191	3.8
98.97534	4.9
99.04443	10.0
99.08096	21.3
105.01857	19.0
105.07024	90.9
107.08574	47.0
109.02869	22.8
109.06511	7.8
109.10154	54.7
111.08074	9.9
115.03923	4.9
117.07015	5.2
119.08567	52.3
120.08104	7.6
121.06506	7.5
121.10130	35.3
123.08080	7.0
123.11701	28.8
125.05964	4.5
125.09629	28.0
127.03907	33.1
127.07559	18.5
127.11194	7.3
128.06216	3.5
129.01797	4.1
129.06947	6.7
131.08551	17.7
133.10114	78.1
135.08064	7.0
135.11662	13.9
137.06017	5.0
137.09644	14.1
139.07599	3.1
139.11111	3.8
139.12895	2.9
142.07787	3.5
142.83624	3.1
143.08560	7.4
143.10643	16.6
145.04941	10.0
145.10124	27.1
147.11667	54.2
147.68704	3.1
149.09543	5.6
149.13232	7.2
151.11166	9.9
157.10132	9.8
159.02901	8.3
159.11688	20.7
161.13228	13.9
165.09036	3.7
165.49078	3.2
167.10719	5.3
169.10120	3.7
171.11656	3.9
173.09549	4.0
173.13208	6.9
175.11198	5.5
175.14857	7.1
177.05286	3.9
181.12398	3.4
191.17911	3.0
201.16379	20.0
203.10434	3.8
203.17929	15.3
205.12265	3.3
219.17456	44.3
219.70552	3.3
221.19051	4.0
223.11087	2.9
231.04990	7.5
231.17339	3.4
234.64436	3.5
237.18443	79.9
485.23386	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	485.238
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	8.2
55.01852	8.9
55.05496	12.4
57.03433	2.6
57.07069	4.5
59.26052	2.4
60.05130	2.7
64.04937	2.7
66.23344	2.5
67.05500	25.3
69.03426	31.8
69.07040	12.3
69.20574	29.0
70.06590	4.9
71.04981	18.3
73.02874	2.8
76.55470	2.5
79.05485	20.9
81.03407	13.8
81.07050	100.0
83.04973	6.6
83.08603	5.7
84.08118	4.0
85.02895	37.3
85.06545	6.8
86.09708	15.9
87.00843	13.8
87.04450	3.1
91.05466	30.5
93.07047	34.8
95.04941	11.7
95.08600	41.1
97.02889	16.7
97.06552	6.6
97.10159	3.3
99.04424	4.9
99.08092	17.3
105.01855	8.5
105.07019	81.2
107.08596	40.3
109.02863	9.7
109.06483	8.5
109.10148	45.1
111.04447	4.5
111.08068	4.4
115.03887	6.2
117.07014	7.9
118.48978	2.7
119.08568	51.6
120.08096	4.0
121.06480	5.5
121.10130	36.3
123.08024	6.8
123.11698	27.8
125.09612	30.4
127.03897	19.4
127.07559	16.7
127.11186	7.4
129.06967	3.6
129.10213	3.7
131.08553	13.6
133.10120	65.7
135.07965	4.2
135.11674	11.8
137.05913	3.9
137.09596	13.4
137.13243	3.0
143.08556	5.8
143.10701	18.5
145.04955	4.9
145.06418	2.7
145.10120	21.6
147.11681	55.9
149.09543	4.8
149.13280	6.5
151.11142	4.6
157.10103	9.2
159.02846	6.1
159.04149	2.6
159.11667	20.2
161.09581	5.1
161.13258	14.8
167.10641	5.0
171.11623	4.8
173.09625	3.6
173.13263	6.0
175.07561	3.1
175.11130	3.0
175.14787	6.2
181.12169	4.1
201.16371	17.7
203.10687	3.5
203.17937	15.5
219.05235	3.0
219.17422	47.7
221.18910	4.2
237.18523	29.9
309.11139	3.3
512.49115	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	485.1056
Annotation	rostratin C
Peak:m/z	Relative Intensity
55.05469	2.2
56.62405	2.3
56.96549	2.9
57.03436	2.2
57.07317	1.7
58.97569	1.5
69.03419	3.1
70.06586	10.4
71.52544	2.0
72.08122	3.2
74.06071	1.7
79.05479	3.3
81.07031	5.3
84.08120	2.4
84.96008	1.8
85.02888	5.3
86.09679	3.3
91.05466	8.8
93.07052	2.1
95.04945	2.5
95.08572	2.2
97.02869	2.2
98.97548	9.9
107.08532	2.2
110.07108	3.8
116.98575	5.9
117.03382	2.6
122.05982	3.5
124.07562	3.0
127.03880	2.7
128.98564	2.3
136.07535	10.5
140.07054	2.3
143.00143	2.0
145.02798	6.2
150.05463	2.2
154.08646	3.5
158.99677	2.4
161.01187	3.3
164.07047	9.1
169.81728	1.7
177.00664	7.4
177.05463	10.2
184.09544	1.8
201.00735	2.1
210.11308	1.7
216.12431	1.8
219.01729	6.4
237.02837	7.7
237.09143	1.9
239.58704	2.3
243.01749	2.6
269.21100	1.9
279.03879	3.8
288.70715	1.6
305.14886	5.5
317.10870	1.7
323.03778	2.8
323.12436	2.4
331.12665	1.9
336.82666	2.2
363.06540	8.0
485.10413	100.0
486.10745	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	485.2374
Annotation	Unknow
Peak:m/z	Relative Intensity
54.25711	3.8
55.01848	5.8
55.05495	12.1
57.03424	4.0
67.05499	23.1
69.07063	8.0
71.04956	5.5
71.28114	4.9
71.28440	4.2
79.05478	23.1
81.03382	4.3
81.06594	5.2
81.07050	71.8
83.08604	8.6
89.71371	4.0
91.05456	18.4
93.07024	24.2
95.04963	10.3
95.08600	20.9
97.06507	6.0
101.05997	7.2
105.07040	22.8
107.04929	8.8
107.08562	10.0
108.62037	4.3
109.06509	24.3
109.10152	10.7
119.08559	20.1
121.10123	9.8
123.08058	6.8
123.70187	5.1
131.08551	11.8
133.10103	7.3
135.11626	5.6
137.49406	4.0
145.10080	10.9
147.11699	16.9
149.09636	6.7
151.11169	6.1
155.28244	3.7
157.10149	5.3
159.11697	10.6
160.10413	3.5
161.13150	5.1
163.11157	13.4
165.12636	8.5
193.12227	6.1
220.98729	3.7
235.54094	3.7
247.20557	5.9
257.18881	8.2
258.72180	3.5
275.20026	100.0
293.21127	35.4
308.85043	4.5
311.19000	4.2
449.22049	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	485.2374
Annotation	Unknow
Peak:m/z	Relative Intensity
51.87768	4.4
55.05484	12.8
56.43053	5.3
67.05489	31.1
69.07058	14.2
71.52692	9.7
78.09425	4.6
79.05492	42.3
79.11115	5.0
81.07051	100.0
83.08602	8.9
91.05447	25.5
93.07031	27.4
95.08617	25.6
104.23045	4.8
105.07018	32.7
107.08578	18.2
109.06501	33.8
109.10137	11.8
111.08034	5.7
119.08544	23.2
121.06490	6.0
121.10133	14.4
123.08060	6.4
123.11707	6.0
131.08519	13.4
133.10110	22.4
135.08003	6.9
145.10170	12.0
147.11716	28.4
149.09601	12.2
149.13235	6.1
159.11636	7.8
160.81291	6.1
165.12776	29.0
171.11769	6.0
172.75484	4.8
173.49954	4.9
193.12196	5.7
210.18477	5.0
247.20564	10.1
257.18909	11.6
275.20044	87.2
293.21005	15.5
325.12653	15.6
449.21982	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	485.0319
Annotation	Unknow
Peak:m/z	Relative Intensity
53.93452	3.2
54.61604	2.6
66.12016	2.7
66.30318	2.6
69.57298	20.5
98.97588	8.8
108.00718	2.5
116.98624	6.3
121.83288	2.9
134.99657	8.2
174.97601	3.2
177.01064	3.3
192.98662	2.8
216.95375	3.1
232.96701	6.6
233.96770	2.8
234.96443	5.7
234.99890	10.0
236.99709	4.0
250.97719	6.0
251.97890	3.4
252.97578	14.7
253.00824	4.8
256.96692	5.7
258.96558	9.9
258.99933	15.9
259.99887	5.3
260.99850	12.3
261.03058	8.1
264.98398	3.4
274.97726	25.1
275.97821	9.0
276.97559	40.7
277.00998	24.4
277.63846	2.9
277.97934	3.7
278.01144	11.7
279.00821	18.8
280.00937	5.3
282.99954	25.0
284.00082	7.6
284.96719	4.4
284.99710	31.9
286.00131	3.9
292.98792	5.2
293.99197	3.2
294.98718	9.2
298.97617	17.7
299.97992	11.9
300.97565	32.9
301.01053	53.0
301.97964	4.7
302.01016	20.0
303.00845	60.7
304.01010	7.5
305.00659	4.6
316.98770	41.0
317.98825	25.5
318.98663	78.9
319.02139	4.6
319.98657	6.4
321.01852	4.8
337.00012	3.9
340.00323	3.2
340.99005	2.8
342.00146	4.1
344.38321	2.9
360.99762	13.9
376.98212	3.2
385.00061	3.9
400.97284	3.9
402.01349	8.0
403.00977	13.8
404.00998	8.7
406.99927	3.8
408.99869	6.7
418.98895	13.1
420.98700	3.3
425.01505	8.9
425.40637	3.7
427.01123	14.3
441.99805	3.9
442.97916	56.2
444.02704	5.6
445.02158	50.4
446.02231	6.0
460.00247	4.0
460.99841	100.0
461.99750	8.2
468.03806	4.9
484.01294	12.7
485.01273	34.4
503.02496	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	483.2715
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05492	19.1
57.07071	14.6
66.54760	6.2
67.05497	7.4
69.07069	32.3
69.80611	34.5
72.14725	5.9
73.91670	6.2
81.07060	10.9
83.08615	30.0
89.06020	5.7
95.08608	9.8
97.10143	13.6
98.20937	10.7
98.98473	11.2
100.96609	5.7
115.79107	6.7
125.48392	5.7
158.34009	5.8
192.02679	5.8
234.89000	5.9
248.71120	8.0
311.25760	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.3828
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05496	2.6
57.07061	2.0
67.05493	4.3
69.03429	2.0
69.07053	6.0
69.66038	6.7
69.66442	2.1
74.37530	1.5
75.06268	1.1
78.43447	1.2
79.05472	2.1
81.07047	9.3
81.17494	1.4
83.04964	3.9
83.08623	2.6
91.05478	2.6
93.07019	7.5
95.08609	16.4
105.07011	4.9
107.08583	11.4
109.10163	8.7
119.08588	8.6
121.06512	1.8
121.10127	11.2
123.08110	1.4
123.11711	4.2
124.96301	1.4
133.10130	6.1
135.08023	3.5
135.11684	9.5
137.13216	3.5
145.10106	2.1
147.11684	3.0
149.09586	14.0
149.13266	3.9
153.29852	1.3
159.11655	2.0
161.13225	4.7
163.11201	2.2
163.14877	2.2
173.13307	2.0
175.14822	3.2
177.16406	3.3
187.14746	1.6
189.16374	5.4
191.17931	3.6
205.19679	1.5
215.17957	1.8
233.19002	4.0
234.19086	1.7
257.01315	1.4
277.18008	2.3
287.23697	3.9
483.38290	100.0
484.38596	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.2583
Annotation	Unknow
Peak:m/z	Relative Intensity
52.20971	3.1
53.03934	5.7
55.05513	15.4
57.03437	9.3
62.63669	3.6
67.05495	42.9
69.03426	6.2
69.07066	20.1
70.06570	4.8
70.43394	9.9
71.01339	6.3
72.42126	3.5
73.86245	2.9
74.69518	3.0
79.05486	36.2
81.07049	100.0
83.04972	8.4
83.08621	10.7
83.67690	3.5
85.06514	3.0
89.02359	3.9
91.05476	38.3
93.07029	23.7
95.04973	7.7
95.08602	23.0
97.06515	7.8
99.00818	5.0
105.07024	30.3
107.04944	9.9
107.08591	16.4
109.06502	16.5
109.10136	10.6
117.07016	7.2
119.08573	26.4
120.08086	3.2
121.06454	4.6
121.10138	13.6
123.08053	8.7
123.11685	9.2
129.06966	5.7
131.08560	14.8
131.81879	3.4
133.10094	17.1
135.08051	7.4
145.10120	12.8
147.11690	27.2
149.09601	5.9
157.10132	7.0
159.11659	5.1
161.09595	5.3
163.11133	7.0
165.12743	12.1
169.10143	3.7
173.13269	9.5
175.11192	5.2
177.12718	3.6
193.12256	5.1
217.15880	4.0
229.19539	3.5
235.17090	3.2
238.14595	3.1
247.20656	6.6
251.04349	3.0
257.18951	6.5
275.20068	52.2
293.21008	12.7
299.16574	3.7
483.25693	13.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.2585
Annotation	Unknow
Peak:m/z	Relative Intensity
50.28151	5.0
53.03935	6.9
55.01867	12.8
55.05264	9.1
55.05504	78.9
57.03436	25.8
59.04979	15.2
65.03915	6.2
67.05500	100.0
69.03407	5.1
69.07063	33.0
69.07370	5.0
70.48734	19.6
71.01337	7.8
71.18185	5.1
79.05490	80.8
81.03403	11.8
81.07058	74.6
83.04972	15.2
83.08611	84.1
85.06521	5.1
89.02357	9.8
91.05476	72.7
93.07034	69.1
95.04958	46.4
95.08599	55.9
97.06508	14.2
97.10163	8.9
105.07008	60.3
107.04935	37.5
107.08588	51.6
109.06551	5.5
109.10173	27.9
109.10766	5.0
111.08081	19.8
117.07005	22.9
119.08573	65.0
121.06472	17.7
121.10108	31.8
123.08073	11.6
123.11682	8.2
125.55432	5.4
128.06212	5.9
129.06956	9.0
131.08565	31.9
133.10121	46.2
135.08064	9.3
135.11676	15.4
137.09619	10.6
139.11172	5.8
143.08582	6.6
145.10103	44.3
147.08022	9.0
147.11664	32.2
149.09612	54.8
149.13203	5.6
151.11154	11.3
155.08560	6.7
157.10136	7.0
159.11696	18.0
161.13211	11.3
163.11185	65.9
165.12778	19.3
169.10114	6.8
173.13231	9.9
175.14671	7.3
177.12738	10.6
183.11758	8.4
189.11131	6.4
202.81732	5.2
229.19742	10.3
239.17938	24.2
257.19040	25.8
275.20016	83.8
292.40228	5.1
293.21121	13.1
323.52341	5.6
349.23779	32.8
483.26004	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	483.2583
Annotation	Unknow
Peak:m/z	Relative Intensity
51.36599	0.9
53.03945	2.9
55.01870	3.2
55.05505	13.7
57.03426	9.0
60.08718	1.0
65.03934	1.6
67.05500	35.1
69.03426	2.4
69.07065	17.6
70.06592	1.7
71.01354	7.5
71.04993	2.9
71.52946	2.1
79.05486	34.5
81.03411	3.4
81.07048	100.0
81.75317	1.1
82.07392	1.1
83.04993	6.5
83.08607	10.3
85.06534	2.3
89.02393	4.6
91.05472	31.3
93.07037	23.1
95.04948	9.1
95.08594	21.2
97.06528	5.9
97.10124	2.4
99.00831	1.5
99.08086	4.6
105.07025	31.0
106.73967	1.2
107.04965	7.6
107.08587	14.9
109.06503	20.4
109.10149	9.0
111.08058	5.2
117.06982	7.1
119.08566	21.5
121.06519	5.1
121.10147	15.3
123.08053	6.7
123.11707	8.3
125.09586	2.4
129.06982	2.5
131.08549	12.9
133.06540	1.5
133.10120	16.2
135.08018	3.8
135.11691	5.3
137.09590	3.6
141.07059	1.0
142.07735	1.1
143.08524	1.7
145.06483	1.1
145.10114	10.7
147.11674	26.9
149.09604	9.4
149.13226	7.0
151.11179	2.4
157.10123	4.5
159.11673	7.7
161.09612	2.2
161.13249	4.0
163.11150	7.1
163.14816	1.8
165.12733	14.2
169.10167	2.3
171.11687	1.0
173.13266	4.5
175.11119	6.6
175.14781	1.2
177.12721	3.2
181.34346	1.0
185.13152	1.2
187.14899	1.3
189.12923	1.3
191.05524	1.8
191.14375	1.4
193.12228	3.1
195.13803	1.2
201.12762	2.3
229.19586	3.4
239.17979	3.7
247.20572	5.4
257.18951	6.8
267.15805	2.2
275.20035	59.7
276.20447	1.5
293.21048	14.8
304.59573	1.1
349.23688	4.6
465.24527	2.7
483.19861	1.5
483.25967	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	483.1971
Annotation	Unknow
Peak:m/z	Relative Intensity
57.34983	1.0
61.02908	2.1
69.03436	6.1
71.19186	1.5
71.19520	2.2
81.03409	2.2
83.86957	1.0
85.02908	7.7
96.32483	1.2
97.02876	4.1
106.79032	1.0
120.08128	1.5
122.05992	2.1
127.03808	1.2
136.07611	1.5
136.54279	1.3
138.05531	1.2
144.08182	1.1
189.71594	1.2
192.88235	1.2
194.09653	1.6
196.09892	6.9
197.10677	3.8
201.77490	1.1
206.08377	19.1
209.07143	1.5
210.11493	1.7
211.08559	1.7
211.12277	10.2
220.10031	2.2
221.10721	8.8
223.08617	5.3
224.09404	9.4
227.08205	3.6
237.10161	5.1
238.10997	5.8
239.08147	1.9
239.11772	25.9
241.09621	1.9
252.08952	2.1
254.10443	2.1
257.12863	3.4
267.11267	57.7
272.11545	4.1
285.12320	64.5
287.13837	1.5
303.13367	100.0
304.13739	3.5
321.14383	5.3
465.18353	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	482.324
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	1.2
56.04998	1.5
57.03437	1.0
57.07063	3.5
57.14968	0.9
58.06585	1.1
60.08158	17.0
66.41075	0.9
67.05479	1.8
70.22408	1.7
70.22800	2.2
71.07357	7.1
71.08631	1.4
78.78468	0.9
81.07043	2.0
85.10158	0.9
86.09696	49.4
95.08569	2.2
97.30912	1.0
98.98449	3.4
104.10732	99.7
124.99986	27.9
159.25914	0.9
184.07321	100.0
209.58331	0.9
258.10956	1.2
266.13782	1.0
299.25714	2.3
464.31253	7.9
482.32373	26.9
483.32492	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.1471
Annotation	Unknow
Peak:m/z	Relative Intensity
50.34173	0.3
50.93753	0.3
57.80387	0.3
58.33324	0.3
71.22401	0.9
80.48603	0.4
84.84821	0.3
91.36368	0.3
97.02862	0.5
111.05704	0.3
115.89249	0.4
131.01883	0.5
137.05937	0.6
143.01950	0.7
145.03455	1.1
161.02963	0.8
169.03481	1.9
185.02913	0.4
187.04570	1.6
221.05128	0.9
258.85461	0.4
303.13306	0.9
329.07193	1.4
333.38742	0.4
347.09421	2.3
483.14688	100.0
484.15121	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	483.1971
Annotation	Unknow
Peak:m/z	Relative Intensity
55.29861	0.8
56.05022	0.7
61.02889	1.2
61.49796	0.8
67.05497	1.7
69.03422	5.1
70.06586	4.2
70.64896	1.7
70.65302	1.8
71.04992	1.4
72.08156	2.1
73.02930	1.1
81.03404	2.5
81.07054	1.7
83.06100	2.0
84.04494	1.3
84.08121	1.6
85.02882	9.2
86.09679	3.7
87.04436	0.9
91.05479	1.0
93.07076	1.3
94.06569	1.0
97.02876	4.4
108.74973	0.8
109.02888	1.0
110.07147	14.7
112.62574	0.8
114.79466	0.8
115.03892	1.1
117.73049	0.9
120.08112	1.9
122.05990	1.3
127.03858	1.2
129.10199	1.2
135.11620	1.1
136.07581	1.4
145.02820	2.0
145.05049	1.0
166.09772	1.9
177.05420	2.8
184.11317	1.4
185.07037	1.1
194.09618	1.7
195.09099	2.9
196.09898	6.9
197.10658	2.9
200.03671	1.0
206.08374	18.1
209.07169	1.5
209.10707	1.3
210.11522	2.0
211.12286	12.1
220.09947	4.2
221.10735	8.3
223.08659	5.6
224.09360	8.5
225.10216	2.2
226.10968	1.5
227.08163	3.5
227.11617	1.2
237.10277	3.4
238.10994	6.2
239.08060	2.0
239.11736	29.6
241.09706	1.8
252.08923	1.5
254.10550	1.3
257.12811	5.2
258.11298	1.4
267.11255	63.2
271.10739	1.1
272.11478	5.3
275.13873	2.2
285.12305	63.1
287.13989	1.9
303.13354	100.0
304.13779	1.9
321.14206	5.0
367.05011	0.9
465.18759	1.2
465.28204	2.2
466.96964	0.8
483.18558	3.2
483.29199	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	481.2193
Annotation	Unknow
Peak:m/z	Relative Intensity
71.52538	6.6
71.52915	7.0
81.07047	22.4
101.05685	5.7
107.08574	8.0
109.06516	11.6
110.13598	5.3
111.04424	10.1
112.90739	5.7
119.96387	4.7
137.05969	100.0
161.09647	6.8
163.11119	7.0
172.62355	5.1
231.17450	8.0
277.17953	55.0
278.20618	5.7
295.18976	16.3
351.21588	62.7
383.24112	8.8
439.27106	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	482.2593
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	5.2
55.01859	4.6
55.05506	6.0
57.03433	16.9
57.07035	2.2
59.04989	3.1
60.04513	2.4
61.02908	9.2
67.05489	7.1
69.03081	3.1
69.03424	35.4
69.07066	15.1
69.49111	18.4
70.03755	2.0
70.06570	9.8
71.01344	2.6
71.04978	11.0
72.08145	3.5
73.02906	30.8
74.71908	2.2
79.05488	20.9
81.03387	8.7
81.07058	14.0
83.08614	4.1
84.04460	2.2
84.08129	4.5
85.02898	65.9
85.75537	2.1
86.03219	5.7
86.09682	7.4
87.04453	5.0
91.05453	10.7
93.07040	36.9
95.04977	3.7
95.08593	8.1
97.02880	38.3
97.06550	3.4
98.21478	4.7
99.04411	2.2
100.23127	1.9
105.07035	4.9
107.08584	37.7
109.02872	8.5
109.10155	7.3
110.07124	3.5
111.08044	2.0
115.03924	22.0
119.08561	2.3
120.08051	4.4
127.03919	18.8
129.10204	2.8
133.04951	26.7
135.11681	58.1
136.07556	3.7
136.12000	2.8
139.03908	3.1
145.04941	18.6
151.07457	2.3
153.01836	7.8
153.12729	87.2
154.02122	3.9
155.02251	4.0
163.05983	3.3
177.12810	2.4
223.05945	3.2
230.05255	3.1
241.07123	4.1
247.05455	2.9
258.04556	3.5
259.08218	5.6
274.04498	2.4
276.05099	5.0
277.05499	2.6
285.03592	2.8
286.04224	6.1
287.04330	4.1
288.04855	2.6
295.10324	2.6
302.04245	3.6
303.04498	8.6
304.04703	7.5
305.05035	13.1
317.06570	24.7
318.06891	66.1
319.07108	61.3
320.07349	100.0
321.07553	6.2
327.13025	2.6
341.14835	4.2
368.01233	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	482.2594
Annotation	Unknow
Peak:m/z	Relative Intensity
51.52512	1.2
53.03938	1.6
55.01860	5.7
55.05508	2.0
57.03437	11.4
59.56357	1.3
61.02930	8.5
65.03961	1.3
67.05502	6.6
69.03422	22.7
69.07053	4.5
70.06583	3.8
70.84233	2.6
71.01358	2.5
71.04986	2.7
73.02506	2.7
73.02913	50.3
79.05481	12.2
81.03405	3.9
81.07047	9.8
83.04964	3.5
85.02898	55.2
86.09713	2.1
87.04456	4.3
91.03951	1.8
91.05475	15.5
93.07039	78.3
95.04967	4.1
95.08592	12.7
97.02882	38.0
97.06515	5.9
99.04466	3.2
103.03885	1.9
105.07040	7.0
107.08585	100.0
108.08946	1.5
109.02876	4.9
109.06496	2.4
109.10157	6.7
111.04392	1.5
115.03920	18.9
119.08585	3.0
120.08064	2.1
121.10143	4.8
123.35080	1.3
127.03925	16.9
128.87828	1.3
131.08632	1.7
133.04962	28.0
133.10078	3.0
135.11687	81.2
136.12022	1.9
137.05980	2.6
145.04942	24.8
145.10100	2.6
147.11731	2.1
151.11131	1.6
153.12735	12.8
157.10049	1.4
159.11734	1.3
163.06004	10.9
171.13742	2.9
185.13026	1.3
219.13849	1.3
223.05986	3.7
231.13771	3.4
232.26654	1.3
239.11714	2.6
241.07034	6.2
249.14790	2.8
253.09604	2.0
259.08118	5.6
267.11276	2.9
267.15961	3.7
295.10297	3.7
297.16977	1.9
299.14020	2.4
327.13141	6.0
341.14819	5.2
347.60718	1.6
393.09183	1.2
482.23038	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	480.3079
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05481	1.5
56.05005	0.8
58.06577	0.9
60.08157	16.7
61.01162	0.8
67.05473	1.3
67.29281	0.8
69.07043	1.3
70.06561	1.3
71.07364	6.3
71.10179	1.3
79.05466	1.5
81.07037	2.3
82.90704	0.8
83.08582	1.8
86.09698	48.7
95.08586	0.9
97.06526	1.3
98.98453	3.7
104.10729	100.0
124.99101	1.4
124.99992	27.5
129.05392	1.1
137.77800	0.7
143.00957	0.9
163.03856	4.5
184.07324	99.0
185.93742	0.8
194.15855	0.7
207.06462	5.0
258.11194	0.9
297.24203	1.2
300.28876	1.4
365.77948	0.8
462.29849	8.1
480.30786	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	480.3081
Annotation	PE(18:1(9Z)/0:0)
Peak:m/z	Relative Intensity
52.02316	0.5
53.03915	0.5
55.05508	13.4
57.03435	8.4
57.06828	0.6
57.07071	6.4
58.94940	0.5
67.05134	0.5
67.05500	11.0
69.07063	19.6
70.58866	0.9
71.04989	0.5
71.08626	4.0
79.05489	5.0
81.07050	11.8
83.04955	0.5
83.08613	13.7
85.06549	0.5
85.10169	1.5
91.05466	0.7
93.07037	6.8
95.08598	12.7
97.06496	1.2
97.10166	5.9
98.06008	0.6
98.98444	1.0
99.08094	0.6
107.08572	3.9
109.10146	4.4
111.08054	1.5
111.11692	1.5
121.10145	5.1
123.11695	1.1
124.01611	0.6
125.09633	0.8
135.11707	4.5
137.13252	0.7
149.13188	1.5
153.12706	0.5
163.14841	0.5
165.16385	0.6
178.12132	0.5
198.05286	0.5
247.24178	0.7
265.25232	1.3
275.95010	0.6
308.29428	3.0
339.28909	100.0
340.29282	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	481.2023
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	1.4
55.01862	1.6
55.05492	1.6
56.87571	0.8
57.03431	5.6
59.11937	0.8
61.02919	6.9
61.10930	0.8
64.92117	1.0
67.05499	2.6
69.03084	1.3
69.03426	13.6
70.06571	2.5
71.04973	1.6
71.52386	1.5
72.08134	1.2
73.02914	3.5
79.05482	2.1
81.03407	7.8
81.07046	3.5
84.04473	1.9
84.08121	1.2
85.02898	97.6
86.03281	0.9
86.09703	2.0
87.04467	1.4
91.03931	2.2
94.06570	1.4
95.04943	2.7
97.02883	36.9
97.06496	1.7
99.04458	2.8
102.05511	0.9
103.03954	3.5
108.04483	1.9
108.08105	7.1
109.02872	11.7
110.06029	1.4
112.07584	1.2
115.03938	1.4
117.03464	1.0
120.08100	2.2
122.06032	6.1
124.70602	0.9
125.05997	5.4
126.05496	3.5
126.09129	3.3
127.03909	26.4
136.07571	16.7
140.07051	66.4
141.05289	0.9
145.04941	40.6
150.05426	1.5
150.09138	3.0
152.07036	11.2
154.08635	4.9
156.10147	1.2
163.05998	17.6
164.07069	17.8
168.06538	1.0
178.08624	16.6
182.08113	100.0
183.08414	1.1
206.08099	51.7
207.08392	1.5
218.08144	4.7
220.09842	1.0
236.09225	5.3
248.09184	12.3
266.07620	1.0
266.10120	5.7
271.10727	1.5
278.10190	1.1
283.10559	1.1
284.11282	8.4
301.11963	1.7
302.12268	17.6
317.06525	1.5
317.10889	0.9
318.06976	1.4
319.07138	4.6
319.12778	4.7
415.14902	1.1
437.14468	1.3
445.15991	1.6
463.17319	2.2
466.13730	1.0
481.12717	5.7
481.18927	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.2022
Annotation	Unknow
Peak:m/z	Relative Intensity
50.97216	1.6
53.03948	2.5
55.01872	3.5
55.05500	1.8
57.03426	4.3
58.44362	1.7
61.02919	6.5
64.93565	1.3
67.05504	3.5
69.03416	17.2
70.06580	6.3
71.15269	4.1
72.08161	3.8
73.02910	2.9
74.06065	2.3
79.05522	3.0
81.03400	9.1
81.07045	5.1
84.04505	4.0
85.02894	100.0
86.09689	3.4
88.73294	1.5
91.03966	2.5
91.05492	2.4
94.06550	1.9
95.04966	4.0
97.02886	34.0
99.04467	4.0
102.05512	2.7
103.03937	4.0
108.04493	2.8
108.08092	8.5
109.02871	11.1
110.05993	3.1
120.08082	4.4
122.06026	6.7
125.05997	3.8
126.05500	6.5
126.09153	6.2
127.03906	27.2
136.07565	22.3
140.05963	3.3
140.07051	63.7
145.04950	38.3
150.09160	5.5
152.07022	12.2
154.08647	5.5
163.06013	17.5
163.67790	1.8
164.07069	24.2
168.06572	4.7
178.08614	18.0
182.08116	89.6
183.08470	2.0
206.08119	54.8
218.08109	6.5
236.09161	7.4
248.09135	12.5
266.10254	4.6
284.11319	7.2
301.11737	5.4
302.12241	12.5
317.06564	3.7
318.07040	3.7
319.07120	6.6
319.12823	8.5
427.15265	2.2
463.17435	2.8
481.13132	5.6
481.18732	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	480.2073
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	2.5
55.01857	4.9
57.03435	12.2
60.04526	1.8
61.02927	8.2
69.03424	32.1
70.06598	8.3
70.71044	4.0
71.01338	2.7
72.08141	2.4
73.02911	42.7
74.06087	1.5
81.03409	7.5
84.04485	1.8
84.08121	1.4
85.02901	63.5
86.09698	3.5
87.04462	9.7
91.03935	2.4
91.05471	13.7
93.07030	3.4
95.04951	4.4
97.02887	42.5
99.04438	3.8
102.05589	1.3
103.03926	2.7
103.05439	1.8
105.03374	24.4
109.02902	6.3
109.03535	1.3
109.06539	1.2
115.03915	23.0
119.04920	12.1
119.08605	1.3
120.08115	3.1
121.02894	8.8
121.06494	59.2
127.03905	21.8
129.10219	1.3
133.04962	20.9
133.06470	1.7
136.07570	3.1
137.05981	2.0
139.03883	1.4
139.07516	9.0
145.04959	24.5
145.06274	1.5
145.06543	1.5
148.90961	1.5
149.05980	1.7
150.07596	4.0
151.07530	100.0
153.01805	8.2
154.02124	3.1
154.05032	1.8
157.91748	1.3
161.05911	2.2
163.06003	9.0
163.07344	2.1
164.07002	1.5
165.09068	7.8
169.08592	17.8
175.07556	1.3
179.06967	2.9
181.08595	3.5
185.05890	1.3
189.09055	2.0
191.06973	1.4
193.08595	16.0
194.19424	1.2
201.09094	1.7
205.08580	6.4
212.07004	1.1
217.08586	3.0
219.10143	2.5
223.05919	2.8
229.04874	3.6
229.08734	1.4
230.05312	4.1
231.10210	1.6
235.09662	3.7
241.07053	3.4
242.08270	2.3
243.25549	1.3
245.04614	1.6
246.04910	1.3
247.05531	1.5
247.09648	9.8
258.04712	2.1
259.07959	1.6
265.10675	15.9
267.08578	6.8
274.04489	3.9
275.05063	3.4
277.10651	4.5
278.22263	1.3
283.07956	1.5
285.03967	2.5
286.04272	3.8
295.11868	1.8
302.04050	6.2
303.04559	12.0
306.11774	1.3
317.06552	35.9
318.06876	91.8
319.06985	4.2
480.16415	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	480.2438
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	1.6
55.01868	13.4
57.03431	22.9
57.07074	1.6
59.04989	3.8
60.04508	1.6
60.31572	1.3
61.02917	17.0
67.05503	6.5
68.44224	1.3
69.03425	46.3
69.07061	57.6
70.06591	2.7
71.01343	6.1
71.04329	2.1
71.04989	2.8
72.43173	1.4
73.02910	97.7
81.03406	8.8
81.07052	18.6
83.05000	2.2
84.08192	1.4
85.02898	100.0
86.09686	1.4
87.04447	7.0
91.03944	3.0
91.05437	1.4
93.07047	1.6
95.04967	2.0
95.08587	6.1
96.68945	1.5
97.02880	85.3
97.06525	1.7
99.04461	4.4
103.03951	3.3
105.07044	2.0
107.08565	2.5
109.02872	8.3
109.06510	2.6
109.10147	9.6
115.03916	47.5
119.08553	1.6
120.08096	1.4
121.10107	2.2
123.08087	1.7
123.11694	85.6
127.03899	35.6
133.04942	46.9
133.10042	2.0
141.12746	1.8
144.06511	2.5
145.04945	47.9
151.11162	79.6
153.05341	1.4
156.06496	2.1
162.07584	1.8
163.06010	13.7
167.07030	1.4
169.12218	8.8
173.55240	1.3
181.81650	1.4
193.05002	1.5
201.12622	1.3
211.06053	1.5
223.05998	9.4
241.07002	8.3
259.08124	8.0
265.14120	1.5
277.09222	2.3
283.15402	30.9
313.16415	3.8
318.06790	1.5
340.37546	1.5
412.63275	1.5
455.83823	1.6
459.90350	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.2439
Annotation	Unknow
Peak:m/z	Relative Intensity
52.42814	1.8
55.01860	2.1
56.12301	1.7
57.03435	45.7
59.04988	3.5
61.02920	14.7
67.05494	5.6
69.03427	60.2
69.07066	68.4
70.06576	6.9
71.01357	5.1
71.04952	2.1
71.19830	3.2
71.20162	2.4
71.98656	1.9
72.38259	1.9
73.02914	100.0
74.87983	1.9
79.05492	2.3
80.83598	1.7
81.03405	5.0
81.07055	26.6
81.16752	1.9
83.04973	2.6
84.08135	3.5
85.02380	3.4
85.02900	67.0
86.09667	2.6
87.04451	4.5
87.05464	1.8
91.03939	2.3
91.05485	2.1
93.07013	2.3
95.08604	5.9
97.02886	83.6
98.06000	2.2
99.04422	4.0
107.08576	3.4
107.76844	2.1
109.02870	6.4
109.06485	4.1
109.10142	9.6
115.03924	66.5
121.10122	2.0
123.11698	86.9
124.12012	3.2
127.03934	18.5
133.04982	16.7
133.10100	2.0
144.06622	4.3
145.04955	23.3
151.11168	72.8
162.07623	2.4
163.06024	4.4
169.12248	8.8
223.06064	4.2
228.17624	1.8
241.07057	5.5
259.08145	7.0
283.15341	22.0
313.16373	6.9
318.07016	3.5
324.21979	2.0
439.58014	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.3003
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01567	2.9
53.03952	14.7
55.01870	14.2
55.05513	35.9
57.03432	46.1
57.07076	3.7
60.32755	3.3
61.02927	4.5
63.71640	2.9
65.03928	6.9
67.05499	100.0
68.18799	2.7
68.99780	3.4
69.03088	4.0
69.03426	61.9
69.07063	29.5
71.01328	7.1
71.04972	10.2
71.26153	5.8
71.37016	2.7
73.02907	9.2
73.98464	2.6
75.04459	4.1
77.33937	2.6
79.05491	63.5
81.03412	45.2
81.06594	6.3
81.07050	97.2
83.04966	16.2
83.08602	13.0
85.02900	38.8
85.06542	5.4
87.04453	9.1
91.05476	66.9
93.06483	5.2
93.07037	80.8
95.04964	17.1
95.08600	70.4
97.02878	21.5
97.06514	4.5
97.10129	7.6
99.04454	17.9
103.03918	13.0
103.05375	3.1
105.06318	4.1
105.07022	67.6
107.04945	8.8
107.08584	52.2
109.02886	24.5
109.06503	11.9
109.10144	29.8
111.04451	13.9
115.03919	5.2
115.05411	7.5
117.05432	3.3
117.07019	32.7
118.76775	2.9
119.08574	43.5
121.06499	8.6
121.10134	34.7
123.04459	7.1
123.08055	5.5
123.11696	8.6
125.05985	3.0
125.09637	4.3
127.03906	32.1
128.06238	8.3
129.05466	11.6
129.06990	23.6
129.77396	3.7
131.08554	51.1
133.06445	11.3
133.10106	36.3
135.08005	10.5
135.11684	26.2
137.05995	4.2
137.09575	7.2
137.13257	6.0
139.07545	3.2
141.06946	7.3
142.07747	5.0
143.08566	27.1
145.04951	11.5
145.06401	6.5
145.10123	39.1
147.07990	9.8
147.11691	29.1
149.05951	4.8
149.09613	8.1
149.13220	12.9
151.07549	3.6
151.11195	3.9
153.07039	3.0
155.08537	14.8
156.09238	3.6
157.06476	4.1
157.10133	23.3
159.08080	8.6
159.11678	29.6
161.05942	3.6
161.09544	8.1
161.13232	13.7
163.11115	5.2
163.14812	6.5
167.08453	5.1
169.10060	11.3
171.07994	4.1
171.11702	15.2
173.09615	5.7
173.13255	19.1
175.07414	3.5
175.11147	7.7
175.14839	6.7
177.08986	3.7
177.12794	4.7
179.14163	3.9
181.10130	4.3
183.06487	12.5
183.11697	8.4
185.13171	13.5
187.11179	5.8
187.14784	7.5
189.12689	5.3
189.16452	3.5
195.11693	6.2
197.13220	11.2
199.11185	3.8
199.14737	9.9
201.07471	7.6
201.12794	4.1
201.16238	6.0
209.13304	5.3
211.11208	4.5
211.14732	3.9
213.12730	5.0
213.16389	5.7
217.15858	3.6
223.14810	3.7
225.12798	3.0
257.15341	4.7
259.20480	8.2
261.22223	14.1
273.22095	9.9
275.20096	4.1
277.21454	4.9
285.22086	7.4
289.21576	4.5
297.22122	4.8
299.23422	3.5
301.21515	5.9
303.23209	9.0
313.21664	4.4
315.23190	10.4
317.06555	8.6
327.23154	11.9
335.25851	5.9
341.24658	10.7
345.24304	8.6
351.23080	16.1
357.24130	3.5
359.25607	3.8
369.24231	33.2
375.25812	3.5
387.25323	19.5
389.26880	3.5
401.26794	4.4
405.26248	3.7
417.36697	3.3
419.27921	4.2
425.26749	3.9
431.27936	4.0
443.28043	30.5
449.29077	6.3
461.28827	49.4
462.29807	3.9
479.30017	69.3
480.30670	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	479.2996
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	12.1
55.01859	10.9
55.05509	39.7
57.03429	39.8
57.07058	6.5
61.10639	3.3
65.03928	5.5
67.05501	95.7
69.03424	74.5
69.07053	27.1
70.07402	3.2
71.01346	6.9
71.04974	13.8
73.02907	10.6
75.04489	3.8
79.05066	5.6
79.05486	68.3
80.69199	3.0
81.03413	47.1
81.07048	100.0
82.07370	4.0
83.04967	13.5
83.08618	18.3
85.02895	34.8
85.06546	7.2
87.04469	10.2
91.05477	61.3
93.07033	83.7
95.04934	17.3
95.08596	70.7
97.02879	24.2
97.06531	7.8
97.10136	3.5
98.06087	3.8
99.04471	17.0
101.02360	3.4
103.03922	13.6
105.07025	62.1
107.04933	10.2
107.08584	42.2
109.02875	29.2
109.06507	12.7
109.10134	33.7
111.04425	10.2
113.02364	3.2
115.03921	5.6
115.05386	3.8
117.05518	4.4
117.07018	35.2
119.08566	41.9
121.06506	11.9
121.10144	30.5
123.04451	4.9
123.08055	8.8
123.11678	7.8
125.09637	6.3
127.03918	29.8
128.06210	6.5
129.05441	8.9
129.06984	19.8
131.04904	3.9
131.08554	43.8
133.06468	10.6
133.10129	31.1
135.08081	7.5
135.11687	23.5
137.05991	4.3
137.09608	5.6
137.13258	4.2
141.07043	7.1
142.07713	4.3
143.08546	26.7
145.04953	10.5
145.06473	7.2
145.10100	37.4
147.08006	7.3
147.11691	24.0
149.06003	3.5
149.09634	8.6
149.13300	15.9
155.08534	8.2
157.10089	16.5
159.08017	10.1
159.11679	24.8
161.05948	3.3
161.09560	7.0
161.13245	14.3
163.11133	5.1
163.14821	6.9
167.08549	4.2
169.10121	14.0
171.08041	6.5
171.11700	16.4
173.09608	5.3
173.13223	21.6
175.07539	3.1
175.11195	9.0
175.14792	8.2
177.12706	5.2
179.08473	3.9
181.10124	5.3
183.06477	9.8
183.11723	5.9
185.09621	4.6
185.13333	14.6
187.11107	5.9
187.14807	9.2
187.17197	3.3
189.12730	6.9
191.10628	3.7
195.11681	7.7
197.13290	5.9
199.11205	3.9
199.14825	6.7
201.07539	7.0
201.12758	7.1
201.16293	6.3
209.13202	4.1
211.11179	4.6
211.14758	7.3
213.12820	4.3
215.14137	3.8
225.12843	5.5
225.16423	4.2
259.20499	6.5
261.22205	8.9
271.20746	4.0
273.22064	4.1
275.23553	4.3
277.21698	3.6
280.36023	3.1
285.22006	4.3
299.23340	3.1
301.21606	8.6
303.22888	5.0
307.28210	28.7
315.23239	10.6
317.24850	4.2
320.26093	3.4
323.23843	4.1
327.23303	7.6
329.24783	3.1
335.25748	7.3
338.27615	28.8
341.24716	8.8
345.24200	9.2
351.23233	15.7
359.25809	4.1
363.25397	4.8
369.24261	32.6
387.25180	15.5
405.26318	4.8
419.27994	8.6
425.26968	3.8
431.28168	6.7
433.28946	3.4
443.27802	31.6
449.28909	6.7
461.28845	48.3
479.29977	71.7
480.30518	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	479.1245
Annotation	Unknow
Peak:m/z	Relative Intensity
58.99881	0.8
69.03406	3.0
69.64298	2.0
69.64723	3.2
70.79797	0.8
72.08143	0.8
77.00890	1.1
81.03376	0.8
85.02902	4.6
93.54940	0.8
97.02864	3.0
98.20750	1.0
98.45848	0.8
98.97591	1.3
101.00858	2.9
107.36621	0.8
115.02408	1.1
119.01906	7.7
125.81922	0.8
127.03868	1.6
131.01888	3.1
137.02945	1.7
137.06032	1.6
137.07120	0.8
143.01898	1.8
149.02930	1.2
151.03905	1.1
151.06029	1.0
153.01787	7.5
155.01891	2.6
159.69765	0.9
161.02933	7.5
167.05540	2.5
169.07101	3.5
171.05038	2.1
173.02930	5.1
185.06566	27.9
185.82059	0.8
186.06873	1.2
187.00699	1.0
187.08171	10.2
191.04036	1.2
195.05020	6.1
203.07626	79.2
204.07841	2.5
205.01973	1.0
205.09210	12.3
211.08150	2.1
213.06047	25.3
217.04938	1.4
221.05029	1.3
226.09155	1.9
227.07607	6.3
228.04181	1.2
229.04913	4.4
229.09210	4.5
231.07120	87.3
232.07361	3.1
245.04587	1.3
245.08699	1.3
246.05283	1.7
247.10220	1.2
249.08240	5.6
254.08684	2.4
255.07098	14.8
257.04431	1.9
257.08719	1.0
271.06537	2.6
273.03827	1.9
273.08167	32.0
274.04691	4.3
274.08197	1.0
285.03873	4.0
285.08203	5.1
299.06079	37.3
302.04156	14.6
303.09256	14.7
304.09537	0.9
307.05090	1.5
315.09225	2.5
317.06573	100.0
318.06949	2.8
331.12076	1.3
333.10071	1.4
340.08646	1.3
347.11957	1.9
359.08224	3.2
375.11270	1.5
389.09164	2.8
393.12347	9.9
479.15210	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	479.1184
Annotation	isorhamnetin-3-O-glucoside
Peak:m/z	Relative Intensity
57.03416	0.4
58.00230	0.2
61.02605	0.4
61.02922	6.9
65.36756	0.2
66.71409	0.2
69.03419	0.9
70.98049	0.5
72.43519	0.2
73.02913	2.0
81.03398	0.4
85.02898	5.6
87.60713	0.2
91.03946	4.0
92.02628	1.0
93.03392	1.0
94.03654	0.2
97.02883	3.0
101.64552	0.2
109.02863	0.3
111.00725	0.2
121.02904	1.1
126.03109	0.3
127.03895	0.8
137.02293	0.3
137.05852	0.2
139.03893	0.8
145.04942	0.6
145.11401	0.2
151.03891	0.7
153.01814	6.6
165.01823	0.6
167.71385	0.2
177.05664	0.3
201.05478	0.6
203.03447	0.4
217.04909	0.6
218.05731	0.4
219.03133	0.2
228.04189	1.2
229.04962	3.1
231.02802	0.4
237.55563	0.2
245.04352	1.1
246.05312	1.9
256.03714	0.3
257.04428	2.8
260.03177	0.4
261.07590	0.4
271.05960	0.4
273.03894	1.9
274.04718	4.3
284.03098	0.4
285.03909	3.8
286.04391	0.4
296.14911	0.2
301.03595	0.4
302.04202	13.4
303.04532	0.3
317.06537	100.0
318.06891	2.5
329.06744	0.3
348.75302	0.3
359.07568	0.3
389.88818	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.118
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03921	0.5
55.01871	0.3
55.56011	0.2
57.03414	0.7
60.37974	0.2
61.02921	1.4
69.03096	0.3
69.03432	3.7
71.04966	0.5
71.44384	0.2
71.44731	0.4
73.02901	0.4
73.57536	0.2
81.03397	1.6
85.02899	10.3
87.04455	0.5
91.03938	0.4
92.02611	0.9
93.03386	1.4
97.02892	3.4
99.04439	0.6
109.02875	1.3
111.00817	0.3
115.27270	0.2
121.02847	1.0
126.03127	0.6
127.03902	2.1
135.56259	0.3
139.03912	0.9
145.04936	1.4
151.03903	0.7
153.01813	7.3
165.01852	0.7
200.04709	0.3
201.05402	0.8
203.03304	0.6
217.04916	1.1
218.05753	0.8
219.02939	0.3
228.04077	1.2
229.04942	3.4
231.02914	0.5
243.06343	0.3
245.04411	1.5
246.05209	2.2
257.04434	2.7
260.02951	0.4
261.07529	0.5
273.03882	1.8
274.04663	3.6
284.03030	0.4
285.03894	5.0
302.04169	14.0
317.06528	100.0
318.06882	2.4
329.06473	0.3
359.07620	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.118
Annotation	isorhamnetin-3-O-glucoside
Peak:m/z	Relative Intensity
55.31005	0.2
59.31038	0.2
61.02906	0.8
69.03413	0.6
69.38438	0.2
73.02901	0.4
81.03394	0.4
85.02896	3.3
88.04199	0.2
89.78494	0.2
91.03931	0.4
92.02611	0.6
93.03391	0.8
97.02865	1.3
99.04432	0.3
101.19267	0.2
103.97451	0.2
109.02881	0.3
109.24281	0.2
121.02865	0.7
127.03910	0.9
139.03900	1.0
145.04942	0.9
151.03908	0.7
153.01817	7.1
163.03891	0.3
164.06888	0.2
165.01825	0.5
173.05618	0.2
201.05449	0.5
203.03291	0.5
217.04932	0.7
218.05728	0.6
228.04166	1.0
229.04951	2.9
229.55038	0.3
231.02971	0.3
242.58824	0.2
245.04466	1.0
246.05215	1.5
256.03595	0.4
257.04391	1.9
260.03223	0.4
273.03793	1.5
274.04678	3.6
284.03137	0.3
285.03925	4.5
302.04187	12.0
317.06537	100.0
318.06891	2.4
329.06433	0.4
359.07599	0.4
387.48944	0.2
443.09671	0.3
471.36111	0.2
479.11209	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.1178
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03419	0.2
61.02917	0.9
62.84350	0.2
65.03933	0.4
66.45714	0.2
68.99801	0.2
69.03428	1.1
69.64571	1.0
69.64984	0.3
70.06594	0.3
71.04978	0.2
73.02889	0.2
81.03381	0.3
85.02895	3.1
91.03936	0.7
92.02605	1.1
93.03400	1.1
97.02892	1.2
99.04443	0.3
109.02850	0.4
111.00781	0.2
121.02852	1.0
126.03129	0.3
127.03915	0.8
134.23538	0.1
135.04405	0.2
139.03867	0.9
145.04938	0.5
151.03888	1.0
153.01817	8.9
163.03868	0.2
165.01848	0.6
170.68204	0.2
183.02866	0.2
200.04672	0.3
201.05460	0.7
203.03426	0.5
217.04936	1.1
218.05734	0.6
219.02777	0.2
228.04106	1.9
229.04921	3.7
231.02739	0.4
245.04408	1.2
246.05214	2.0
256.03595	0.3
257.04425	2.8
260.03189	0.6
261.07520	0.3
271.05994	0.3
273.03897	1.9
274.04700	4.7
276.20468	0.2
284.03116	0.6
285.03891	5.4
287.02185	0.2
288.06226	0.2
301.03433	0.3
302.04181	14.0
303.04514	0.3
317.06522	100.0
318.06888	2.2
319.61890	0.2
329.06555	0.2
359.07602	0.3
361.24380	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.1182
Annotation	6-Hydroxykaempferol 3-methyl ether 6-glucoside
Peak:m/z	Relative Intensity
55.01841	0.7
55.05492	0.6
57.03424	0.8
67.05479	2.1
69.03428	3.3
69.07064	0.9
70.06599	2.3
71.05011	0.6
71.52433	0.8
72.08137	1.0
79.05486	1.1
81.03398	1.3
81.07052	3.4
84.08136	0.6
85.02895	6.1
85.06523	0.8
86.09683	1.8
87.04442	0.7
91.05451	1.2
93.07020	2.2
95.04975	0.6
95.08575	1.8
96.08894	0.5
97.02863	1.4
97.06480	0.6
99.04466	0.5
99.08065	0.5
99.82955	0.5
101.65350	0.5
102.19614	0.5
105.07012	1.4
107.08575	1.1
109.06515	0.7
109.10141	1.1
115.62469	0.4
119.08534	1.4
120.08083	3.3
121.10110	0.9
123.04412	0.6
125.50066	0.5
127.03880	2.0
131.08519	1.0
133.10141	0.8
135.08049	0.7
135.11646	1.3
137.02333	1.8
145.10146	0.6
146.82124	0.5
151.07516	0.5
153.01768	2.1
165.09117	1.3
167.07079	0.8
173.12910	0.8
195.13777	0.9
195.32341	0.5
196.14148	1.3
200.04742	1.0
228.04153	2.9
229.04936	1.4
245.04427	1.4
256.03604	0.8
257.04526	1.5
273.03833	1.2
274.04721	6.9
285.03897	1.8
301.03430	12.4
302.04181	55.9
303.04587	1.2
317.06528	100.0
318.06799	2.5
332.26550	0.5
359.07623	0.9
459.51105	0.5
479.11746	20.9
479.30969	0.7
479.80515	1.3
480.12323	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.118
Annotation	isorhamnetin-3-O-glucoside
Peak:m/z	Relative Intensity
59.11066	0.2
60.09166	0.3
61.02908	0.3
69.03414	0.9
70.06576	0.3
71.04979	0.2
71.06161	0.7
77.64925	0.2
81.03400	0.4
85.02898	3.0
92.02594	0.9
93.03387	1.5
97.02898	1.2
99.04464	0.3
107.75849	0.2
109.02846	0.4
111.00790	0.3
121.02853	1.0
126.03043	0.3
127.03905	0.8
129.76869	0.3
139.03885	1.0
145.04929	0.4
151.03911	0.8
153.01811	8.0
158.27931	0.2
165.01801	0.9
191.65373	0.2
201.05473	1.0
203.03372	0.7
217.05028	1.3
218.05621	0.5
222.71877	0.2
228.04239	1.5
229.04935	3.6
231.02892	0.9
245.04407	1.6
246.05234	2.0
257.04440	2.8
260.03256	0.4
273.03979	2.2
274.04681	4.6
284.03311	0.4
285.03894	5.1
286.04492	0.4
302.04181	13.3
303.04636	0.4
317.06525	100.0
318.06958	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	479.1182
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84770	0.3
53.03935	0.6
54.22832	0.4
55.00960	0.4
55.01863	0.5
56.24134	0.3
57.03425	1.0
61.02909	1.7
65.03922	0.4
69.03426	3.1
70.97954	0.9
71.04967	0.6
73.02907	0.7
75.27096	0.3
81.03421	1.5
85.02898	10.9
87.04446	0.4
91.03943	0.5
92.02612	1.4
93.03403	1.7
97.02888	2.9
99.04421	0.6
99.93777	0.4
109.02863	1.1
121.02859	1.1
126.03158	0.6
127.03873	1.7
139.03922	0.6
145.04965	1.9
147.10759	0.4
151.03877	0.8
153.01813	7.8
155.49240	0.4
165.01857	0.8
187.03970	0.5
201.05487	0.7
203.03351	0.6
217.04927	1.2
228.04166	1.7
229.04890	3.9
231.02939	0.4
245.04413	1.6
246.05304	2.4
257.04391	2.6
273.03967	1.9
274.04761	4.1
285.03915	4.6
286.04388	0.5
302.04187	15.3
303.04596	0.4
314.14600	0.4
317.06531	100.0
318.06915	3.6
323.34390	0.4
476.20178	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.1181
Annotation	Unknow
Peak:m/z	Relative Intensity
51.71765	0.2
53.03943	0.4
55.01870	0.4
57.03421	0.6
61.02923	2.8
65.03939	0.3
67.05484	0.4
68.99802	0.2
69.03077	0.3
69.03422	2.9
69.07057	0.2
70.06571	0.8
71.04987	0.3
71.52983	0.3
72.08135	0.7
73.02921	0.9
79.05478	0.3
79.39232	0.2
81.03410	1.3
81.07047	0.4
84.04490	0.3
84.08136	0.4
85.02899	8.2
86.09704	1.8
87.04440	0.3
88.49622	0.2
91.03952	1.4
91.05479	0.2
92.02616	1.1
93.03391	1.2
93.07052	0.3
95.04939	0.2
95.08597	0.4
97.02882	3.0
99.04458	0.6
105.07030	0.2
107.04943	0.9
107.08549	0.3
109.02857	1.0
109.06538	0.2
109.10125	0.3
110.07140	0.2
111.00788	0.3
119.08530	0.4
120.08125	1.5
121.02827	1.0
121.10131	0.3
122.75700	0.2
126.03145	0.4
127.03896	1.6
136.07486	0.3
137.02319	0.3
139.03873	0.9
145.04944	1.2
147.75851	0.2
151.03949	0.9
151.04980	0.2
153.01816	8.4
159.04358	0.2
163.03871	0.2
164.07051	0.3
165.01819	0.8
166.08693	0.3
171.08141	0.2
177.05423	0.4
183.02850	0.2
200.04691	0.2
201.05371	1.1
203.03348	0.8
203.07095	0.2
205.05005	0.2
215.03564	0.2
217.04903	1.1
218.05704	0.8
219.02901	0.3
225.00978	0.2
228.04138	1.5
229.04961	3.6
231.02852	0.4
245.04420	2.0
246.05220	1.7
256.03781	0.2
257.04434	2.5
258.05286	0.3
260.03229	0.4
261.07513	0.3
267.13400	0.3
271.05933	0.3
273.03885	2.1
274.04691	4.4
284.03168	0.9
285.03918	4.8
286.04556	0.3
287.05396	0.2
301.03275	0.2
302.04193	13.4
303.04498	0.2
305.08038	0.2
317.06525	100.0
318.06827	1.9
329.06494	0.5
359.07513	0.6
383.07611	0.4
443.08997	0.3
478.33261	0.7
479.11697	0.3
479.27106	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.1182
Annotation	isorhamnetin-3-O-glucoside
Peak:m/z	Relative Intensity
51.80331	0.2
53.32365	0.3
57.03435	0.5
58.23927	0.2
61.02908	0.8
65.03928	0.4
68.99769	0.2
69.03412	0.8
70.06566	0.6
70.77747	0.7
72.08189	0.3
73.02911	0.2
79.13531	0.2
81.03425	0.3
84.08141	0.5
85.02895	4.2
86.09676	0.5
91.03936	0.3
92.02597	0.9
93.03368	1.2
97.02881	0.9
104.05286	0.3
109.02886	0.4
121.02856	1.1
127.03905	0.6
131.08473	0.3
135.04462	0.3
139.03870	1.1
145.04904	0.8
151.03870	0.9
153.01813	7.7
165.01869	0.7
166.02698	0.2
177.05420	0.4
183.02980	0.3
195.62164	0.3
201.05452	0.8
203.03377	0.6
217.04947	0.9
218.05821	0.6
228.04189	1.4
229.04932	3.4
231.02982	0.4
245.04393	1.4
246.05197	1.8
257.04437	2.5
260.03305	0.2
261.07529	0.4
273.03854	1.8
274.04706	4.0
284.03149	0.6
285.03906	5.4
302.04172	12.4
303.04510	0.3
317.06525	100.0
318.06909	2.9
331.12769	0.3
383.07791	0.3
405.97763	0.2
461.15536	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.1181
Annotation	Unknow
Peak:m/z	Relative Intensity
51.10939	0.2
53.03924	0.6
55.01853	0.6
55.05511	0.4
57.03427	0.8
61.02919	1.0
65.03933	0.2
67.05481	0.4
69.03101	0.2
69.03427	3.1
69.07035	0.3
69.20471	0.5
69.20878	2.1
70.06602	1.2
71.01334	0.2
71.04979	0.5
72.08148	0.6
73.02917	0.3
79.05479	0.3
81.03423	2.0
81.07058	0.6
82.09418	0.2
83.01319	0.2
84.04502	0.6
84.08112	0.5
85.02895	9.4
86.09705	1.4
87.04436	0.4
91.03959	0.2
91.05461	0.6
92.02595	1.3
93.03425	1.2
93.07062	0.3
95.04921	0.3
95.08627	0.3
97.02883	3.0
99.04436	0.6
103.05403	0.3
105.07030	0.3
107.08586	0.5
109.02855	1.2
109.17805	0.2
111.00816	0.2
119.04919	0.5
119.08582	0.3
120.08123	1.6
121.02878	1.0
121.10123	1.0
126.03147	0.5
127.03905	2.7
129.10208	0.3
136.07550	0.3
137.02298	0.4
137.05943	0.4
139.03877	0.9
145.04909	1.5
145.06526	0.2
150.09102	0.2
151.03902	1.0
151.07491	0.3
153.00558	0.5
153.01807	8.0
163.03853	0.2
165.01796	0.6
167.06992	0.3
177.05347	0.2
183.02814	0.3
191.11906	0.2
200.04643	0.2
201.05461	0.8
203.03326	0.7
217.04941	0.9
218.05739	0.8
219.11296	0.3
228.04164	1.5
229.04904	3.3
231.02831	0.4
245.04494	1.1
246.05252	1.7
257.04443	3.0
260.03134	0.5
261.07584	0.5
273.03885	1.6
274.04709	4.4
284.03073	0.5
285.03882	5.0
288.05908	0.3
302.04181	14.8
303.04626	0.3
315.04623	0.3
317.06531	100.0
318.06860	2.9
329.06299	0.3
359.07553	0.4
369.20587	0.2
383.07495	0.3
415.99609	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.2768
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	8.9
55.24255	1.7
57.02697	1.7
57.03424	3.9
61.36069	2.3
62.06083	44.5
67.05497	37.6
69.07066	9.5
70.37905	2.1
70.71720	5.8
79.05486	25.5
81.07052	30.7
81.55609	1.9
83.08616	3.2
91.05460	10.6
91.08783	2.1
91.74985	1.7
93.07037	21.8
95.08599	25.4
98.06050	2.6
98.98457	10.9
105.07014	8.7
107.08611	11.2
109.10133	10.9
117.06988	3.6
119.08547	5.5
121.10135	9.0
124.01628	2.4
128.24823	2.2
129.63469	2.0
130.02641	2.2
131.08510	3.4
133.10101	2.9
135.11673	6.9
145.10138	3.1
147.11694	2.0
155.01015	3.2
159.11673	2.8
161.13240	2.5
163.14822	2.2
168.53191	2.0
173.02078	3.6
198.05206	2.1
202.22346	2.0
216.06328	4.9
228.92351	2.0
243.21048	3.3
261.22144	7.2
304.26321	27.2
305.02371	2.7
335.25760	100.0
336.25919	4.7
458.26367	4.1
482.14752	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	478.1917
Annotation	Unknow
Peak:m/z	Relative Intensity
52.28328	0.4
59.88305	0.4
60.06937	0.4
60.40610	0.5
69.03412	0.5
70.65511	1.5
73.04729	0.5
73.23596	0.4
77.84827	0.5
85.02898	3.4
89.42958	0.4
95.84749	0.4
97.02877	0.8
127.03934	0.6
137.05963	100.0
138.06308	1.4
145.04926	0.9
173.93234	0.5
194.42780	0.5
299.11118	1.4
317.06342	0.6
428.61761	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.2926
Annotation	LysoPE(18:2w6/0:0)
Peak:m/z	Relative Intensity
50.28927	0.3
53.03927	0.9
55.01851	0.9
55.05506	13.2
57.03164	0.4
57.03432	7.9
57.07074	1.7
58.80292	0.2
62.06064	0.4
65.03920	0.9
66.04684	0.3
67.05498	28.0
69.07062	17.8
69.87625	0.8
69.88060	0.9
71.04974	0.9
71.08607	0.9
79.05487	6.7
81.07047	28.0
82.07378	0.3
83.04953	0.8
83.08607	7.7
85.06500	0.7
91.05473	4.7
93.06480	0.5
93.07034	7.4
95.04942	0.7
95.08595	19.9
96.08929	0.4
97.06541	1.7
97.10146	4.0
98.06034	0.5
98.20817	0.4
98.98450	0.7
99.08050	0.9
101.05978	0.3
105.07029	3.1
107.08575	4.5
109.10140	6.7
111.08067	1.0
111.11660	0.7
117.35825	0.3
119.08576	2.8
121.10131	3.1
123.08031	0.8
123.11676	2.8
124.01605	0.6
125.09617	0.7
133.10098	2.7
134.26602	0.3
135.11679	1.7
137.09616	0.3
137.13229	1.0
147.11690	1.7
149.13239	1.2
151.14786	0.5
161.13225	1.0
163.14812	0.8
165.12694	0.3
168.82556	0.2
175.14792	0.8
189.16260	0.4
216.06297	0.6
245.22675	0.5
263.23743	0.8
276.25879	0.3
306.27890	2.9
315.34756	0.3
337.27322	100.0
338.27634	3.3
349.24744	0.3
364.47235	0.3
459.78915	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.2923
Annotation	LysoPE(18:2w6/0:0)
Peak:m/z	Relative Intensity
52.02649	0.7
55.05505	11.4
57.03436	4.0
62.06080	27.5
64.92091	0.8
65.03957	0.8
67.05496	27.6
69.07056	11.3
69.93571	4.3
74.81297	0.7
78.22002	0.8
79.05479	7.3
81.07043	24.7
83.08604	6.6
91.05453	4.1
93.07037	6.7
94.15272	0.7
95.08591	19.7
97.06540	1.5
97.10164	2.4
98.06045	1.8
98.98455	8.3
99.08089	0.9
105.07014	2.7
107.08550	4.2
109.10133	7.7
119.08589	1.9
121.10122	3.8
123.11680	2.6
124.01579	1.6
133.10106	2.8
133.38585	0.8
135.11694	2.6
136.02724	0.7
137.13200	1.0
142.02600	1.3
147.11661	1.6
149.13263	1.1
155.01003	5.1
161.13217	1.5
163.14796	1.5
173.02103	2.2
177.16386	0.9
198.05260	1.2
216.06285	3.1
245.22621	1.3
249.76543	0.8
263.23721	6.9
306.27847	18.8
319.26303	1.2
337.27313	100.0
338.27606	3.6
460.28140	3.0
478.29214	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.2386
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	4.6
56.05031	1.3
67.05501	0.5
68.05022	8.6
69.05424	1.0
69.05807	16.6
69.07058	9.7
70.06583	4.7
71.19391	1.0
84.04498	44.4
86.09698	100.0
87.10043	0.7
91.05468	1.8
93.07030	1.0
96.04489	1.7
103.05461	1.2
105.07022	0.7
107.04948	0.6
114.05537	1.5
115.05456	1.6
119.08586	0.7
121.06499	6.9
121.10143	0.8
123.09179	0.9
124.03918	2.1
128.06209	11.6
129.06580	14.9
131.08592	1.4
132.10190	61.7
141.06953	1.5
143.08557	8.3
144.05676	0.5
145.06451	1.1
151.05057	0.6
151.08650	1.4
153.06857	2.1
155.06003	1.1
159.08046	17.0
165.09102	1.0
167.07021	1.2
171.08034	51.4
172.08359	0.9
177.09085	11.0
179.08133	5.8
188.10681	10.1
189.09096	18.6
195.03996	0.5
198.09122	1.1
206.09541	0.7
206.11714	6.6
206.81357	0.5
207.07642	10.9
209.85439	0.5
216.10204	1.6
299.13849	14.7
302.28989	0.5
309.12216	1.3
314.10245	0.5
317.14893	7.2
319.20056	0.5
320.16061	0.6
327.13367	17.6
328.13290	0.5
345.14432	7.0
356.81326	0.5
365.20679	11.1
412.22092	1.3
458.22800	4.7
476.32739	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.2769
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	1.2
55.05508	8.4
57.03161	0.5
57.03433	8.2
57.07062	1.2
62.06068	0.5
65.03931	1.0
66.14251	0.3
67.05502	31.8
69.07065	7.9
69.92982	1.6
71.04988	0.6
71.05370	0.3
74.36980	0.3
79.05488	16.3
81.03436	0.4
81.07050	26.8
83.04974	0.7
83.08614	2.2
85.06528	0.6
91.05473	7.4
93.07037	17.3
95.04952	1.9
95.08601	21.5
95.65173	0.3
97.06483	1.0
97.10143	1.1
98.06035	0.5
98.98442	0.6
105.04515	0.4
105.07033	4.8
107.08585	7.7
107.86797	0.3
109.06471	0.4
109.10149	8.0
109.83825	0.3
111.08096	0.8
117.07039	1.9
119.08584	2.7
120.94503	0.3
121.10135	6.1
123.08049	0.4
123.11689	1.8
124.01578	0.4
131.08575	2.5
133.10106	2.4
135.11688	2.9
136.20671	0.3
137.13208	0.5
145.10085	1.5
147.11674	1.2
149.13232	1.4
159.11690	0.7
161.13219	1.0
163.14810	0.5
171.71729	0.3
173.13245	0.8
187.14850	0.4
216.06311	0.8
261.22131	1.3
279.07059	0.4
304.26331	2.9
335.25775	100.0
336.26074	2.8
469.02814	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.2122
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	5.5
55.01858	5.5
57.03420	4.6
61.02915	9.4
69.03408	21.6
70.06580	13.4
71.52142	4.1
72.08146	8.7
73.02908	8.6
80.80006	4.1
81.03421	7.4
81.26151	4.5
84.04493	5.8
84.08117	7.3
85.02901	100.0
86.09692	11.0
91.03936	5.7
91.05456	25.1
96.04499	3.7
96.36713	3.9
97.02876	36.1
99.04456	7.0
105.03395	54.9
105.07031	9.2
105.88033	3.8
109.02891	9.2
123.04441	11.5
127.03936	26.5
133.06476	9.3
134.09639	5.5
145.04935	50.0
147.04428	5.5
151.07500	4.5
152.07062	15.0
152.10713	12.1
155.63376	3.9
161.05984	19.1
163.06044	11.4
179.06981	7.7
184.23981	4.3
193.08615	13.6
206.10326	7.6
225.07941	4.3
267.08655	16.5
309.35431	4.3
468.53940	4.5
476.20963	6.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.2122
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05470	0.5
70.56697	1.2
79.05477	0.5
84.80909	0.3
91.05473	6.4
93.07013	1.0
105.07014	7.9
107.08574	0.7
109.06499	0.5
115.05389	0.9
116.06203	1.5
117.07003	0.7
118.07752	0.4
121.06493	2.3
123.08066	2.9
129.06961	1.5
131.08557	9.2
131.31381	0.4
133.06499	1.8
133.10115	9.3
135.08034	2.5
136.05180	1.0
137.09615	0.5
138.06743	0.4
147.08043	0.5
148.08826	4.7
151.07533	6.9
161.09573	1.2
163.11166	7.6
165.09087	0.6
165.12715	1.0
170.95847	0.4
178.09862	1.6
181.12230	1.3
191.11801	0.8
193.12222	100.0
194.12527	2.1
203.88364	0.3
213.87285	0.4
228.71780	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.3262
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	3.1
55.01851	2.5
55.05508	7.5
57.03434	20.3
57.07070	48.0
58.90046	1.2
59.04991	1.7
60.62962	1.0
61.02919	57.0
67.05495	15.2
69.03422	24.9
69.07060	10.2
71.01339	3.6
71.04973	2.5
71.08626	32.7
73.02908	23.3
75.04449	2.8
79.05502	2.6
81.03410	17.3
81.07053	19.7
83.01257	1.5
83.04969	2.4
83.08607	15.5
85.02896	52.0
85.06527	1.8
85.10178	17.8
86.42584	1.1
87.04443	2.5
89.06001	1.7
91.03947	33.7
94.02375	1.1
95.08600	26.4
97.02883	52.6
97.10142	6.6
98.21571	1.9
99.04452	9.4
99.11711	1.3
101.02359	10.3
103.03954	7.2
109.02865	11.5
109.10136	13.3
111.11702	1.5
115.03918	4.2
117.05508	3.0
123.11710	6.8
125.13243	1.7
127.03904	23.1
129.05467	5.2
137.13255	2.9
145.04935	8.9
151.14738	1.9
159.06528	2.3
165.16440	1.5
171.77557	1.3
183.06578	5.6
201.07559	5.1
221.22479	1.5
239.23676	29.0
257.24704	5.3
280.79739	1.2
287.44876	1.3
298.27545	1.3
313.27328	100.0
314.27740	3.3
341.26785	3.2
355.28363	2.6
457.31586	4.8
475.32745	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	476.1761
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05495	6.6
57.26306	4.6
57.62140	4.4
59.96358	3.8
67.05485	7.1
69.03427	21.2
70.06598	22.2
71.04992	10.8
73.02917	4.7
79.05487	7.7
81.03412	25.1
81.07037	10.0
84.04470	6.5
84.08133	5.9
85.02896	71.7
86.09699	10.4
87.04468	4.6
90.28735	4.0
91.05459	7.9
93.07030	11.9
95.04939	9.5
97.02885	49.6
97.06544	7.6
98.21523	12.4
99.04455	49.8
103.03934	64.3
105.06998	6.1
107.08592	9.0
109.02861	22.7
109.06553	7.7
109.10139	8.5
119.08578	6.5
120.08103	5.3
121.10098	6.0
125.23620	3.9
127.03918	100.0
133.10110	19.2
134.10492	5.9
138.17366	4.4
145.04947	63.6
147.11740	6.2
149.09769	4.9
151.84067	4.2
153.09128	4.5
163.06071	27.2
163.07205	5.6
165.09099	10.8
209.15334	13.5
210.15665	9.3
219.78362	4.2
219.96013	4.0
220.58589	3.9
225.17253	4.4
227.16341	9.2
227.43297	4.0
228.16609	6.9
233.11612	4.6
376.05893	5.2
408.58728	4.6
449.64255	4.8
476.32986	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	475.1572
Annotation	Unknow
Peak:m/z	Relative Intensity
52.06959	1.3
52.67614	1.7
56.96566	9.3
68.94661	1.4
69.07057	2.1
70.05707	5.1
70.06100	3.3
70.06567	5.9
71.19103	1.4
72.08125	5.4
74.06058	2.1
79.16242	1.7
79.50252	1.5
81.03391	1.6
84.04474	7.3
84.08111	4.4
84.96018	2.0
85.02879	1.5
86.09231	2.6
86.09699	32.2
95.04932	2.0
98.97563	6.4
102.05527	4.8
107.08518	1.5
109.10106	1.7
116.98582	5.7
120.08086	1.6
121.10047	1.8
127.00616	2.8
127.03865	1.4
129.10158	2.2
130.04980	1.5
131.00119	1.6
132.10156	1.9
133.10081	2.3
145.01689	19.9
147.07681	1.5
149.01141	1.6
158.99625	2.3
163.02780	23.0
177.00661	2.9
177.05557	1.5
180.64362	1.5
181.03775	3.5
197.12811	4.6
201.12407	1.7
203.10126	1.6
209.08446	2.0
209.11398	1.5
215.13818	3.6
227.09575	10.6
227.12540	2.4
231.09769	3.9
233.14986	1.7
243.13388	8.8
245.10547	7.1
255.08963	2.4
261.14429	2.8
269.10568	34.4
283.12149	6.3
287.11545	6.7
292.64908	1.8
303.00824	1.8
311.11600	8.1
329.12888	3.7
341.12540	2.5
389.13882	11.8
407.15753	4.9
431.17526	13.6
475.15924	100.0
476.16180	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	473.1997
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	1.1
55.01858	1.5
55.05468	1.7
56.70176	0.9
57.03424	1.1
61.02916	0.8
67.05476	1.6
69.03416	4.3
69.07048	2.3
69.70406	5.5
70.06593	5.4
71.04971	2.7
72.08143	6.4
72.08470	1.1
74.00699	0.8
79.05492	2.3
81.03391	3.0
81.07041	2.0
83.04970	2.2
84.04474	2.7
84.08134	2.9
84.19179	0.8
85.02890	7.3
86.09698	22.6
87.04446	1.0
87.10004	1.1
91.05456	2.8
93.07035	2.2
95.04922	1.2
95.08585	2.8
97.02879	3.7
97.06506	1.0
99.04462	2.1
102.05523	1.1
105.01813	1.1
105.06998	1.9
107.08571	2.1
109.02856	2.4
109.06514	2.1
109.10133	1.6
115.05502	0.9
117.03310	1.3
119.01883	0.8
119.08555	2.7
120.08090	3.4
121.02834	1.3
121.10143	3.2
123.08006	2.4
127.03900	2.6
129.10187	2.2
131.08548	1.8
132.10167	2.1
133.10123	2.1
135.08049	1.4
135.11682	0.9
136.07588	2.3
137.05907	1.2
137.09581	1.2
139.11148	1.4
145.02785	2.5
145.04970	1.7
147.11629	1.9
149.09627	2.8
151.07547	1.4
159.11739	0.9
161.02972	1.5
161.13255	1.9
163.11247	1.1
165.09116	2.3
165.12811	1.3
171.11703	2.0
177.05489	6.7
177.12773	1.0
185.16577	2.1
187.07513	1.4
189.12729	2.9
197.12917	1.2
203.05266	5.3
207.11852	1.2
207.13794	8.7
213.15996	2.0
215.13908	1.7
225.14833	8.7
231.17055	0.9
243.13452	2.6
245.05080	1.8
249.14558	3.9
261.14557	1.2
269.12381	1.3
279.30481	1.1
293.12381	2.6
311.14615	14.0
396.90842	1.1
411.19775	1.3
413.17062	1.8
473.19836	100.0
474.20297	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	475.0758
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96558	70.0
60.32548	1.7
64.61475	2.1
69.73417	11.9
69.73830	4.3
70.06563	2.4
71.95252	3.1
72.08141	2.1
72.55132	2.3
74.14911	2.1
74.97598	13.4
84.08170	2.3
84.96015	10.1
85.02848	3.3
86.97575	4.2
92.98633	2.9
97.96804	3.3
98.97575	100.0
102.97051	2.5
110.97562	14.3
114.97059	3.8
116.98607	75.2
128.98592	29.4
128.99483	3.8
131.00186	3.3
132.98058	14.3
134.99644	47.3
140.00168	2.5
143.75250	2.0
146.99640	26.1
147.00891	2.2
147.01140	1.6
149.01230	4.9
150.99123	39.8
153.00705	5.5
158.01193	2.4
158.99635	5.6
165.00673	5.3
169.00217	19.8
169.01559	4.7
170.99675	10.0
174.99136	5.6
177.00684	10.3
180.33128	1.9
181.01723	3.0
183.03244	7.4
185.01198	4.7
187.02754	2.5
189.00670	20.7
193.00162	55.7
193.01756	37.3
194.99637	2.5
195.01642	2.0
197.01183	4.3
201.04338	8.3
203.02254	7.4
205.00116	2.9
211.01164	11.6
211.02841	61.5
213.00673	4.6
216.01738	5.0
218.99667	2.4
219.01770	3.0
222.99060	5.4
223.01198	9.3
223.02939	5.6
227.02290	3.7
229.03798	4.6
234.04236	4.0
235.01117	9.2
235.02803	11.7
237.00656	7.2
237.02727	5.1
241.03830	9.0
245.03300	9.3
251.02223	17.4
253.03746	9.1
255.01743	63.3
255.04259	4.3
265.02277	6.8
269.03256	21.3
273.02774	26.3
278.03354	2.7
279.01657	25.2
287.04285	4.3
293.03397	13.6
295.01175	8.3
295.03882	4.3
297.02753	54.8
297.06116	3.8
309.02829	16.1
311.04184	10.2
313.02106	21.2
315.03821	25.6
320.04340	4.5
323.04202	3.7
327.03900	11.7
331.03357	9.3
339.03867	13.0
345.05005	3.4
350.19604	2.2
355.03275	28.3
357.05167	2.6
369.04587	2.1
373.04434	6.3
385.04568	7.6
396.06378	2.9
399.01108	3.3
399.05942	37.0
413.07199	2.2
415.05228	3.9
417.07028	6.2
440.08542	3.4
457.06976	2.4
475.07544	9.4
504.61386	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	471.2202
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03962	1.3
55.05502	1.4
66.15223	1.5
67.05490	4.4
69.03408	4.4
69.07045	3.1
70.06580	7.5
70.81660	3.8
70.82014	2.5
71.04993	1.7
79.05499	2.9
81.03413	5.1
81.07050	8.1
81.40807	1.2
83.04965	2.7
83.08616	1.6
85.02889	2.4
85.06537	4.0
86.09698	2.5
91.05463	2.3
91.64541	1.5
93.07041	6.1
95.08591	7.8
97.02877	1.6
97.06548	1.8
105.07003	3.2
107.08570	6.6
108.13353	1.3
109.02837	2.0
109.06515	1.8
109.10137	7.3
119.08575	4.3
121.06477	2.6
121.10142	9.0
123.08051	3.1
123.11672	1.7
127.03838	2.5
131.08543	2.1
133.10147	3.0
135.08067	1.7
135.11758	1.5
137.09589	4.4
139.07544	2.3
145.10109	1.7
147.11682	2.3
149.09615	3.4
159.11684	2.0
161.13318	1.4
165.09096	12.8
165.12730	2.7
173.02934	1.9
201.03822	1.4
203.05309	1.5
205.12280	1.5
208.40334	1.6
223.16890	26.9
224.07550	1.5
239.47881	1.7
249.81303	1.5
269.64899	1.6
333.07877	59.4
335.09424	30.0
339.70374	1.5
380.39920	1.6
399.28427	1.5
453.30368	1.4
453.68127	1.5
471.21976	100.0
472.22122	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	473.2013
Annotation	Unknow
Peak:m/z	Relative Intensity
51.99317	2.9
55.01846	4.3
55.05492	9.2
57.03421	5.0
58.17601	2.8
62.14827	2.9
67.05487	13.3
69.03413	15.8
69.07043	10.4
70.06579	17.6
71.04967	10.8
71.52856	6.1
72.08137	13.7
73.02876	4.8
79.05470	11.4
81.03419	17.8
81.07059	21.6
83.04961	4.8
83.08578	8.1
84.04471	4.8
84.08110	6.2
85.02898	34.1
86.09695	32.8
87.00812	11.8
87.04452	8.1
91.05451	21.3
93.07024	24.8
95.04963	13.7
95.08590	16.1
97.02861	13.8
97.06514	11.1
99.04454	15.9
105.01822	8.4
105.07014	19.4
107.08585	54.1
109.02854	17.0
109.06519	41.7
109.10143	10.0
119.08556	19.8
120.08081	7.0
121.06422	4.9
121.10134	31.0
123.08064	42.7
123.11694	16.3
125.05965	4.5
125.09623	10.9
127.03893	25.2
131.08534	8.5
132.95789	21.4
133.10094	6.6
135.11697	7.2
136.07549	4.6
137.05956	4.2
137.09633	18.8
137.13206	3.3
139.11157	9.5
144.95821	4.2
145.02843	7.2
145.04877	6.5
145.10039	8.6
147.11670	20.9
149.09608	48.1
150.96846	18.2
151.07492	10.4
161.13248	6.0
162.96933	6.1
163.11134	9.9
163.48418	3.6
165.09102	100.0
165.12723	13.1
167.10649	20.9
171.11732	5.3
174.96881	31.9
177.05455	11.6
179.14331	9.1
183.13710	3.5
189.12744	12.7
192.70288	3.5
192.97952	5.1
200.94841	5.5
201.12311	4.0
202.46411	2.9
205.12286	5.0
207.13779	54.6
216.97679	3.9
218.96030	7.3
225.14827	36.8
227.76170	3.2
229.11807	4.3
234.99030	3.5
245.18631	4.5
249.14870	6.0
260.96909	12.5
267.06723	6.0
278.97910	4.6
293.04395	3.1
473.19705	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	471.1852
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	3.5
55.01861	3.4
55.05508	6.9
57.03436	1.4
60.04479	1.4
67.05501	4.4
69.03422	14.7
69.07047	4.8
70.06582	18.1
70.92420	2.2
70.92788	3.7
71.04974	2.0
72.08157	10.7
73.02946	1.7
79.05499	6.7
81.03421	9.6
81.07034	3.4
83.04964	14.4
84.04502	6.8
84.08144	5.8
85.02898	19.0
86.09703	14.9
87.00820	5.3
87.10022	1.7
91.05462	11.7
93.07028	22.2
95.04948	13.1
95.08582	4.0
97.02866	4.3
97.06538	1.6
100.11266	2.5
102.05530	2.0
103.05478	3.9
105.01861	5.8
105.07021	11.4
107.04942	6.3
107.08578	7.4
109.02881	4.6
109.06519	5.2
111.04474	2.6
111.08070	2.9
116.07092	2.4
117.06992	9.5
119.08566	19.9
120.08089	8.4
121.06493	37.2
121.10136	8.4
123.08051	6.0
127.03925	13.1
129.06941	2.3
129.10231	3.6
131.04900	2.5
131.08560	6.6
133.02852	1.9
133.10126	6.2
135.08038	6.1
135.11658	6.3
136.07596	2.7
136.08792	2.2
137.05954	5.8
137.09615	3.7
139.07570	1.5
141.06984	1.8
143.08583	1.9
144.09335	5.2
145.04948	3.7
145.06467	3.5
145.10120	9.9
147.07994	2.5
148.26190	1.4
149.05957	61.2
149.09595	9.9
149.13205	2.1
153.66078	1.3
157.10077	2.2
159.02879	1.7
159.08115	2.2
159.11682	19.7
161.09593	9.5
163.11142	19.5
167.07030	4.9
172.08836	5.7
175.07724	1.8
175.11275	1.6
177.12720	25.4
187.11076	8.8
197.12950	1.4
201.58693	1.4
205.12219	100.0
206.12602	2.9
223.13272	76.2
227.10139	1.8
229.15228	2.4
231.04993	2.2
238.16098	4.7
238.66118	2.7
246.14946	3.7
305.44455	1.6
325.10852	2.1
351.12689	2.0
453.18427	1.6
453.33569	2.2
463.45724	1.5
471.16190	3.1
471.21945	4.6
471.28613	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.2426
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	20.9
55.05493	37.2
57.03413	16.1
61.02911	12.0
67.05499	62.2
68.99786	12.7
69.03432	52.7
69.07056	29.0
70.06573	16.4
71.04982	9.0
71.53080	8.5
76.13416	9.2
79.05488	46.5
81.03413	75.5
81.07058	71.7
83.08607	15.3
85.02901	96.4
87.00804	40.7
87.21352	8.9
91.05464	47.5
93.07044	48.6
95.04984	24.5
95.08598	89.7
97.02876	33.6
97.10206	12.0
99.04443	25.5
105.01855	22.5
105.07023	96.1
107.08601	63.9
109.02872	63.7
109.06451	13.0
109.10141	61.9
117.07014	13.3
119.08556	47.9
121.10113	71.0
123.11723	23.6
127.03883	83.9
129.01799	11.2
129.06990	19.0
131.08522	32.0
133.10121	51.1
135.08015	9.1
135.11684	25.3
143.08556	20.7
145.04919	23.1
145.10104	33.4
146.38484	9.7
146.87877	9.4
147.11668	80.7
149.13232	25.2
157.10167	20.8
159.02879	23.0
159.11647	27.0
161.13242	20.5
169.10095	19.9
171.11639	20.0
175.15004	12.5
183.11708	21.3
185.13211	13.0
199.14728	10.7
201.16330	15.9
203.17992	100.0
205.19536	14.5
213.16379	10.5
221.19012	41.7
231.04964	14.0
433.30832	25.2
451.31909	23.8
469.11032	15.9
469.23593	16.7
469.33258	74.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.2767
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	5.0
57.03426	11.2
57.06792	1.8
57.07071	33.5
67.05500	12.2
69.07063	6.1
69.19120	7.2
69.19526	2.8
71.08235	1.4
71.08627	23.9
71.49030	0.8
79.05472	0.9
81.07049	12.9
83.08604	7.1
85.10181	12.0
89.06043	1.0
93.07065	0.9
95.08601	17.3
97.10146	5.2
98.21795	0.9
98.98460	46.5
109.10156	7.3
115.93559	0.8
116.99472	1.0
123.11716	2.4
135.11813	1.1
136.99959	3.9
137.13284	1.9
140.01064	1.3
155.01031	50.8
193.02711	1.1
196.03561	1.2
207.82037	0.9
211.03654	2.2
229.04787	2.2
239.23714	6.5
313.27338	100.0
314.27713	3.2
348.96170	1.0
393.23776	3.2
449.26614	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	468.244
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02922	15.9
63.99825	20.3
67.05512	29.7
69.03425	59.1
69.07064	42.5
69.55580	39.1
69.55994	71.8
70.06584	36.8
71.04980	16.9
73.02879	23.4
79.05509	23.6
81.03413	42.9
81.07042	88.2
85.02895	100.0
86.09676	19.6
87.00822	52.8
91.05477	21.1
93.07036	85.5
95.08601	86.5
97.02895	72.5
99.04466	19.1
105.01839	57.3
105.07037	27.4
107.08592	51.7
107.24810	14.9
108.64226	15.1
109.02884	35.2
109.10159	32.0
119.08576	29.5
120.08100	15.9
121.10178	20.3
126.25600	17.0
127.03912	58.4
133.10075	26.5
135.11722	93.3
137.13254	35.7
145.04959	34.0
153.04288	14.7
153.12761	71.8
171.13774	43.5
174.07098	15.5
242.03992	20.5
295.96725	15.1
462.26752	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	469.1314
Annotation	Unknow
Peak:m/z	Relative Intensity
59.74368	0.4
64.21722	0.4
69.03407	0.7
70.54159	1.3
84.08100	0.6
85.02885	1.7
86.09683	0.6
91.05476	0.7
93.58717	0.4
95.04961	0.7
96.16872	0.5
97.02876	0.7
105.03380	0.7
109.02882	0.5
110.07190	0.5
120.73222	0.5
121.20308	0.4
123.04414	0.9
127.03860	0.6
155.07043	0.5
183.06516	1.0
203.05284	1.6
245.05103	0.8
259.07864	1.6
307.12903	0.7
347.09454	54.7
348.09784	1.3
469.13144	100.0
470.13412	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	467.2022
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05026	0.9
57.58720	1.0
59.09824	1.0
67.05492	1.8
69.03419	3.0
69.07059	4.9
70.06579	2.4
70.50976	1.5
70.51356	2.0
72.96472	0.8
79.05491	1.5
81.03397	2.4
81.07063	1.3
84.08167	1.5
85.02900	5.6
86.09688	2.0
89.58955	0.9
91.05482	10.4
93.05762	2.8
93.07014	1.1
94.06564	5.1
95.04976	1.6
97.02865	3.1
97.06509	3.0
108.08115	2.0
109.02855	1.0
110.07129	1.4
115.17642	1.1
116.04965	6.2
117.05779	2.3
118.06532	36.4
119.07352	7.7
120.08099	15.7
122.06001	10.8
124.07566	3.6
127.03878	1.2
134.06012	1.9
136.07552	2.5
138.05464	1.1
140.07060	10.4
142.08640	6.8
144.08034	1.4
145.04962	1.1
146.04836	1.6
146.06001	43.0
147.06784	16.5
148.07559	35.3
154.08655	6.6
164.07054	50.8
166.08572	1.4
174.09138	1.1
180.10194	1.2
184.11086	1.1
186.09152	0.9
188.10634	1.1
189.11481	2.8
196.11195	1.9
198.12811	1.9
199.09940	1.9
200.07095	1.0
200.10828	1.0
214.12262	5.8
216.10182	1.2
224.10724	2.5
226.12256	4.1
228.10170	1.4
228.12523	1.3
241.13313	5.2
242.08092	1.5
242.11757	22.1
243.14905	25.7
254.10515	1.4
259.14371	4.0
261.16000	2.5
269.12802	17.8
270.08939	0.7
270.11212	30.1
287.13879	100.0
288.14133	2.8
290.10156	4.4
305.14926	53.5
306.15421	1.4
308.11356	4.9
315.61124	1.2
424.23312	1.0
431.18152	1.6
449.19370	9.7
461.16675	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.1248
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96559	5.2
62.51373	1.2
69.03427	2.5
69.38736	2.5
69.39145	9.1
70.06562	1.4
74.84958	1.4
82.99857	2.4
84.08120	2.1
85.02882	3.0
97.70692	1.2
98.97579	5.6
101.00864	9.7
113.00887	3.2
114.00551	1.2
115.02435	1.7
116.98619	5.5
119.01913	33.6
119.05006	1.9
127.03918	1.3
128.98586	2.4
129.04089	2.2
131.01906	16.4
131.05588	7.6
133.03473	3.8
134.40508	1.2
134.99628	1.8
136.06171	1.4
136.07556	1.9
137.02966	5.5
143.01888	52.0
145.03491	9.3
147.05077	3.4
149.02948	3.1
149.06631	9.8
152.24683	1.5
155.01907	13.0
156.02748	2.6
157.03471	5.6
159.05005	3.8
161.02950	100.0
162.03072	2.2
163.04405	1.7
167.35986	1.5
171.05028	2.3
173.02959	26.8
173.06593	22.6
175.02927	1.2
175.04488	3.2
177.00645	2.2
177.06068	3.3
184.04568	4.9
184.56805	1.7
185.02966	2.7
185.06593	23.0
187.04584	1.8
187.08147	5.8
191.07565	7.6
197.02992	1.8
199.08157	3.4
201.06030	2.4
203.04016	6.4
203.07677	14.8
207.01653	1.5
212.02246	1.6
215.07599	10.2
217.09186	2.2
221.05070	15.4
227.07706	2.2
229.88292	1.4
233.08762	4.1
237.02798	3.6
245.05121	3.7
248.47849	1.6
257.08771	4.1
259.06601	2.2
263.06091	2.0
275.09781	22.8
278.96957	1.6
279.03406	1.4
293.07443	3.6
293.10791	70.9
294.10974	2.8
305.07031	1.7
316.12543	2.4
324.14090	1.7
335.11819	2.4
361.13202	2.3
363.11481	6.6
405.12387	4.0
431.10330	12.1
449.11349	36.6
450.11569	3.0
467.12424	42.7
468.02112	1.5
468.12628	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	466.2644
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.4
55.01861	1.6
55.05500	0.9
57.03434	3.3
57.07068	1.1
58.73507	0.4
61.02918	2.4
67.05495	3.8
69.03423	6.9
69.07055	2.7
71.01350	0.9
71.19992	0.7
73.02507	0.6
73.02912	11.2
73.61433	0.3
76.69090	0.4
79.05486	6.5
81.03408	1.1
81.07047	100.0
82.07386	1.0
85.02896	19.7
87.04448	0.7
89.34211	0.4
91.03957	0.8
93.07032	1.2
95.08597	15.6
97.02885	12.0
97.03526	0.5
99.04452	0.9
100.40073	0.4
103.03961	1.1
105.07013	0.5
105.48190	0.3
106.43952	0.3
107.08574	0.4
109.02882	1.5
109.10164	1.0
109.40823	0.4
115.03918	6.1
127.03897	7.7
127.04802	0.5
133.04955	10.7
137.13242	24.9
145.04941	10.1
150.07584	0.9
154.15977	0.5
155.83696	0.3
163.06007	6.3
189.65979	0.4
223.05914	1.8
241.07001	3.0
259.08084	3.3
277.09198	1.0
295.10172	1.7
299.65247	0.4
406.91217	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	466.1917
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	0.5
55.05511	0.6
56.05019	0.4
57.03413	0.4
61.02901	0.4
68.14954	0.3
69.03411	1.2
69.07057	0.4
70.06567	1.2
70.50790	0.5
70.51144	1.3
72.08129	0.5
79.05490	3.8
80.05003	1.2
81.05799	3.7
81.07059	2.2
82.06577	0.4
83.06118	0.4
84.04493	0.6
84.08135	1.5
85.02907	2.6
86.09690	0.4
90.95496	0.4
94.06577	0.8
95.04991	0.4
96.08121	15.6
97.02852	0.6
106.06533	2.1
107.04960	0.5
119.15450	0.4
120.08088	2.4
124.07581	100.0
125.05974	1.6
125.07902	1.3
127.03911	0.7
129.10251	0.6
136.07523	0.4
141.06573	0.4
142.08650	1.0
145.04915	0.5
197.10457	0.6
199.08434	0.5
207.08707	1.0
211.12294	0.5
216.11324	2.9
221.10475	0.4
224.09357	0.4
234.12329	2.6
239.11530	0.8
240.12126	1.3
267.11337	1.5
268.11603	3.5
285.12332	1.6
286.12729	3.9
287.25143	0.4
303.13394	1.9
304.13696	5.0
363.16562	2.6
466.73373	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	466.228
Annotation	Unknow
Peak:m/z	Relative Intensity
51.75473	0.9
53.03929	3.9
55.01873	6.0
55.02104	1.3
55.05508	5.2
57.03434	4.7
57.07072	2.6
58.42585	0.9
61.02908	3.7
65.95021	0.9
67.05500	15.2
68.06757	0.9
68.99782	1.6
69.03086	1.7
69.03426	19.0
69.07061	10.7
70.06598	2.3
70.43481	3.4
71.04986	6.0
73.02907	2.8
79.05490	2.5
81.03407	14.7
81.07050	24.5
83.04945	2.6
83.08620	1.4
85.02899	45.8
85.06534	8.3
86.09699	2.6
87.00826	19.8
91.05460	3.8
93.07027	8.2
95.04959	1.9
95.08596	31.8
95.09183	2.2
97.02890	15.5
97.10152	1.5
99.04442	9.9
99.08101	1.7
105.01864	18.7
105.07024	16.5
107.08579	22.2
109.02865	16.6
109.06504	4.3
109.10149	36.5
111.08019	1.1
113.05985	8.1
117.01858	1.9
119.08565	5.8
121.10137	4.9
123.08076	2.5
123.11671	5.2
125.09608	22.0
127.03905	23.6
127.07549	6.0
129.01889	1.6
137.09569	0.9
137.13232	19.0
137.39302	1.1
145.04953	6.0
147.02927	1.2
147.11671	24.3
159.02876	3.8
163.11211	1.2
165.12738	47.8
171.02902	1.2
175.11182	1.3
183.13794	100.0
201.14798	8.1
201.16045	0.8
211.13237	2.6
213.03865	2.5
215.18216	1.0
231.04964	6.4
273.14856	1.7
291.16013	2.7
301.10559	1.5
304.05469	1.3
318.69284	1.0
351.18002	1.5
395.17059	1.1
413.17664	1.1
467.18576	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	465.261
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	9.1
55.05509	22.5
55.62656	1.3
57.03440	8.0
57.07065	8.4
67.05504	9.2
69.07066	26.9
71.08613	5.2
73.02911	6.8
79.05471	4.0
81.07061	12.0
81.63937	1.4
83.08614	19.2
85.10136	2.8
93.07029	6.9
95.08588	7.7
97.06534	1.4
97.10172	13.0
98.19058	1.3
98.98461	57.0
107.08604	3.3
109.10178	1.5
111.11709	3.9
121.10148	6.5
123.11739	1.6
129.05458	2.2
135.11682	3.9
137.00014	1.9
140.00859	1.6
155.01028	42.4
211.03658	2.2
229.36008	1.8
237.22124	9.4
303.05008	1.4
311.25778	100.0
312.26044	2.5
447.25046	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	465.1863
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.7
55.01862	0.4
55.04582	0.3
57.03425	0.7
60.04486	0.3
61.02925	1.8
61.39135	0.3
69.03431	5.8
69.75829	0.8
69.76243	1.6
70.06596	0.8
71.04993	0.8
71.72474	0.3
72.08148	0.7
73.02908	1.0
77.41999	0.3
81.03393	1.7
84.04522	0.4
84.08157	0.5
85.02896	8.3
86.09699	0.5
87.04460	0.9
94.06580	0.9
97.02886	3.7
98.20847	0.7
99.04443	0.4
103.68771	0.3
104.05337	0.5
108.08084	0.4
109.02877	1.3
112.02108	0.3
113.05993	0.4
113.40403	0.3
120.08067	0.4
122.06027	0.9
127.03908	2.0
134.05945	0.5
136.07584	0.9
141.05424	0.9
145.04903	0.6
145.07567	0.4
148.07597	0.5
154.06567	0.4
155.07155	0.4
164.05016	0.3
168.08092	0.7
169.08865	0.7
170.08327	0.6
170.09648	0.7
173.07106	0.6
181.07457	0.5
181.08868	1.2
182.08247	0.5
182.09650	1.3
183.09142	1.1
184.11229	1.0
185.07031	0.6
194.09669	2.8
195.05472	0.8
195.09070	2.7
196.09911	9.9
197.08954	0.6
197.10593	3.5
198.07793	0.9
199.08540	0.6
205.07661	0.4
206.08376	22.4
207.08723	1.2
209.07076	2.2
209.10744	1.4
210.07840	0.9
210.11513	1.8
211.08833	1.8
211.12273	10.9
212.09325	1.0
212.10988	0.5
213.10204	1.3
219.09056	0.5
220.09930	4.1
221.10733	10.3
221.12923	0.6
222.09169	0.5
223.08638	7.1
224.07237	0.6
224.09421	10.6
225.10098	1.6
226.10951	1.2
227.08150	3.7
227.11774	0.8
228.08807	0.6
229.13420	0.5
234.98985	0.7
237.10202	3.9
238.10986	8.8
239.08307	2.1
239.11769	27.1
240.10181	0.8
240.12277	0.8
241.09723	2.7
241.13295	0.4
243.11461	0.4
249.09975	0.4
252.08974	1.8
254.10478	1.6
257.12900	3.6
258.11099	0.5
267.11273	63.5
268.09167	0.5
268.11880	1.8
271.10773	1.3
272.11526	5.8
273.12244	0.5
285.12317	70.6
286.12750	2.4
287.13892	1.1
303.05142	1.8
303.13367	100.0
304.13766	2.6
305.14758	0.4
398.53391	0.4
399.15335	0.6
447.17554	0.7
465.19308	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1864
Annotation	Unknow
Peak:m/z	Relative Intensity
51.18231	1.0
55.01858	1.1
55.69017	0.8
69.03406	3.6
69.07027	1.1
70.04637	0.8
70.06586	2.6
71.04982	1.2
71.27893	1.9
72.08143	3.3
81.03377	1.4
85.02909	1.4
86.09696	2.7
94.06567	2.1
97.02859	1.3
106.06573	1.8
107.08597	1.3
108.04477	1.1
110.05943	1.0
111.35268	1.0
120.07365	1.1
120.08099	4.6
122.06036	2.4
134.05980	2.6
136.07495	2.1
140.07079	2.6
146.05992	2.7
147.06821	1.2
148.07538	4.7
152.07031	2.7
153.01817	1.2
160.07568	2.0
162.05528	1.9
168.06561	2.6
174.07884	2.4
175.08672	2.2
176.07045	2.3
178.08670	1.6
186.09152	1.5
187.08505	1.9
188.07135	1.1
194.08113	3.9
197.10658	1.1
198.09119	1.6
199.08699	4.0
200.09320	1.4
201.10255	5.8
211.12407	0.9
212.10832	1.3
213.10069	5.1
214.08643	2.9
214.10989	3.0
215.08252	1.1
215.11765	5.5
225.10257	2.3
226.08675	1.3
226.10909	1.0
227.08183	2.5
227.11798	7.1
228.12589	1.4
229.09706	5.1
229.13333	2.9
230.10344	1.5
232.09618	1.0
235.07472	1.0
239.11763	2.9
239.46526	1.0
241.09772	4.0
241.13326	1.2
242.10445	1.8
243.11319	3.2
247.14481	1.1
251.11749	1.5
253.13411	1.2
255.11266	9.9
256.12009	1.1
257.12857	3.5
267.11368	2.1
269.09552	1.0
269.12866	6.4
270.13541	1.4
271.10855	1.3
273.12338	3.1
274.13031	1.4
275.13947	2.0
279.11517	1.1
281.12964	3.3
283.10870	2.1
285.12326	4.0
287.10666	1.9
287.13666	5.5
289.15506	1.4
297.12265	6.5
298.13132	1.4
299.13864	12.8
301.11841	3.0
302.12610	2.8
303.04916	6.6
303.13397	8.4
309.12433	2.1
313.11844	1.7
313.15460	1.2
315.13370	30.7
316.14120	19.5
317.14688	3.9
325.11841	1.5
327.13388	1.5
337.11557	1.3
337.15463	1.4
339.13388	1.8
341.14954	1.6
343.12802	5.3
345.14471	1.4
355.16647	2.1
357.14441	2.7
365.15045	1.6
369.14685	1.5
373.13623	1.4
375.15482	12.0
383.15988	5.2
387.15579	3.2
393.14450	3.8
399.15518	16.0
399.50229	1.1
401.17108	2.8
411.15405	11.4
419.18134	2.4
429.16537	37.2
447.17590	74.3
448.17746	4.7
465.18661	100.0
466.19171	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	465.1026
Annotation	quercetin-3-O-beta-glucopyranoside
Peak:m/z	Relative Intensity
50.65432	0.1
50.94750	0.1
55.01863	0.2
56.05016	0.1
57.03423	0.2
61.02921	0.2
65.03915	0.3
67.05509	0.2
68.99780	0.6
69.03426	0.7
69.07024	0.1
70.06598	0.6
71.04972	0.1
71.52498	0.2
72.08151	0.5
79.05450	0.1
81.03400	0.6
81.07057	0.1
84.04482	0.2
84.08129	0.2
85.02895	1.8
85.31339	0.1
86.09688	0.4
87.04442	0.2
91.05470	0.1
93.03369	0.4
95.04955	0.4
97.02866	0.6
103.03925	0.1
105.07003	0.2
107.04935	0.2
107.08589	0.1
109.02861	0.6
109.10143	0.1
110.06067	0.1
110.07124	0.1
111.00795	1.3
119.04897	0.1
120.08060	0.3
120.83879	0.1
121.02874	1.2
122.06009	0.1
123.04411	0.4
127.03905	0.5
129.07040	0.1
129.10251	0.2
130.06508	0.3
133.06520	0.1
135.04440	0.1
136.07486	0.3
137.02327	3.9
145.02774	0.2
145.04958	0.2
145.06479	0.2
148.07495	0.1
148.90637	0.1
149.02313	0.6
152.07065	0.1
153.01816	4.4
155.04903	0.3
157.07593	0.7
158.07959	0.3
160.07578	0.1
161.05943	0.3
163.03880	0.7
164.07158	0.1
165.01826	2.2
166.02554	0.3
173.06000	0.5
176.06946	0.1
177.05438	0.3
179.03281	0.1
183.02879	1.0
183.04312	0.2
187.03877	0.4
191.03439	0.2
195.02901	0.3
201.05460	2.0
201.10190	0.2
205.04959	0.2
206.72508	0.1
207.02849	0.2
211.03972	0.2
213.05437	0.2
213.10191	0.2
214.08632	0.1
215.11769	0.2
217.04817	0.1
219.02925	0.2
219.06572	0.4
227.11830	0.3
228.04178	0.4
229.04944	5.3
229.09613	0.2
229.13564	0.1
230.05408	0.1
239.03423	0.1
243.11295	0.2
247.05998	0.8
253.13287	0.3
255.11234	0.5
257.04428	3.0
257.14893	0.2
269.12787	0.3
273.12418	0.1
274.04715	1.1
275.05457	0.4
284.14005	0.3
285.03915	1.4
285.14261	0.4
286.04645	0.1
287.13718	0.2
297.12067	0.3
299.13898	0.5
301.11890	0.1
302.04242	0.2
303.04953	100.0
304.05289	2.3
315.13324	1.4
316.14102	0.8
317.14941	0.2
345.05887	0.1
375.15546	0.2
383.15762	0.1
387.15457	0.4
399.15356	0.8
411.15317	0.3
429.16458	1.2
447.17584	2.2
465.10242	1.8
465.18564	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	465.1867
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01844	0.5
56.49443	0.2
57.03402	0.5
60.04504	0.2
61.02901	0.4
62.22456	0.2
65.03914	0.5
67.05473	0.3
67.14867	0.2
68.99760	0.7
69.03419	1.4
69.07034	0.3
70.06271	0.2
70.06580	2.1
72.08118	0.9
73.02907	0.4
79.05425	0.3
81.03372	0.7
81.07001	0.2
84.04456	0.3
84.08115	0.3
85.02895	3.7
86.03197	0.2
86.09702	1.0
91.03927	0.3
93.03378	0.4
94.06547	0.2
95.04937	0.6
97.02894	1.6
98.20784	0.5
105.03359	0.5
105.07027	3.2
106.06628	0.3
106.07345	2.0
109.02853	1.0
110.07151	0.4
111.00792	1.1
118.06535	0.2
119.08652	0.2
120.08088	1.0
121.02833	1.2
122.05980	0.4
123.04383	0.3
127.03893	1.1
131.04913	0.3
132.08060	0.4
134.06013	0.5
136.07576	0.4
137.02348	3.5
140.07025	0.5
145.04912	0.6
145.06470	0.2
148.07539	0.8
149.02293	0.6
150.05539	0.2
152.07034	0.4
153.01830	4.8
155.04918	0.4
160.07568	0.3
161.04581	0.2
161.05913	0.3
163.03835	0.5
164.07152	0.3
165.01834	2.2
166.02524	0.3
166.08698	0.2
168.06534	0.3
173.05923	0.8
174.07867	0.4
175.08611	0.3
176.07013	0.4
183.02834	0.9
183.04263	0.3
186.09087	0.3
187.03937	0.3
191.03421	0.2
194.08047	0.8
197.10580	0.2
199.08600	0.6
200.09328	0.4
201.05396	2.1
201.10185	0.7
206.08318	0.6
207.02928	0.3
211.12389	0.4
213.10168	0.6
214.08688	0.5
214.10880	0.6
215.08064	0.3
215.11789	1.1
221.10892	0.3
225.10243	0.4
226.08676	0.4
227.08127	0.5
227.11725	1.2
228.04065	0.3
228.12416	0.3
229.02834	0.2
229.04936	5.3
229.09627	0.6
229.13347	0.5
230.05278	0.3
230.10410	0.2
238.10980	0.3
239.11772	1.2
241.09702	0.8
241.13068	0.3
242.10426	0.4
243.08842	0.3
243.11212	0.6
244.09480	0.4
247.05963	0.8
250.10663	0.4
253.09647	0.2
253.13345	0.4
255.11241	2.0
256.12054	0.3
257.04434	2.8
257.12891	0.7
267.11273	1.5
269.12842	0.9
273.12250	0.4
274.04846	1.0
274.13083	0.3
281.12872	0.5
283.10678	0.5
285.03983	1.3
285.12302	1.9
287.10730	0.3
287.13907	1.3
297.12357	1.2
298.13217	0.4
299.13864	2.5
301.11777	0.4
302.12680	0.4
303.04956	100.0
303.13321	2.8
304.05270	5.0
309.12054	0.3
315.13354	8.3
316.14084	3.4
317.14731	0.9
327.13287	0.3
329.14679	0.2
343.12769	0.7
345.14545	0.6
355.12613	0.2
355.16550	0.4
369.14331	0.5
370.40723	0.2
375.15656	1.4
383.16028	0.6
387.15570	0.9
393.14490	0.3
399.15509	2.5
401.17166	0.3
411.15472	1.4
429.16562	5.5
447.17590	10.8
448.17712	0.5
465.10461	1.8
465.18634	14.1
466.19067	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1029
Annotation	Quercetin-3-O-beta-D-galactoside
Peak:m/z	Relative Intensity
50.42302	0.1
50.53894	0.1
51.09520	0.1
53.03929	0.1
55.01863	0.3
56.05025	0.1
57.03419	0.2
61.02896	0.2
61.46954	0.1
65.03931	0.2
65.78697	0.1
67.01870	0.1
67.05495	0.1
68.99783	0.8
69.03422	0.9
69.07046	0.1
70.06591	0.8
71.01336	0.1
71.04953	0.1
71.52974	0.1
72.08160	0.5
74.06068	0.1
79.05496	0.1
81.03392	0.6
81.07034	0.1
84.04484	0.3
84.08135	0.5
85.02892	1.6
86.09206	0.1
86.09701	0.8
87.04425	0.1
91.03958	0.1
91.05475	0.2
93.03392	0.3
95.01312	0.1
95.04951	0.5
95.08602	0.1
97.02897	0.6
98.21329	0.1
99.04437	0.1
103.03893	0.1
104.05326	0.1
105.03399	0.1
105.07030	0.2
108.04423	0.1
109.02859	0.7
109.10162	0.1
110.07147	0.2
111.00787	1.1
111.04423	0.1
118.06480	0.1
119.04916	0.1
119.08467	0.1
120.08076	0.5
121.02855	1.4
122.06050	0.1
123.04415	0.5
127.03902	0.6
129.10220	0.1
130.06500	0.1
131.04924	0.2
131.06776	0.1
132.08116	0.1
134.06010	0.2
135.04379	0.2
136.07579	0.2
137.02322	3.6
140.07060	0.1
140.79745	0.1
145.02791	0.1
145.04916	0.3
145.06429	0.3
146.06000	0.2
147.04318	0.1
148.07581	0.3
149.02280	0.6
152.07057	0.1
153.01808	4.7
155.04871	0.2
157.06470	0.2
157.07588	0.4
158.07959	0.2
159.04446	0.1
161.05919	0.5
163.03905	0.7
165.01833	2.4
166.02602	0.3
168.06575	0.2
168.60045	0.1
171.02971	0.1
173.05957	0.6
174.07826	0.2
175.08702	0.1
176.06982	0.1
177.01805	0.2
177.05455	0.2
179.03395	0.1
183.02856	0.9
183.04395	0.4
186.09300	0.1
187.03870	0.3
191.03395	0.2
191.06990	0.1
193.08366	0.1
194.08067	0.2
195.02863	0.3
199.08675	0.1
201.05438	2.2
201.07196	0.2
201.10210	0.3
205.04881	0.1
206.08202	0.1
207.02832	0.1
211.03911	0.1
213.05519	0.2
213.10245	0.2
214.08699	0.2
215.03354	0.1
215.11714	0.3
219.02919	0.2
219.06482	0.3
224.09370	0.1
225.10362	0.1
226.08673	0.1
226.10776	0.1
227.08054	0.1
227.11845	0.2
228.04124	0.3
229.04930	5.3
229.09685	0.2
229.13300	0.2
233.04471	0.1
239.03439	0.2
239.11804	0.2
241.09660	0.2
242.10423	0.2
243.11247	0.2
246.05261	0.1
247.06027	0.9
253.13176	0.1
255.11267	0.6
257.04401	3.2
257.12665	0.1
257.14929	0.1
267.11252	0.2
269.12793	0.3
273.12268	0.1
274.04700	0.8
275.05423	0.3
275.13971	0.1
283.10803	0.1
284.13922	0.3
285.03876	1.6
285.11896	0.2
285.14508	0.3
287.13806	0.4
297.12329	0.4
298.13123	0.1
299.13828	0.6
301.11853	0.1
302.04062	0.1
302.12463	0.2
303.04950	100.0
304.05234	1.6
315.13330	2.2
316.14069	1.0
317.15012	0.2
327.13232	0.1
337.70480	0.1
341.14575	0.1
343.13123	0.1
345.05954	0.2
345.14270	0.2
357.14941	0.1
365.14767	0.1
375.15491	0.4
381.38684	0.1
387.15466	0.3
393.14706	0.1
399.15417	0.9
401.17218	0.1
411.15399	0.5
429.16586	1.3
447.17642	3.4
465.10236	1.8
465.18561	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	465.1026
Annotation	quercetin-3-O-beta-glucopyranoside
Peak:m/z	Relative Intensity
51.96461	0.2
53.03925	0.8
54.52379	0.2
55.01848	0.9
55.05485	0.7
56.05036	0.3
57.03428	1.5
59.05002	0.2
61.02922	2.7
65.44974	0.2
67.05485	1.1
68.91012	0.2
68.99773	0.8
69.03423	8.1
69.07044	0.6
70.06588	1.5
71.01356	0.4
71.04961	0.8
71.52833	0.5
71.53202	0.4
73.02918	1.2
79.05473	0.7
81.03419	2.9
81.07052	1.3
83.04966	0.3
84.08145	0.4
85.02897	18.7
86.09719	0.6
87.04472	1.6
91.03924	1.0
91.05466	0.6
93.03381	0.5
93.07018	0.9
95.04958	0.7
95.08591	1.0
97.02885	5.6
99.04446	1.2
101.02356	0.3
103.03912	0.9
105.07021	1.0
106.07314	0.3
107.08565	0.8
109.02850	2.2
109.10148	1.0
110.98267	0.2
111.00791	1.1
115.03904	0.4
119.08580	0.9
120.08126	0.6
121.02847	1.3
121.06485	0.4
121.10130	0.8
123.04437	0.4
123.08086	0.4
123.11697	0.3
127.03910	4.3
131.23972	0.3
133.10115	0.8
135.11685	0.4
137.02328	3.8
137.05943	0.6
137.09598	0.4
145.04933	2.5
145.06129	0.4
145.06461	0.4
145.10121	0.8
147.11670	0.5
149.02336	0.6
149.09531	0.3
153.01811	5.8
159.11659	0.4
161.05891	0.3
163.03862	0.9
165.01845	2.6
166.02571	0.3
173.06036	0.4
183.02846	1.2
183.04327	0.3
185.13289	0.3
189.16429	0.3
195.02870	0.3
199.14766	0.4
201.05409	2.1
203.03325	0.3
219.06577	0.3
229.04955	5.5
239.03482	0.3
243.02628	0.3
245.04417	0.4
247.05981	1.0
257.04428	3.5
273.03845	0.4
274.02002	0.3
274.04700	1.4
275.05350	0.3
285.03949	1.9
285.12338	0.5
286.04517	0.3
301.03326	0.3
302.04211	1.0
303.04956	100.0
304.05145	2.0
327.04913	0.4
345.06134	1.4
357.06146	0.3
423.38513	0.3
465.10532	2.0
465.17001	0.3
465.18951	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.123
Annotation	Isorhamnetin 3-rhamnoside
Peak:m/z	Relative Intensity
51.00208	0.3
53.03934	0.5
55.01853	0.5
55.05509	0.5
56.05009	0.7
57.03431	4.1
59.04981	0.5
67.05481	1.0
69.03415	1.1
70.06575	0.9
70.78138	1.4
71.04986	27.4
72.08141	0.6
73.02889	0.6
75.04465	0.6
81.07041	0.6
83.04951	0.8
85.02897	25.5
86.09650	0.9
87.04447	0.6
92.02617	1.1
93.03372	1.0
102.17434	0.4
107.08575	0.6
111.04472	0.6
116.98446	0.7
118.50901	0.4
120.08088	0.4
121.02855	0.9
121.10160	0.5
126.03076	0.5
129.05469	6.5
131.00012	1.5
139.03888	0.8
140.98442	0.6
143.00000	0.7
145.01569	0.6
147.06567	0.8
151.03896	0.9
153.01807	6.5
154.99992	0.6
174.98987	0.6
185.01102	0.8
187.02611	1.4
189.00565	2.0
201.00568	0.5
201.05458	0.9
203.01999	2.0
217.05042	1.1
218.05710	0.6
228.04184	1.6
229.05008	2.7
242.04462	2.2
245.04448	1.5
246.05173	1.2
257.04562	2.2
273.03958	1.5
274.04697	3.8
285.03900	4.9
289.59213	0.5
301.06390	1.6
302.04187	10.1
317.06525	100.0
318.06943	2.2
319.06757	0.5
329.06256	0.8
341.06604	0.7
359.07663	1.4
409.09433	0.6
427.10135	0.6
463.11075	6.0
482.86646	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	464.176
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02345	0.8
51.83915	0.7
53.03936	3.3
55.01868	2.7
56.78318	0.7
57.03432	6.5
61.02919	9.5
63.12224	0.8
69.03422	18.2
69.42400	7.4
71.04983	3.0
71.05916	0.7
73.02898	3.8
75.37428	0.7
79.05489	2.4
81.03419	6.2
85.02897	100.0
86.03225	1.3
86.98351	0.9
87.04469	1.7
91.03967	6.0
91.95664	0.9
95.04940	1.4
97.02885	27.3
99.04443	4.9
101.02367	1.0
103.03909	0.9
105.03384	32.9
109.02868	8.8
116.76594	0.8
123.04407	9.6
127.03902	26.9
137.52144	0.8
144.06577	3.3
144.95464	0.8
145.04942	54.5
162.07593	1.3
163.05998	21.9
180.08641	1.0
184.14716	1.0
231.06589	1.6
249.07523	1.8
252.92778	0.8
267.08585	9.6
267.11157	0.9
271.08142	0.8
285.09656	1.0
299.63763	0.9
325.11523	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1022
Annotation	quercetin-3-O-beta-glucopyranoside
Peak:m/z	Relative Intensity
53.52782	0.4
55.01855	0.7
57.03425	0.6
61.02922	3.1
68.99791	0.8
69.03413	2.8
69.99304	1.9
69.99714	0.6
70.22026	0.5
73.02905	0.8
81.03407	1.4
85.02437	0.5
85.02903	7.4
91.03953	1.1
97.02893	2.7
98.59044	0.4
99.04430	0.6
107.98833	0.4
109.02859	1.2
111.00817	0.8
121.02869	1.2
127.03922	1.7
137.02328	4.2
145.04895	1.2
149.02356	0.5
153.01823	4.9
163.03862	0.9
165.01805	2.4
173.06017	0.8
183.02922	0.8
201.05461	2.3
219.06609	0.5
229.04968	5.4
238.16080	0.7
238.66191	1.1
247.06047	1.0
257.04437	3.8
274.04672	1.2
285.03964	1.5
303.04968	100.0
304.05392	3.0
423.37100	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	462.2328
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	1.1
55.05504	0.8
57.03433	2.7
59.08220	0.4
61.02920	2.3
67.05482	1.0
69.03419	4.4
69.07050	0.5
69.64834	1.4
69.65259	1.2
70.06574	1.0
71.01347	0.9
73.02908	14.8
75.04438	0.4
79.05491	0.9
81.03409	0.7
81.07056	1.1
85.02895	9.5
85.06551	0.5
86.09683	0.9
87.04472	0.6
91.03957	0.4
91.05469	3.9
93.07035	1.3
95.04916	0.5
95.08611	0.9
97.02883	7.4
99.04482	0.5
100.11243	0.8
103.03930	0.5
103.05442	0.8
105.07024	20.7
106.07357	0.5
107.08606	0.7
109.02898	0.4
109.10177	0.4
111.04455	0.5
115.03909	3.9
115.05431	0.7
117.07028	1.5
118.07794	1.4
119.08572	0.7
121.06452	0.6
121.10125	0.7
127.03911	3.4
129.06990	0.9
131.08554	3.7
133.04982	4.4
133.10117	100.0
134.10454	1.6
145.04950	4.2
145.06467	0.7
147.11678	2.9
150.07568	1.0
151.07535	0.6
157.06360	0.7
159.11653	0.5
162.06261	0.4
163.05986	0.7
171.11671	0.6
173.13264	0.4
175.11188	2.4
179.58971	0.4
187.07516	0.5
187.11180	1.5
199.11157	1.5
201.12833	0.6
217.12206	0.8
223.06073	0.8
229.12228	1.6
241.07216	0.9
247.13269	3.1
259.08160	0.8
259.13318	0.4
301.07047	0.6
317.06567	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	462.2329
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01841	1.5
55.05491	3.2
55.31221	0.9
57.03431	15.3
59.04998	2.4
60.04506	1.7
61.02911	3.0
67.05474	1.5
69.03423	43.0
69.07033	1.8
70.06568	4.5
71.01348	0.9
71.26361	1.2
71.26681	1.6
72.08147	1.0
73.02910	8.1
74.94205	1.0
75.04464	2.8
79.05476	1.8
81.03400	3.8
81.07041	3.8
82.07339	1.0
84.08147	1.1
85.02898	47.0
86.09676	3.7
87.04462	31.0
91.05438	2.5
93.07027	2.3
95.04903	1.2
95.08609	1.4
97.02884	44.5
99.04441	2.8
100.11243	4.3
103.05444	1.2
105.07021	70.6
107.08570	1.0
109.02869	1.7
109.10113	1.4
110.07167	1.5
111.04413	2.0
115.03922	44.7
119.08570	2.0
120.08104	1.5
121.10105	1.2
127.03903	8.6
131.08580	2.5
133.03922	1.4
133.04956	41.3
133.10118	100.0
133.72920	1.0
134.10466	2.5
135.11684	2.0
143.08493	1.3
145.04938	8.8
145.10103	2.5
149.09563	1.7
150.07591	8.3
151.07513	1.4
153.71461	1.3
157.10081	3.4
161.09584	2.1
163.05989	2.3
165.09109	2.7
169.04970	1.6
169.10098	1.3
173.09619	2.5
175.11137	2.0
182.15332	1.3
192.44403	0.9
197.04410	3.2
210.14897	2.3
229.12161	2.3
241.06958	2.9
247.13278	3.8
259.08041	2.9
277.09103	1.6
286.04639	5.2
295.10229	1.5
301.07108	11.4
301.10406	2.0
317.06613	1.2
360.88010	1.1
389.81281	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	462.2327
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05031	2.1
57.03421	5.8
61.42209	1.8
67.05492	2.0
69.03407	6.4
69.07056	4.0
69.79951	10.8
70.06574	8.8
71.04606	2.2
71.04981	26.2
72.08147	3.3
79.05502	2.7
81.03391	5.4
81.07046	5.6
81.38653	1.7
84.08137	5.0
85.02898	35.9
86.09689	6.1
87.00813	2.4
91.05465	3.4
93.07034	7.8
95.08646	3.8
97.02849	2.1
98.20864	2.6
105.01861	2.3
105.07021	4.0
105.09924	1.9
107.08562	6.9
109.02898	2.2
110.07169	3.7
111.08125	1.9
120.08092	4.7
123.08072	2.0
127.03893	6.8
129.05434	4.5
133.10124	6.5
135.11691	4.7
138.09134	2.3
145.04933	2.2
153.01820	6.2
178.12228	2.1
179.10596	2.7
196.13417	1.9
196.17084	2.7
196.75348	2.7
214.14384	5.7
229.04936	2.2
246.04994	2.2
257.04599	4.0
273.03714	1.9
285.03928	5.1
302.04208	9.8
315.13794	2.5
317.06512	100.0
366.55875	2.3
392.84760	1.8
427.10300	2.6
462.10571	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.1229
Annotation	Kaempferide 3-galactoside
Peak:m/z	Relative Intensity
51.41340	0.2
55.01820	0.2
55.05492	0.5
57.03419	0.2
63.77840	0.2
67.05460	0.5
69.03403	0.4
69.07049	0.6
69.40532	1.3
69.40939	0.4
70.06564	0.9
71.04984	0.2
72.08154	0.3
79.05486	0.3
80.98784	0.3
81.03379	0.3
81.07045	1.0
82.61105	0.2
83.04948	0.2
84.08115	0.4
85.02881	0.6
86.09696	2.8
91.05467	0.5
93.07009	0.7
94.04150	0.5
94.37211	0.2
95.08562	0.7
100.07593	0.2
100.11194	0.4
105.06989	0.6
107.08562	0.4
109.02848	0.4
109.06486	0.3
109.10094	0.4
113.30366	0.2
119.08566	0.4
120.08068	0.6
121.02817	1.5
121.10110	0.3
127.03906	0.3
129.10214	0.3
130.05057	0.2
131.08540	0.2
133.10095	0.6
135.08054	0.3
137.02306	0.3
137.05927	0.5
137.09558	0.3
137.67871	0.2
143.47919	0.2
145.10094	0.4
147.11612	0.3
151.07524	0.6
153.01807	0.3
157.10037	0.3
159.11618	0.2
167.07019	1.0
177.09096	0.2
182.15413	0.2
184.05188	0.6
185.12904	0.3
188.04662	0.7
193.01323	0.3
197.13359	0.2
210.01572	0.4
210.03448	0.2
210.14966	0.3
212.04654	0.8
213.05461	0.8
229.04962	1.3
240.04123	0.5
241.04947	0.5
257.04434	0.7
258.05222	6.5
259.05579	0.3
269.04495	0.4
279.17001	0.4
285.03912	14.8
286.04688	54.3
287.05106	1.2
301.07034	100.0
302.07376	1.7
463.12161	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	462.233
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.3
55.01878	1.5
55.05496	3.1
57.03430	15.9
59.04984	1.5
60.04509	2.0
61.02910	2.9
62.32426	0.9
67.05492	1.0
69.03423	44.7
69.07056	0.9
69.42639	0.9
69.97198	0.9
70.06595	4.3
71.01332	1.4
71.52451	1.4
72.08130	1.3
73.02908	10.8
75.04461	1.1
79.05450	2.3
81.03404	2.6
81.07042	3.2
83.04977	1.2
83.08608	1.5
84.08125	1.2
85.02898	44.6
86.09691	3.9
87.03922	1.5
87.04462	23.6
89.00778	0.8
91.03946	1.5
91.05457	2.0
93.07037	2.4
95.08599	2.0
97.02880	39.6
98.03208	1.1
98.09678	1.2
98.48906	0.8
99.04446	2.4
100.11234	3.8
101.11629	1.0
103.05453	1.5
105.07018	71.3
106.07330	1.7
107.08601	1.4
108.22585	0.8
109.02863	3.7
109.10133	1.0
111.04428	1.2
115.03914	38.5
120.08060	1.9
121.02861	0.8
121.10151	1.9
123.04435	1.1
123.08061	0.9
127.03912	7.5
131.08565	3.2
133.04948	38.2
133.10117	100.0
135.11661	1.3
145.04929	6.6
145.10097	3.0
149.09576	1.2
150.07585	6.9
151.07660	0.8
157.10083	2.8
161.09619	2.6
163.06024	2.4
165.09085	1.1
167.07036	1.5
169.04951	1.3
171.11644	1.2
173.09599	1.6
175.11162	2.9
179.10640	1.1
181.05000	1.0
182.15366	2.2
187.11194	1.1
195.59209	1.0
197.04404	4.0
210.14821	2.1
211.15141	1.3
229.12177	1.9
241.07100	1.7
247.13307	2.2
259.07999	2.2
277.09100	1.2
285.03888	4.2
286.04706	13.6
295.10117	1.0
299.30194	1.0
301.07077	25.9
301.10693	3.4
313.16449	1.1
317.06525	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	462.2328
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	1.1
55.05504	0.8
57.03433	2.7
59.08220	0.4
61.02920	2.3
67.05482	1.0
69.03419	4.4
69.07050	0.5
69.64834	1.4
69.65259	1.2
70.06574	1.0
71.01347	0.9
73.02908	14.8
75.04438	0.4
79.05491	0.9
81.03409	0.7
81.07056	1.1
85.02895	9.5
85.06551	0.5
86.09683	0.9
87.04472	0.6
91.03957	0.4
91.05469	3.9
93.07035	1.3
95.04916	0.5
95.08611	0.9
97.02883	7.4
99.04482	0.5
100.11243	0.8
103.03930	0.5
103.05442	0.8
105.07024	20.7
106.07357	0.5
107.08606	0.7
109.02898	0.4
109.10177	0.4
111.04455	0.5
115.03909	3.9
115.05431	0.7
117.07028	1.5
118.07794	1.4
119.08572	0.7
121.06452	0.6
121.10125	0.7
127.03911	3.4
129.06990	0.9
131.08554	3.7
133.04982	4.4
133.10117	100.0
134.10454	1.6
145.04950	4.2
145.06467	0.7
147.11678	2.9
150.07568	1.0
151.07535	0.6
157.06360	0.7
159.11653	0.5
162.06261	0.4
163.05986	0.7
171.11671	0.6
173.13264	0.4
175.11188	2.4
179.58971	0.4
187.07516	0.5
187.11180	1.5
199.11157	1.5
201.12833	0.6
217.12206	0.8
223.06073	0.8
229.12228	1.6
241.07216	0.9
247.13269	3.1
259.08160	0.8
259.13318	0.4
301.07047	0.6
317.06567	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	462.1969
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	0.5
55.01860	1.2
55.05500	0.7
57.03418	0.9
60.04562	0.3
61.02905	0.4
69.03426	3.0
69.07059	0.5
69.65044	0.5
69.65446	2.3
70.06586	0.8
72.08150	0.6
73.02910	3.3
79.05489	2.0
81.03367	0.6
81.07037	1.1
83.04931	0.4
85.02885	2.7
86.09695	0.5
91.05473	5.4
93.07032	4.5
95.04958	0.7
95.08599	0.5
97.02876	2.1
98.21486	0.7
103.05461	1.0
105.07019	5.6
105.78879	0.3
107.04922	2.2
107.08561	0.9
109.02840	0.5
109.06520	3.7
109.10130	0.4
111.40184	0.4
115.03902	1.7
115.05440	0.4
116.06215	1.5
119.08578	1.6
120.08105	0.7
121.06515	2.6
121.09328	0.6
121.10131	6.6
123.08057	2.5
123.11723	0.7
127.03897	1.1
127.96197	0.4
129.06941	1.1
129.10210	0.4
131.08562	3.5
133.04921	0.9
133.06442	1.1
133.07439	0.4
133.10078	0.9
134.07240	0.5
137.05956	4.4
137.09557	0.4
145.04929	1.2
147.07985	0.7
149.09604	5.1
150.07738	0.4
151.07524	1.8
151.11148	3.2
164.08290	1.2
165.09090	0.9
167.10680	1.5
177.10228	2.3
179.10652	100.0
180.11029	1.6
197.44768	0.3
223.06000	0.4
224.18900	0.4
289.56558	0.4
294.59433	0.4
312.94659	0.3
346.71338	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	462.2327
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05031	2.1
57.03421	5.8
61.42209	1.8
67.05492	2.0
69.03407	6.4
69.07056	4.0
69.79951	10.8
70.06574	8.8
71.04606	2.2
71.04981	26.2
72.08147	3.3
79.05502	2.7
81.03391	5.4
81.07046	5.6
81.38653	1.7
84.08137	5.0
85.02898	35.9
86.09689	6.1
87.00813	2.4
91.05465	3.4
93.07034	7.8
95.08646	3.8
97.02849	2.1
98.20864	2.6
105.01861	2.3
105.07021	4.0
105.09924	1.9
107.08562	6.9
109.02898	2.2
110.07169	3.7
111.08125	1.9
120.08092	4.7
123.08072	2.0
127.03893	6.8
129.05434	4.5
133.10124	6.5
135.11691	4.7
138.09134	2.3
145.04933	2.2
153.01820	6.2
178.12228	2.1
179.10596	2.7
196.13417	1.9
196.17084	2.7
196.75348	2.7
214.14384	5.7
229.04936	2.2
246.04994	2.2
257.04599	4.0
273.03714	1.9
285.03928	5.1
302.04208	9.8
315.13794	2.5
317.06512	100.0
366.55875	2.3
392.84760	1.8
427.10300	2.6
462.10571	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	462.1604
Annotation	Unknow
Peak:m/z	Relative Intensity
50.95720	1.9
52.34964	2.0
53.03935	2.7
55.01850	2.2
55.53455	2.1
57.03426	4.6
61.02905	8.3
69.03423	25.3
70.06562	6.1
71.51968	4.4
72.08120	3.0
73.02898	3.2
81.03407	10.3
84.04505	4.4
84.08128	4.6
85.02895	90.5
86.09679	7.6
88.03990	4.0
91.03914	3.2
91.49467	2.2
92.04987	4.9
97.02886	27.2
98.97551	2.5
99.04442	5.0
103.03886	3.4
109.02861	7.9
110.06011	6.6
120.04456	100.0
127.03902	23.2
129.10239	3.3
132.04410	14.0
134.05980	10.2
136.07576	3.4
138.05478	69.8
140.07011	2.4
145.04936	17.0
150.05617	3.3
162.05490	11.5
163.05991	4.6
177.05525	2.6
180.06522	10.5
186.05469	2.8
195.01147	4.4
198.05424	21.2
200.07033	5.6
207.02734	2.9
216.06538	3.9
228.06586	6.4
246.07573	8.1
264.08643	33.4
282.09647	9.5
290.61438	2.6
354.42279	2.8
455.48138	2.7
463.17798	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	462.16
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	3.7
55.01860	2.4
55.05501	0.7
56.05020	1.2
57.03423	3.1
60.19635	0.8
61.02923	1.9
67.05478	0.8
69.03430	6.7
69.07063	2.6
69.17899	6.7
69.18316	1.7
70.06597	3.4
71.04973	1.5
72.08154	1.9
73.02903	1.7
74.06068	0.7
79.05493	2.7
81.03415	6.9
81.07053	1.5
83.04979	0.8
83.06123	0.8
84.04481	2.7
84.08148	4.3
85.02898	18.4
86.06063	1.7
86.09698	20.5
87.00819	7.2
87.10026	1.2
93.04485	0.9
93.07021	1.3
95.04955	4.3
97.02884	9.7
98.20728	1.6
99.04426	3.5
105.01901	6.2
105.03384	100.0
106.03725	1.4
107.08631	1.7
109.02868	5.1
110.07170	10.2
114.05527	2.0
115.38587	0.8
117.01849	1.4
119.08519	0.8
120.08089	2.2
123.04411	3.7
127.03901	10.7
128.04259	0.7
129.01849	0.8
129.10223	3.4
133.10159	1.2
135.11722	0.8
143.11790	1.4
145.04980	5.4
148.06044	1.3
153.01746	0.8
159.02887	2.9
161.09610	0.9
172.84547	0.6
179.07019	35.7
179.10664	2.3
187.10837	0.9
197.08081	38.1
197.11661	5.5
217.08002	0.9
231.05023	1.4
246.14832	1.0
256.16583	0.9
266.16064	1.1
280.63312	0.8
284.16003	1.3
287.09055	1.5
303.04984	8.5
343.04355	0.9
391.10184	1.0
427.41397	0.8
447.34134	0.7
461.77301	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2223
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	7.6
53.43991	2.3
55.01862	8.1
55.05499	10.6
57.03420	6.4
57.07076	3.1
57.37324	2.1
59.04976	2.8
61.02936	2.9
66.53722	2.2
67.05501	24.4
68.99767	4.1
69.03423	23.5
69.07066	11.4
70.06586	16.5
71.04982	5.1
71.08587	3.2
71.30306	5.4
72.08144	4.3
73.02895	6.1
79.05482	8.9
81.03413	20.0
81.07052	27.1
83.04974	10.7
83.08613	7.6
83.96450	2.4
84.04492	4.5
84.08131	7.4
85.02901	40.1
85.06527	11.6
86.09689	9.3
87.00829	14.5
91.05453	12.0
93.07040	26.2
95.04951	17.6
95.08603	43.3
97.02886	14.1
97.06529	7.1
99.04451	13.3
99.08086	100.0
100.11249	8.3
105.01841	9.9
105.07034	12.2
107.04995	3.8
107.08587	30.5
109.02879	21.1
109.06501	8.7
109.10146	42.3
111.04431	2.9
114.15113	2.1
117.01862	3.8
117.06983	4.9
119.08569	18.4
120.08147	4.4
120.97071	2.1
121.06474	5.9
121.10147	20.1
123.04395	4.1
123.08076	8.2
123.11708	11.5
125.05994	3.7
125.09620	9.0
127.03914	32.6
127.07609	2.7
129.01799	3.0
131.08582	5.8
133.10100	19.0
135.08060	5.9
135.11687	32.1
137.05952	5.0
137.09605	23.0
139.11169	2.8
143.08578	4.8
145.04936	9.2
145.06586	2.5
145.10104	5.7
146.05995	3.3
147.07994	3.3
147.11653	4.6
149.06023	2.8
149.09621	6.1
151.07524	22.9
151.11163	3.6
153.09161	3.5
155.10661	24.7
157.10039	3.3
159.02875	11.7
159.11687	4.6
163.07411	2.5
163.11205	2.8
165.09106	59.0
165.16362	2.6
167.07080	11.7
173.09566	3.7
173.13197	2.8
175.11119	3.7
175.14763	12.5
177.16577	3.0
185.13239	3.0
191.10727	5.8
193.15863	32.1
205.12241	5.9
211.14879	4.4
211.16914	81.9
212.17062	3.0
217.12041	2.8
231.05049	4.7
245.08025	7.6
336.56180	2.2
413.31174	2.7
441.20917	4.6
441.26114	2.9
459.16052	3.8
459.22147	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	459.1835
Annotation	Unknow
Peak:m/z	Relative Intensity
68.94615	0.7
69.03410	0.9
70.06593	6.1
70.70402	1.9
71.06923	1.0
72.08135	1.8
81.01603	0.6
81.03387	0.6
81.07071	0.7
84.04496	0.8
84.08138	0.9
85.02900	3.1
86.09700	3.1
91.05474	0.8
93.07043	0.8
94.70273	0.6
97.02871	1.2
99.21216	0.6
100.38852	0.5
103.05461	0.9
107.08559	1.0
109.52127	0.6
120.08109	4.7
121.08423	1.6
127.03867	0.8
129.10315	0.8
134.96077	0.6
135.11676	1.1
136.07565	1.2
145.04997	1.1
146.06075	0.9
151.48122	0.6
156.27834	0.6
157.09764	0.7
171.04985	0.8
177.05505	1.0
195.13647	0.9
203.05275	2.0
211.13100	4.5
245.06412	3.2
253.12813	4.3
259.14786	0.7
267.14502	0.7
271.04379	0.7
271.13895	1.0
283.14056	0.7
287.03632	8.3
287.06137	0.7
289.05264	20.1
289.08325	1.3
295.13916	1.0
308.97363	0.6
313.15021	0.8
317.06619	1.9
355.16818	1.2
373.18182	2.7
415.19394	16.9
459.18338	100.0
460.18567	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	459.2218
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	8.6
55.01866	7.9
55.05511	13.8
57.03431	5.1
59.05002	3.6
61.02924	4.2
65.81421	2.4
67.05499	23.8
68.99786	3.9
69.03421	26.4
69.07067	13.5
70.06577	13.3
70.81812	6.8
71.04990	7.1
73.02912	5.7
79.05489	13.9
81.03411	20.7
81.07058	23.5
83.04978	8.4
83.08614	6.4
84.04468	2.8
84.05210	2.2
84.08154	4.4
85.02435	3.5
85.02902	34.6
85.06525	10.5
86.09680	8.7
87.00822	18.5
91.05476	16.5
93.07047	33.4
95.04927	15.6
95.08610	40.6
97.02896	14.7
97.06532	3.8
99.04459	17.6
99.08084	100.0
100.11242	4.7
105.01896	12.5
105.07036	13.8
107.04947	3.4
107.08576	25.0
109.02872	21.8
109.06488	6.2
109.10150	47.5
111.04427	5.4
111.08061	5.3
113.06042	3.9
117.01841	3.0
119.08568	21.1
120.08137	4.3
121.06495	3.6
121.10128	17.6
123.08075	8.5
123.11708	12.5
125.09628	7.0
127.03926	32.9
128.07053	2.8
129.01793	4.4
129.06984	2.8
131.08578	3.3
133.10118	22.4
135.08029	5.2
135.11670	33.8
136.07614	3.1
137.05954	5.5
137.09598	25.8
137.13228	3.4
143.08556	3.5
145.04951	10.8
145.10130	6.2
146.06006	3.8
147.11665	8.9
149.09616	7.0
149.13187	4.4
151.07552	23.5
151.11150	2.9
153.09097	2.9
155.10649	27.4
157.10068	2.9
159.02870	13.5
161.09671	2.6
165.09090	53.8
165.16389	3.8
167.07011	9.4
175.11224	4.8
175.14859	17.8
187.07584	2.7
191.10609	6.1
193.15875	34.5
205.12303	4.6
210.14955	3.8
211.16931	80.2
212.17114	3.2
231.04944	7.7
235.13326	2.6
243.13585	3.0
259.68280	2.6
263.16498	4.7
280.59677	3.0
331.74838	3.1
423.19495	3.7
441.20917	4.4
444.27405	3.1
459.21664	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	459.0986
Annotation	Unknow
Peak:m/z	Relative Intensity
51.30573	4.4
56.96560	6.4
60.57024	4.6
69.03391	7.5
70.06586	7.2
71.04016	10.1
72.08131	7.6
85.02883	16.1
86.06021	10.0
97.02849	4.8
98.97589	41.3
101.00857	27.7
107.04932	20.0
107.19523	4.6
110.97545	16.2
113.00833	10.3
116.98578	18.0
119.01910	100.0
127.03906	8.3
128.98549	10.8
129.02045	5.3
131.01878	84.0
133.03453	10.4
134.99626	12.0
137.02931	14.2
141.00536	4.7
142.01093	7.1
143.01839	29.1
145.04869	5.4
147.01346	10.2
149.02890	23.0
150.73221	4.5
155.01898	30.6
158.99673	33.3
160.02168	9.5
161.02919	46.4
167.05496	7.0
170.99651	12.4
171.01254	5.9
172.01418	5.8
173.01505	8.6
173.02933	94.7
177.00681	34.0
177.02408	22.2
177.03854	6.6
177.05481	6.8
185.02925	8.3
185.06587	16.5
188.01813	5.4
189.00682	16.9
189.02385	20.4
195.04997	82.1
196.04881	7.0
197.02980	6.4
199.04456	6.6
201.00806	5.6
203.03917	5.8
207.01697	15.1
207.05057	14.7
209.06532	10.1
213.05954	22.6
215.00562	7.3
218.01147	5.5
219.01715	18.6
219.05069	26.8
219.88527	4.9
221.00735	5.7
221.05019	6.2
223.04535	5.9
225.06061	8.0
227.07593	5.0
230.01172	8.9
235.04539	21.4
237.02542	7.7
237.05971	27.9
245.05017	6.6
249.02754	13.4
249.06172	30.5
251.03796	8.3
253.05562	17.1
257.05042	10.6
260.02127	10.5
261.06036	9.4
265.05466	7.5
265.52148	5.7
267.07077	40.3
269.05054	11.7
271.06555	11.9
277.05582	18.2
279.03809	48.5
279.07031	10.4
281.02457	5.5
281.05188	30.4
293.04959	11.7
295.06607	74.8
296.06519	7.1
297.04544	72.1
297.07678	8.9
307.06555	30.8
309.04950	7.3
309.08130	9.2
311.06046	16.4
325.07715	9.3
339.05612	39.0
346.34976	4.9
351.05518	21.5
357.06583	75.0
369.06595	18.1
383.08038	18.6
397.09811	10.4
441.08636	18.8
459.10294	14.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.2064
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	4.6
55.01873	4.5
55.05491	4.7
57.03420	4.1
61.02916	3.2
67.05486	8.8
69.03423	18.8
69.07059	7.4
69.55704	4.0
69.56100	16.5
70.06580	13.5
71.04972	5.3
72.08149	5.8
73.02884	2.7
79.05479	7.1
81.03419	15.5
81.07048	12.6
83.04966	3.4
83.08582	2.6
84.08117	4.2
85.02900	34.5
85.06536	8.4
86.09694	12.4
87.00812	8.9
88.04024	2.5
91.05484	17.2
93.07033	17.9
94.59263	2.1
95.04945	9.5
95.08585	13.1
97.02872	12.1
97.06532	18.5
99.04424	8.1
99.08064	6.8
105.01842	8.9
105.07021	43.8
107.08590	15.7
109.02876	14.5
109.06494	5.3
109.10155	5.0
111.04475	2.7
111.08054	5.5
117.01875	2.1
117.06996	4.2
118.25656	2.0
119.08578	14.1
120.08055	2.7
121.06457	4.6
121.10138	12.8
123.08018	5.9
123.11671	2.5
127.03903	21.0
129.06944	2.3
129.10274	3.3
131.08569	33.8
133.06487	5.7
133.10123	100.0
134.10445	2.3
135.08015	9.7
135.11694	6.0
137.09584	5.4
139.07547	2.9
139.11169	2.8
143.08543	5.6
145.04936	9.4
145.10112	14.7
147.07976	4.8
147.11636	11.8
149.09602	6.9
149.13243	9.9
151.07503	3.3
151.11192	5.4
153.09038	3.8
158.10950	6.3
158.78314	2.2
159.02866	6.4
159.11632	2.5
163.11220	2.4
163.14796	5.0
165.09102	21.9
167.07114	3.0
173.13249	84.7
175.14896	2.8
191.10608	3.2
191.14287	67.3
199.11334	2.3
201.03757	2.1
201.05516	3.6
201.32472	2.1
209.15390	15.3
229.09717	2.1
231.04915	5.2
233.15257	2.0
234.03957	2.3
270.13235	3.2
288.14340	2.5
315.13287	5.4
316.13712	14.3
439.20013	3.1
457.15564	4.0
457.21921	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	458.3108
Annotation	Unknow
Peak:m/z	Relative Intensity
52.06850	4.6
53.03938	9.5
55.01852	17.3
55.05489	13.4
57.03422	6.5
67.05489	41.6
69.03409	35.4
69.07051	16.5
71.04974	8.5
71.53284	6.8
73.02888	11.0
79.05477	31.2
81.03407	39.3
81.07043	55.8
82.07349	4.9
85.02874	14.6
89.06008	4.1
91.05452	17.5
93.07038	32.6
95.08602	43.5
95.90738	5.3
96.08929	5.7
97.02893	42.9
99.04446	60.8
101.02370	4.7
105.06986	14.1
107.08549	20.7
109.02869	43.3
109.10129	24.0
111.04448	5.5
119.08562	8.8
120.96608	11.5
121.10119	20.3
123.11671	8.9
123.33798	4.8
127.03905	100.0
131.08511	10.6
133.10097	9.5
135.11662	15.9
136.11916	3.9
145.04930	17.9
145.10091	8.9
147.11694	6.7
159.11674	5.8
187.14653	7.3
243.21017	7.3
261.22079	16.5
338.27612	19.1
360.26004	5.5
369.24460	7.0
401.58600	4.3
405.26248	10.4
423.27139	19.0
458.23203	7.1
458.37253	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	458.2227
Annotation	Unknow
Peak:m/z	Relative Intensity
54.02007	1.6
55.01863	1.7
55.46152	1.7
61.02917	4.4
69.03407	8.9
70.06590	9.2
70.42332	6.4
71.04992	31.5
72.08140	4.7
81.03385	3.4
84.08123	4.2
85.02894	38.2
86.09684	3.9
87.04447	1.6
91.03947	3.3
91.05484	2.0
97.02859	11.6
98.97538	3.1
99.07488	3.1
99.08083	36.9
108.08092	2.5
109.02870	3.4
110.07134	2.1
117.09117	100.0
127.03926	8.5
129.08600	1.7
129.10208	2.3
134.34508	1.9
136.07553	4.5
144.25529	1.5
145.04958	17.2
149.83685	1.8
158.75497	1.7
160.24223	1.7
163.06013	5.3
164.07031	5.7
196.24306	1.7
210.11061	2.3
320.11124	1.8
333.89233	1.8
402.38507	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.2065
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	3.0
55.01853	2.2
55.05499	4.3
61.02919	1.7
64.58737	1.6
67.05502	9.5
69.03429	51.0
69.07046	8.4
69.37425	3.7
69.37824	16.0
70.06577	7.2
71.04974	3.3
72.08147	2.8
73.46559	1.7
78.96607	1.6
79.05477	5.5
81.03393	8.4
81.07042	11.0
82.14159	1.6
83.04967	7.0
83.08646	1.6
83.49471	1.8
84.04443	2.0
84.08133	2.0
85.02908	20.2
85.06525	2.2
85.08513	1.6
86.09711	5.0
87.00828	10.8
91.05488	8.7
93.07033	7.9
95.04947	2.4
95.08592	11.9
97.02917	9.1
97.06516	3.2
98.20816	3.9
98.97580	4.2
99.04443	5.5
99.08157	2.1
105.01876	7.8
105.07026	9.7
105.86240	2.1
107.08582	15.3
109.02851	8.3
109.06498	9.2
109.10162	10.4
111.08067	4.0
116.98570	2.6
119.08561	9.1
121.06513	6.5
121.10139	16.1
122.10474	1.9
123.08072	5.0
123.11700	8.8
125.09618	19.0
127.03901	12.1
128.31958	1.7
129.06906	1.9
131.08585	8.6
133.06517	1.9
133.10178	10.1
135.08047	16.5
135.11690	9.2
137.06012	1.9
137.09590	6.9
141.89220	1.6
143.08580	3.0
145.04910	3.6
145.10086	4.7
146.79193	1.7
147.11668	4.9
149.09636	11.4
149.13235	4.5
150.10379	4.1
151.08699	1.8
151.11154	2.4
153.09082	7.2
158.10890	4.0
159.02916	2.3
159.07999	1.8
161.09578	2.0
163.11151	3.6
163.14832	7.2
165.09108	26.9
165.12817	4.9
167.06992	2.3
173.13271	24.2
191.14304	98.6
205.12274	2.6
209.15353	100.0
210.15581	2.0
289.38617	1.9
320.16016	2.2
321.07794	2.2
344.16116	2.1
356.71661	1.7
371.13934	2.0
389.14444	2.0
457.14496	3.3
457.20068	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	457.2065
Annotation	Unknow
Peak:m/z	Relative Intensity
52.39330	4.4
53.03938	6.9
55.01866	5.8
55.05506	6.1
56.41578	4.3
56.96556	13.0
67.05506	26.7
69.03410	17.0
69.07063	10.3
69.31299	47.0
70.06577	17.2
71.04995	10.2
72.08139	14.9
73.02901	4.6
79.05481	15.2
81.03394	14.6
81.07074	24.2
83.04952	9.3
85.02911	28.2
85.06541	6.5
86.09702	48.6
87.00798	9.1
89.73859	4.4
91.05467	13.8
93.07056	15.6
95.04964	11.0
95.08595	22.8
97.02872	10.7
97.06514	8.2
98.97551	16.0
105.01884	4.7
105.07015	19.1
107.04961	5.4
107.08588	21.0
108.69900	4.6
109.02845	12.8
109.06509	97.6
109.10146	32.0
115.00737	5.4
116.98619	8.9
117.07018	4.6
119.08572	14.6
120.08067	10.6
121.06490	8.5
121.10114	22.4
123.08018	14.0
127.03857	13.1
127.21044	4.3
128.98615	11.2
129.06961	4.5
131.08557	21.8
133.10072	23.2
135.08034	43.9
135.11670	6.2
137.09602	14.8
139.68776	4.6
145.10172	10.7
149.09610	10.0
149.13165	5.8
151.11093	9.1
153.09094	5.7
157.10086	7.4
159.08008	6.8
165.09097	83.3
167.07010	8.2
169.27925	4.6
173.13254	28.1
174.98499	5.0
177.08902	5.3
191.10655	6.0
191.14290	90.7
205.12248	8.1
209.15318	50.5
219.01730	15.0
227.09560	8.9
227.17662	6.5
237.02727	25.9
245.10606	17.4
269.10666	10.2
356.79321	5.0
371.13727	53.2
389.14722	32.4
413.15039	34.4
426.69717	5.0
439.19943	6.4
457.14600	100.0
458.15082	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	457.2065
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02423	1.9
53.03940	12.4
55.01861	8.3
55.05499	8.5
57.03430	18.2
57.07063	1.8
59.04977	2.4
61.02913	4.8
64.89100	1.9
65.03928	2.5
67.05228	1.7
67.05506	16.9
68.99789	4.7
69.03424	49.8
69.07056	13.0
70.06590	13.2
70.09912	1.8
71.04984	14.0
71.06508	4.9
72.08147	15.1
73.02898	6.3
79.05492	13.2
81.02928	3.4
81.03412	62.1
81.07047	24.1
83.04975	9.7
83.08623	7.1
84.08110	3.0
85.02903	58.6
85.06527	24.3
86.03276	2.0
86.09696	37.1
87.00826	19.5
91.05476	14.9
93.07037	21.6
95.04957	4.9
95.08596	27.1
97.02890	14.5
97.06516	4.3
98.97559	7.3
99.04446	17.7
99.08132	1.7
105.01846	9.1
105.07027	17.4
107.04977	2.8
107.08585	47.2
109.02867	49.7
109.06526	11.4
109.10144	39.5
111.08070	5.7
113.05983	17.8
115.03931	2.8
116.98620	7.5
117.07009	2.7
119.04929	2.3
119.08583	16.0
121.06493	9.2
121.10136	31.3
122.07267	3.8
123.08065	10.1
123.11680	6.8
125.05943	2.3
125.09630	9.8
127.03906	100.0
129.01785	2.4
131.08542	11.0
133.10123	32.4
134.99608	2.8
135.08057	12.0
135.11655	9.8
136.07561	3.0
136.64836	2.3
137.05945	3.3
137.09612	25.0
139.07690	2.8
139.11148	6.3
143.08568	3.4
145.04933	9.1
145.10124	9.1
147.08113	2.5
147.11678	11.5
149.05989	5.6
149.09593	7.8
149.13242	19.4
151.07538	3.5
151.11159	31.7
153.09097	7.8
153.12697	3.3
157.10106	3.4
158.10884	2.7
159.02905	10.0
159.07944	2.3
159.11745	2.8
161.09642	5.1
162.99191	2.1
163.11169	4.8
163.14786	16.4
165.09097	41.5
167.07080	2.9
169.12253	17.7
171.11580	2.8
173.01093	2.9
173.05952	2.6
173.13228	27.3
177.00638	3.2
177.05417	3.2
177.09116	2.2
181.08539	5.6
185.16545	3.1
187.05974	3.0
191.10664	7.2
191.14301	82.2
199.18042	6.4
201.05531	3.2
205.12206	4.0
209.07993	4.7
209.11526	2.3
209.15346	57.0
213.03819	9.8
213.16039	3.6
219.01743	2.7
227.16254	49.3
231.04889	12.7
231.17035	5.8
421.18546	3.1
439.19885	6.8
457.14737	5.8
457.19971	3.8
457.24951	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	457.1468
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	4.7
55.05509	3.6
56.96561	6.2
57.03430	2.1
67.05495	5.0
69.03408	3.3
69.07075	11.0
69.36761	20.5
70.06588	33.2
72.08127	2.9
79.05489	5.7
79.36551	1.9
81.03410	5.3
81.07048	8.5
84.08082	2.4
84.96027	10.1
85.02888	6.0
86.09698	94.7
87.00797	2.6
91.05470	6.6
93.07040	7.4
95.08622	4.4
97.02901	2.9
97.06528	2.8
98.97575	37.2
99.04443	3.4
105.07017	7.1
107.08578	7.0
108.42002	2.1
109.02879	4.4
109.06570	2.9
109.10158	4.5
112.08765	2.7
112.99156	6.7
116.98592	25.0
119.08556	5.4
120.08078	13.5
121.10132	5.4
123.08087	3.0
123.11677	2.9
127.03899	6.1
128.10722	12.4
130.08627	8.5
131.00194	10.6
131.08543	5.6
133.10126	23.4
133.25134	2.3
134.99632	13.4
135.08110	2.8
137.05865	2.4
137.09581	2.2
140.07053	2.3
145.04895	2.6
145.10121	3.4
149.01241	10.2
149.09619	6.3
151.11200	3.4
156.11314	5.9
158.99635	10.2
162.99124	3.8
165.09068	11.9
168.06537	2.6
172.10823	11.2
173.01210	8.8
173.13237	12.7
177.00668	22.6
191.02281	14.4
191.10655	2.3
191.14311	11.1
191.59557	2.0
195.01637	3.3
200.02301	2.3
201.00722	2.4
209.15375	3.1
219.01740	6.4
229.15382	5.7
251.09384	10.6
255.09018	2.6
255.11349	3.2
256.11639	4.4
269.10513	14.0
283.12195	4.5
285.19263	5.0
293.10611	8.0
299.76385	2.2
311.11572	11.5
315.13330	22.9
316.13687	52.5
334.13214	2.3
378.55670	2.4
412.55719	2.2
413.16846	11.8
457.14822	100.0
457.24042	30.7
457.31250	73.9
458.14447	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	455.2166
Annotation	Unknow
Peak:m/z	Relative Intensity
52.77755	2.4
55.05509	15.3
55.82205	2.6
57.03412	9.4
57.07067	3.0
67.05180	3.8
67.05501	44.8
69.07066	13.9
71.52987	2.0
71.53416	3.0
76.74734	2.4
79.05493	30.6
81.06606	2.7
81.07053	39.5
83.08596	5.2
91.05476	16.1
93.07037	23.7
95.04937	3.4
95.08599	37.2
97.10155	3.3
105.07011	9.5
107.08581	8.8
109.06445	3.0
109.10168	12.5
119.08578	8.2
120.96628	67.6
121.10120	7.7
130.39268	2.6
131.08548	5.1
133.10150	6.5
135.11652	5.5
145.10089	3.2
147.11676	3.0
156.97435	4.3
161.13297	2.7
173.13387	2.8
174.98468	12.8
195.00330	8.1
213.00058	9.3
301.20004	4.7
319.21027	3.6
335.25790	100.0
336.26080	4.0
357.23984	47.1
375.25095	2.8
390.05487	2.6
437.19406	4.0
455.21603	69.7
455.31418	3.7
456.21948	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.1472
Annotation	Unknow
Peak:m/z	Relative Intensity
56.47695	2.5
56.96548	11.5
57.03427	3.4
60.15261	3.0
62.46274	2.7
62.84251	2.8
69.03419	5.3
69.07027	5.1
69.18256	13.2
69.18680	18.7
69.28734	3.0
70.06578	10.1
72.08132	3.6
79.05473	6.1
81.03429	3.7
81.07033	5.2
83.04966	3.1
84.08147	5.0
84.96010	7.6
85.02892	7.6
86.09694	28.2
87.00806	2.9
91.05447	6.8
93.07010	5.5
95.08593	4.1
98.21563	3.8
98.97575	42.5
105.06992	9.1
107.08553	3.4
109.10132	4.5
112.99117	6.1
116.98615	26.9
119.08546	4.8
119.79077	2.7
120.08112	3.9
121.10169	2.8
127.03865	5.9
128.55788	2.8
131.00175	15.8
131.08490	4.5
133.10095	20.0
134.99609	7.3
137.09584	2.9
145.04903	2.6
149.01204	8.2
154.93657	3.1
158.99643	11.4
165.09138	13.0
173.01199	12.4
173.13235	7.1
177.00708	22.4
191.02214	16.7
191.14233	9.1
195.01678	3.4
201.00734	3.2
219.01634	4.4
229.15205	3.2
234.14645	3.0
251.09482	13.8
265.11011	3.6
269.10443	12.8
279.26913	2.6
283.11981	4.6
293.10577	11.9
298.12445	3.3
311.11609	15.1
315.13373	14.1
316.13730	41.2
371.13400	3.9
413.15594	9.2
457.14590	100.0
457.24069	15.9
457.31186	17.8
458.14679	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	454.2923
Annotation	LysoPE(0:0/16:0)
Peak:m/z	Relative Intensity
51.24226	0.5
55.05499	1.3
57.03438	3.4
57.07070	18.2
57.59468	0.7
62.06081	23.5
67.05499	3.2
69.07054	3.6
69.51584	0.7
70.65777	1.1
70.66150	1.4
71.08236	0.8
71.08619	12.4
81.07050	5.4
83.08610	4.3
85.10179	8.4
89.06044	0.6
90.10015	0.7
95.08611	7.5
97.10152	1.8
98.98467	4.7
99.11726	0.7
109.10162	3.6
111.11729	0.8
123.11668	1.3
124.01582	1.3
131.56337	0.7
142.02655	1.0
155.01027	6.0
198.05168	1.0
216.06329	2.2
239.23672	2.4
257.24554	1.0
282.27881	11.6
313.27332	100.0
314.27725	3.1
393.24063	5.7
436.28192	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.1154
Annotation	Unknow
Peak:m/z	Relative Intensity
69.88993	3.5
75.83833	0.6
112.89613	0.9
117.77253	0.7
131.01923	1.8
137.01872	1.4
141.71065	0.8
143.01933	2.0
173.02919	3.4
173.53087	0.7
179.03084	0.9
182.03438	1.1
203.04010	2.4
224.04526	1.9
245.05032	0.7
455.11597	100.0
456.11810	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	455.1519
Annotation	TyrMe-His-OH
Peak:m/z	Relative Intensity
51.69263	0.3
52.52901	0.3
58.42808	0.3
64.83491	0.3
65.03936	0.3
69.03426	0.5
70.06576	1.1
71.52618	0.4
72.08139	0.3
81.07069	0.4
84.04495	0.4
84.08121	0.9
85.02889	1.1
86.09709	0.4
89.07154	0.6
91.05456	2.3
93.07053	0.4
94.30547	0.3
97.02859	0.4
105.03368	0.8
110.07156	0.5
116.16522	0.3
119.01903	0.6
122.06030	0.4
124.07564	0.5
127.03929	0.5
129.10146	0.3
131.01903	0.6
136.07585	3.0
138.09116	0.3
140.07019	0.3
145.03514	0.4
152.07045	0.4
155.01927	0.5
157.03453	0.3
161.02951	0.7
164.07068	2.2
164.49951	0.3
170.08174	0.4
173.02948	0.8
182.08040	0.4
197.03027	0.5
203.03998	0.4
203.14108	0.3
221.05074	0.8
232.09869	0.3
245.04865	1.7
257.05084	0.7
275.13965	0.4
293.10059	0.6
293.14941	0.5
311.09741	1.0
335.09500	0.4
347.08447	0.6
353.10504	0.5
455.15189	100.0
456.15421	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	454.0976
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	0.8
55.01864	0.8
55.05507	0.6
57.03422	0.5
57.18993	0.3
61.02890	0.4
67.05518	0.4
67.26728	0.3
69.03429	4.5
69.99706	1.7
70.06593	2.1
71.04979	0.6
72.08150	0.5
73.02904	1.0
79.05470	0.3
81.03412	4.5
81.07031	0.5
84.04498	0.7
84.08121	0.9
85.02899	5.7
86.09687	1.0
87.00818	2.3
91.03963	0.4
97.02889	2.8
98.97564	0.6
99.04443	1.4
100.11224	1.9
105.01851	1.4
109.02872	3.5
110.07204	0.5
117.01849	0.6
120.08089	0.6
127.03912	5.0
129.01851	0.6
132.04434	6.8
136.07486	0.6
137.05933	0.3
145.04953	1.8
147.02829	0.5
159.02911	2.0
160.03883	0.5
178.04974	62.7
179.05362	1.5
200.32089	0.3
206.04465	100.0
207.04788	2.6
219.01686	0.6
227.17603	1.1
228.17770	0.5
231.04929	0.4
237.02800	0.5
274.10739	0.8
292.11688	1.8
324.10645	0.4
454.09662	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.1086
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96557	14.4
57.03419	2.4
65.86107	2.1
66.22194	2.0
68.05022	2.5
69.03427	5.0
71.34487	4.6
81.03378	2.5
85.02892	8.0
95.47929	2.2
97.02888	5.3
98.97573	21.2
101.00868	9.8
102.68814	2.4
103.02445	3.9
110.07144	2.2
110.97559	4.5
113.00877	2.6
113.03484	2.7
115.02425	7.0
116.98589	14.1
117.03988	8.0
119.01911	34.1
121.03446	4.0
123.05518	2.5
125.07127	4.2
128.98589	10.0
131.00168	6.6
131.01894	29.4
133.03464	28.7
134.99635	8.1
135.05045	11.6
136.06154	2.3
137.02917	6.6
141.03922	3.3
143.00134	4.2
143.01869	19.4
145.03456	29.6
146.99632	6.2
147.01389	2.9
147.05048	5.3
149.01228	3.6
149.02914	6.5
151.04532	7.1
155.01878	31.1
156.02649	6.9
157.03453	9.7
158.99615	4.4
159.05011	26.8
161.01466	3.6
161.02921	38.1
161.04156	2.8
163.02895	3.0
163.04512	14.7
169.03445	3.4
170.99611	4.7
171.05016	33.6
173.01448	4.1
173.02939	43.5
173.06587	10.6
175.02919	4.6
175.04524	10.0
177.00659	6.0
177.06023	20.3
183.04979	4.7
185.02994	5.0
185.06573	6.9
186.10626	2.2
187.04491	18.6
189.00841	5.1
189.02428	4.0
189.06038	32.2
191.07631	3.8
197.02922	5.0
199.02765	2.3
199.04433	5.1
201.06053	30.0
203.02380	2.9
203.03987	14.6
203.07672	9.5
208.96338	2.5
213.02481	4.7
213.06145	8.4
215.04086	3.5
215.07635	3.9
217.03786	3.1
217.05643	3.2
219.01762	6.0
219.07159	9.1
221.02872	3.5
221.05042	67.4
228.05284	2.3
229.01617	2.3
231.03667	2.8
231.07068	4.5
232.96443	2.8
234.99825	6.9
237.02788	13.9
243.07118	4.8
245.04991	20.2
246.04774	2.8
257.05045	3.8
259.06696	11.2
261.08191	43.4
263.06064	5.9
265.96832	2.5
271.06549	2.6
274.97516	3.8
275.02448	2.3
277.00885	3.4
279.09219	100.0
280.09470	3.3
292.98477	3.2
295.07339	2.8
295.97745	2.2
301.00723	3.0
302.10959	2.7
305.10770	13.7
313.98553	4.7
319.09067	12.8
321.10214	8.4
325.08246	3.5
337.09155	2.4
343.01559	3.2
349.09662	8.8
361.02438	9.8
367.00204	5.0
391.10638	3.4
393.12488	10.7
417.08600	16.5
435.09805	36.2
453.10648	45.4
454.11307	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	452.2122
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	4.8
54.67500	3.3
55.01859	9.3
55.05502	4.2
57.03423	5.6
59.04996	21.6
60.04509	5.9
63.38599	3.9
67.05493	8.3
68.67108	2.8
69.03422	21.0
69.07045	5.3
70.06599	37.2
70.81289	10.1
71.04989	6.2
72.08140	6.6
73.02872	5.1
75.19108	3.3
79.05473	6.9
81.03416	17.3
81.07044	45.3
83.08601	4.5
84.08141	6.6
85.02898	51.9
86.09694	14.6
87.00817	23.1
87.04482	15.7
89.06007	4.0
91.05461	14.6
93.07036	76.2
95.04935	7.3
95.08585	10.4
97.02898	20.8
99.04424	6.8
100.50424	3.1
102.86270	2.9
105.01857	14.7
105.06509	2.9
105.07033	34.5
107.08583	17.9
109.02868	12.7
109.06506	7.1
109.10137	9.9
110.07178	3.4
111.08080	50.5
118.06496	5.1
120.08086	17.4
121.10152	12.1
123.11697	15.1
127.03913	24.1
129.01831	3.1
129.10255	6.9
132.03464	3.7
133.10124	24.2
136.07524	6.7
137.48682	3.5
140.73457	2.9
145.04930	14.3
145.10149	5.0
146.05995	9.6
151.11160	47.7
159.02870	8.6
169.12228	100.0
175.52231	3.6
187.13280	40.4
211.03162	3.7
231.04980	3.9
242.65312	3.8
287.05209	4.6
288.05740	18.4
289.06021	13.3
290.06305	23.2
312.14783	4.3
453.17554	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	452.2121
Annotation	Unknow
Peak:m/z	Relative Intensity
51.74485	0.7
53.03924	2.4
55.01866	1.2
55.05499	2.7
57.03439	0.9
60.04509	2.4
67.05505	1.9
69.03426	4.3
69.07055	2.7
70.06588	18.5
70.77638	2.4
71.04988	15.5
71.06918	0.8
72.08146	4.1
75.34267	0.7
79.05490	19.2
81.03409	2.6
81.07050	100.0
82.07387	1.4
83.04963	6.8
84.04481	1.0
85.02893	7.7
85.06525	1.2
86.09689	2.7
87.00813	2.8
87.05566	2.6
89.06012	1.0
91.05476	3.2
93.07042	2.0
95.04943	2.4
95.08589	2.6
97.02888	2.9
97.06577	1.0
99.04408	1.7
105.01868	2.8
105.07041	1.5
107.05007	0.9
107.08588	4.5
109.02847	2.2
109.06499	1.0
109.10149	4.9
117.01856	0.9
118.06513	2.4
119.04908	1.5
120.08066	1.9
123.04433	1.8
123.11688	7.3
126.63581	0.8
127.03925	5.3
133.06113	1.6
133.10136	1.8
134.06007	2.0
136.07576	3.8
138.93549	0.8
139.11177	2.8
145.04929	2.6
146.05992	8.2
151.11166	8.2
153.08946	0.8
157.09744	3.2
157.12244	0.8
159.02917	1.6
162.05421	1.2
164.07028	0.9
165.05484	1.8
169.12225	90.0
170.12578	2.3
182.08109	1.7
187.13319	2.9
217.13287	2.1
231.04984	1.6
245.08096	1.0
245.12845	1.5
286.10840	2.0
343.93539	0.8
377.16583	1.0
408.68060	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.2319
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	11.8
55.05505	30.6
67.05488	21.4
69.03410	8.9
69.07044	8.5
70.06577	4.3
71.52450	6.5
72.89346	4.8
79.05473	15.7
81.03399	9.0
81.07048	33.6
81.33615	5.0
83.04970	8.0
83.08603	16.9
85.02950	5.4
91.05485	23.9
93.07019	19.8
95.01332	12.7
95.04971	10.8
95.08582	19.6
105.07017	21.3
107.04901	13.0
107.08566	11.3
109.02890	4.7
109.10152	17.0
117.07003	8.3
119.08583	18.3
121.10126	11.0
123.08030	5.7
128.06238	6.2
129.07011	8.1
131.08537	15.6
133.06430	5.6
133.10115	12.9
135.08046	7.6
137.09595	8.2
138.07790	4.4
139.03886	6.0
141.06963	6.9
145.06454	7.6
145.10115	11.8
147.07945	5.9
147.11684	4.9
149.09653	6.4
157.10072	6.8
159.07982	5.6
161.05934	4.9
162.00557	4.4
169.10043	7.2
171.08003	5.7
173.05913	4.6
175.11197	5.5
177.01776	11.3
187.11137	10.0
188.35335	4.7
189.05495	7.0
191.10716	5.8
197.09688	6.9
201.05342	5.0
203.06969	11.6
203.10654	6.6
215.10678	9.4
225.08958	6.0
233.11647	11.6
243.10150	35.0
261.11255	21.6
267.12384	5.9
275.20117	8.9
289.10895	14.7
298.85999	5.2
307.11804	20.3
325.12747	100.0
369.20392	6.0
415.21176	10.5
433.22186	17.8
451.23239	13.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	450.261
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	12.4
55.60059	11.5
56.11911	11.7
67.05476	59.4
68.39670	16.2
69.07059	19.5
71.52580	13.4
71.52963	20.3
79.05462	32.1
79.76479	13.0
81.07041	46.0
93.07024	30.5
95.08584	52.5
98.98469	62.7
105.07082	13.4
107.08575	21.8
118.26431	13.8
121.10125	14.8
135.11638	13.6
146.22729	12.6
155.01038	15.9
206.55360	14.5
261.22241	29.5
284.78903	14.3
307.72046	13.7
335.25742	100.0
417.48114	15.2
453.74527	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	451.2319
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	11.8
55.05505	30.6
67.05488	21.4
69.03410	8.9
69.07044	8.5
70.06577	4.3
71.52450	6.5
72.89346	4.8
79.05473	15.7
81.03399	9.0
81.07048	33.6
81.33615	5.0
83.04970	8.0
83.08603	16.9
85.02950	5.4
91.05485	23.9
93.07019	19.8
95.01332	12.7
95.04971	10.8
95.08582	19.6
105.07017	21.3
107.04901	13.0
107.08566	11.3
109.02890	4.7
109.10152	17.0
117.07003	8.3
119.08583	18.3
121.10126	11.0
123.08030	5.7
128.06238	6.2
129.07011	8.1
131.08537	15.6
133.06430	5.6
133.10115	12.9
135.08046	7.6
137.09595	8.2
138.07790	4.4
139.03886	6.0
141.06963	6.9
145.06454	7.6
145.10115	11.8
147.07945	5.9
147.11684	4.9
149.09653	6.4
157.10072	6.8
159.07982	5.6
161.05934	4.9
162.00557	4.4
169.10043	7.2
171.08003	5.7
173.05913	4.6
175.11197	5.5
177.01776	11.3
187.11137	10.0
188.35335	4.7
189.05495	7.0
191.10716	5.8
197.09688	6.9
201.05342	5.0
203.06969	11.6
203.10654	6.6
215.10678	9.4
225.08958	6.0
233.11647	11.6
243.10150	35.0
261.11255	21.6
267.12384	5.9
275.20117	8.9
289.10895	14.7
298.85999	5.2
307.11804	20.3
325.12747	100.0
369.20392	6.0
415.21176	10.5
433.22186	17.8
451.23239	13.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	450.2329
Annotation	Unknow
Peak:m/z	Relative Intensity
52.60067	6.8
53.03939	8.3
69.07058	21.6
70.06580	24.5
71.05003	8.7
71.52410	12.8
75.20097	7.2
79.05470	23.7
81.03390	9.4
81.07048	40.8
83.04992	11.2
83.08637	7.5
84.04499	9.6
84.08135	16.7
85.02895	29.5
85.06517	9.4
86.09715	17.4
91.05486	19.7
93.07032	51.4
95.04940	16.0
95.08595	20.4
97.06553	24.6
99.04439	14.1
105.07011	18.1
107.08579	22.9
109.06530	28.4
111.08076	9.0
118.68080	8.3
119.08582	19.6
121.06499	67.6
121.10117	22.1
123.11707	12.9
123.43456	8.7
125.05915	12.0
126.21869	8.6
127.03896	8.7
127.07567	7.9
131.08528	8.6
133.10135	13.2
137.05968	14.0
139.07549	13.7
140.30911	7.9
143.08586	8.7
144.74818	7.7
147.11694	30.8
157.10141	20.4
159.45294	8.2
165.12753	9.5
171.11647	15.0
173.09593	17.3
175.11194	27.7
193.12169	19.5
199.11166	15.8
207.13777	9.0
217.12180	70.6
235.13271	100.0
253.14412	73.2
288.05771	16.1
450.21518	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	450.1965
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.9
54.91842	0.5
55.01850	1.5
57.03426	3.3
61.02919	5.4
65.03938	1.4
67.36851	0.5
69.03425	11.5
69.53475	3.9
70.06587	0.5
71.05005	1.0
73.02919	2.9
74.26318	0.6
81.03409	4.2
82.02448	0.5
83.01333	0.7
85.02897	60.4
86.03208	0.7
87.04455	1.1
91.03980	3.6
91.05473	100.0
92.05797	1.2
97.02882	32.7
99.04456	2.2
100.28107	0.6
103.03934	0.7
105.07021	0.7
109.02871	4.6
115.03916	3.2
117.07001	0.9
124.07571	0.6
127.03914	14.7
129.07011	0.8
133.06490	1.5
141.07387	0.5
143.03444	0.5
143.08511	1.0
144.06496	0.6
145.04948	24.5
145.06250	1.0
145.06470	1.2
148.07535	0.7
157.06483	0.8
161.04454	2.0
163.06012	12.3
171.08109	1.5
217.08548	2.7
235.09712	1.4
253.10803	1.6
264.19745	0.5
288.14200	0.7
316.50482	0.6
325.11337	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	450.1964
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	1.4
55.01865	1.6
57.03431	3.3
61.02924	5.4
65.03937	1.4
67.19592	0.4
69.03421	10.9
69.29067	1.9
69.29494	1.9
71.01371	0.5
71.04977	1.6
73.02893	2.1
75.99384	0.4
77.81906	0.4
81.03407	3.6
85.02893	61.7
86.03200	0.4
87.04456	1.4
91.03959	3.7
91.05470	100.0
91.75418	0.4
92.05805	1.0
92.18628	0.5
97.02880	33.7
98.03206	0.5
99.04434	2.8
101.02362	0.7
103.03949	0.9
105.07026	0.5
109.02877	5.3
115.03935	2.9
117.06983	1.5
127.03902	14.2
129.07007	1.3
133.06459	1.4
143.03427	0.5
145.04942	26.8
145.06360	0.9
153.06943	0.7
157.06497	1.4
161.04486	2.3
163.05991	13.0
171.08067	1.3
175.07530	0.8
217.08533	3.0
221.62332	0.4
235.09590	1.1
253.10658	2.0
325.11090	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	450.2332
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	6.6
57.03420	5.4
57.07067	2.9
60.88882	2.1
61.02908	3.5
67.05497	8.4
69.03419	6.4
69.07058	11.5
70.06602	13.1
71.04964	5.3
71.49766	2.1
72.08156	6.7
73.02903	11.8
79.05482	9.3
81.03413	4.1
81.07045	30.2
83.04978	6.9
83.08635	3.3
84.08116	2.5
85.02896	8.4
85.06527	6.6
86.09689	10.2
91.05459	10.1
93.07044	17.3
95.04955	5.0
95.08572	13.1
97.02884	5.7
97.06512	8.0
99.04453	3.3
105.07024	32.3
107.04953	2.9
107.08597	24.6
109.06506	14.8
109.10136	9.2
111.08041	4.8
119.08586	21.6
120.08092	11.6
121.06496	11.2
121.10119	21.0
123.08058	12.5
123.11694	26.3
125.05990	3.3
127.03857	4.1
127.07562	8.1
129.10223	2.5
133.06502	2.5
133.10075	5.9
135.08035	9.5
137.06001	3.4
137.09622	3.2
139.07542	8.7
142.01106	2.6
142.39532	2.7
145.10057	4.6
147.08025	2.9
147.11676	87.3
148.11964	2.8
149.09601	11.9
149.13228	7.1
157.08618	2.6
157.10117	3.4
161.13293	4.6
163.07458	2.3
163.53522	2.6
164.07030	4.7
165.12738	92.7
165.14151	4.8
165.45036	2.4
171.11665	3.7
173.09601	3.2
175.11237	9.1
183.13763	12.3
183.47266	2.6
189.12732	10.4
191.14334	5.2
193.12186	16.7
207.13823	5.9
209.15404	10.1
211.13205	3.5
215.69196	2.2
217.12132	12.7
223.93213	2.3
229.14317	62.9
229.60263	2.9
235.13292	21.4
253.14326	100.0
254.14742	3.6
256.22116	2.7
271.15323	3.1
287.05365	4.9
288.05792	8.7
289.15433	6.8
303.04517	6.9
317.06534	21.6
318.06842	51.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.2161
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02358	0.8
53.03937	3.1
55.01860	3.8
55.05504	6.9
57.03435	1.8
57.07090	1.7
61.47999	0.8
62.77319	0.8
65.03913	1.9
67.05499	21.2
68.99789	1.9
69.03412	1.6
69.07064	6.6
69.38927	3.9
69.39355	3.7
71.04984	1.8
73.20811	0.9
79.05487	37.0
81.03410	2.5
81.07048	100.0
82.07407	0.9
83.04962	3.1
83.08613	4.1
85.06533	1.9
85.86368	0.8
86.88699	0.8
91.05473	19.2
93.07034	15.8
95.04965	6.0
95.08603	12.8
96.04513	0.9
97.06519	3.6
105.07021	20.7
107.04958	5.4
107.08590	12.2
109.06510	32.0
109.10171	6.6
111.00795	2.7
111.04446	1.0
111.08072	1.1
115.05445	1.7
117.07017	5.7
119.08571	12.5
121.06515	3.2
121.10141	6.3
123.08062	5.4
123.11671	2.4
125.09599	1.1
129.06992	2.6
131.08554	11.1
133.06412	1.6
133.10130	12.6
135.08023	4.3
135.11678	3.4
137.05846	0.9
137.09663	5.2
139.00229	2.8
143.08556	1.7
145.10103	7.2
147.08022	2.4
147.11679	13.9
149.09648	8.0
149.13202	3.8
151.11206	1.3
157.10109	4.3
159.08011	1.1
159.11697	4.9
161.09628	1.5
161.13284	1.5
163.11194	3.7
163.14848	1.2
165.12744	5.6
171.11642	2.1
173.13254	3.2
175.11179	5.3
177.12669	1.5
183.11684	1.7
187.14857	1.3
189.12799	1.5
191.14311	0.9
193.12213	4.3
197.13165	1.2
201.12907	0.9
211.13181	1.2
211.15036	0.8
215.17941	1.0
226.60370	0.9
229.19539	2.5
239.17972	2.0
247.20561	5.8
257.19003	6.7
275.20044	46.9
276.20505	1.2
287.05411	1.5
290.79153	0.9
293.21085	7.4
327.94086	1.0
339.93167	0.8
449.21701	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	449.266
Annotation	Unknow
Peak:m/z	Relative Intensity
51.94128	2.4
55.05504	17.7
57.03437	16.2
57.07061	9.4
59.95477	2.7
67.05502	37.4
69.07069	24.1
69.88358	13.8
71.08618	3.3
79.05486	14.6
81.07050	46.0
83.08624	14.8
85.10154	3.8
86.56994	3.9
91.05476	10.6
93.07027	11.4
95.04954	3.1
95.08595	36.4
97.10156	7.9
98.98466	13.8
105.07021	10.9
107.08597	9.2
109.10146	17.3
112.99212	5.1
113.00012	100.0
118.26556	2.9
119.08588	3.6
121.10143	7.9
123.11725	4.8
125.77706	3.0
131.08574	4.3
133.10115	5.4
136.99994	9.9
137.13228	2.5
145.10168	3.2
147.11708	3.0
155.01031	13.1
161.13132	3.0
169.02632	22.4
173.13194	4.3
187.03632	8.2
233.20975	2.7
245.22672	3.9
263.23676	5.8
313.27353	7.4
337.27319	98.2
338.27530	4.9
449.26587	6.8
449.34296	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	449.2166
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02361	0.8
53.00285	0.8
53.03933	3.9
55.01876	4.6
55.05507	14.9
57.03424	1.9
57.07072	14.5
59.65695	0.8
65.03934	7.0
67.05499	26.7
68.99783	3.7
69.03412	2.1
69.07062	9.9
70.58808	2.7
71.04966	3.0
71.38542	0.7
77.03909	1.2
79.05487	38.5
80.05819	0.9
81.03420	4.8
81.07050	100.0
82.07391	1.0
83.04975	42.3
83.08615	6.6
84.98586	0.8
85.06535	2.0
91.05476	33.2
93.06481	1.3
93.07038	20.0
93.90125	0.7
95.04961	12.1
95.08598	15.7
97.05950	1.0
97.06511	6.8
97.10179	1.4
98.98464	3.9
99.08068	1.9
103.05479	0.8
105.07031	26.8
107.04942	8.4
107.08583	14.0
109.06511	31.7
109.07269	1.7
109.10164	7.8
111.00809	4.2
111.04496	0.9
111.08070	2.6
115.05434	2.0
117.07005	8.5
119.08572	21.4
121.06496	3.6
121.10146	11.6
123.08065	6.6
123.11688	2.4
125.09595	1.3
128.06247	1.5
129.01875	0.8
129.06966	4.5
129.33475	0.9
131.08551	12.3
133.06450	1.7
133.10123	18.0
135.08043	5.3
135.11694	5.2
137.09605	5.5
137.13214	1.1
139.00255	3.3
139.11107	1.1
141.06969	2.5
143.08530	2.8
145.10120	10.3
147.08028	1.8
147.11678	24.3
149.09607	13.4
149.13231	3.6
151.01508	4.3
151.11194	4.4
155.08582	1.3
157.01350	1.8
157.10103	6.9
159.08051	2.2
159.11717	7.2
161.09601	2.0
161.13223	2.7
163.01527	3.2
163.11171	11.4
165.12732	8.3
169.07542	0.8
169.10156	1.9
171.11711	1.6
173.09558	1.9
173.13179	3.8
175.01527	5.5
175.11157	8.7
177.12721	4.5
183.11626	1.7
185.13148	1.0
187.14769	1.2
189.12717	2.1
193.12213	5.6
193.15971	0.8
197.13245	2.5
201.12813	1.2
205.12309	0.9
211.05144	0.9
211.14865	1.2
215.14383	0.9
227.04626	2.0
229.19527	2.7
233.19016	0.9
239.04663	1.9
239.17915	4.9
247.20534	4.8
257.19046	7.9
260.99222	2.7
275.20047	53.0
276.20395	1.4
293.21088	9.0
337.02325	28.3
338.02802	1.0
351.25107	1.1
355.54306	0.8
384.09680	0.8
388.82321	0.9
393.08591	48.6
394.08911	1.7
431.20282	1.2
449.14935	6.2
449.21619	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	449.1076
Annotation	Isorhamnetin 3-alpha-L-arabinofuranoside
Peak:m/z	Relative Intensity
51.55282	0.6
53.03931	0.6
55.01870	0.8
55.05494	0.9
57.03431	7.6
61.02904	2.5
65.77657	0.6
67.05483	2.0
69.03414	2.2
69.07064	0.7
69.46973	1.4
69.47384	3.7
70.06579	2.6
71.04977	0.6
72.08141	1.1
73.02908	14.7
74.03221	0.8
79.05470	1.8
81.03415	1.8
81.07043	2.6
83.04964	0.8
84.04568	0.6
84.08154	1.2
85.02903	3.7
85.03352	0.7
86.09693	4.6
87.00814	0.9
87.73401	0.6
91.05460	2.5
92.02618	1.0
93.03359	1.0
93.07024	2.4
95.04960	1.5
95.08584	2.4
97.02872	1.2
98.21491	1.3
103.05453	0.6
105.01824	0.7
105.07028	3.2
107.04952	0.9
107.08589	2.4
109.06414	0.7
109.10113	1.5
110.07166	0.7
111.04431	0.9
115.03911	1.4
119.08575	2.1
120.08108	2.9
121.02864	2.2
121.10156	2.0
123.08066	1.0
123.11661	0.8
127.03874	1.2
127.11119	0.8
129.07030	0.9
131.08569	1.3
133.10141	2.3
135.11618	0.8
136.07529	0.6
137.05940	1.3
137.09584	0.6
139.03920	1.3
143.08592	1.2
145.10115	1.7
147.08018	1.2
147.11700	3.3
149.09610	1.3
151.03879	0.9
153.01810	9.4
157.09999	0.8
159.11673	1.4
159.45287	0.7
161.09575	0.8
165.12756	1.6
167.07054	1.3
173.13242	0.7
175.10828	0.8
183.02881	2.3
183.13800	1.5
201.16438	0.8
217.05098	0.7
228.04121	1.4
229.04927	2.6
229.14317	2.0
231.02690	0.6
245.04446	1.2
246.05209	1.6
253.14346	2.4
257.04440	2.3
273.03906	1.5
274.04669	4.3
285.03958	4.6
287.05518	15.4
287.08871	1.2
299.08282	1.2
302.04199	14.1
303.04532	0.7
314.99838	0.7
317.06528	100.0
318.06937	3.5
327.19699	0.8
329.09290	1.5
431.12201	1.5
449.18271	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1076
Annotation	Kaempferol-3-Glucoside
Peak:m/z	Relative Intensity
53.03931	0.1
53.71587	0.1
55.01891	0.1
56.05009	0.2
57.03427	0.1
58.09320	0.1
61.02924	0.1
65.03928	0.1
67.01862	0.1
68.99784	0.7
69.03431	0.6
70.06570	0.5
71.04981	0.1
72.08144	0.3
73.58132	0.1
79.05496	0.2
81.03407	0.2
82.17345	0.1
84.08121	0.2
85.02892	1.9
86.09689	0.4
87.04444	0.1
91.03905	0.1
91.05435	0.1
93.07078	0.1
97.02867	0.5
99.04430	0.2
103.05477	0.1
105.03360	0.5
107.04939	0.3
109.02879	0.5
110.07122	0.2
111.00798	0.8
111.04462	0.2
115.05486	0.1
120.08064	0.1
121.02856	3.3
125.85529	0.1
127.03897	0.7
129.10269	0.1
131.52892	0.1
133.02847	0.5
135.04436	0.2
137.02325	1.0
141.06868	0.1
143.03351	0.2
145.04921	0.2
145.06496	0.3
147.04382	0.7
151.03874	0.1
153.01810	4.8
157.06494	0.5
161.05983	0.1
165.01816	2.2
171.04440	0.3
183.02882	0.9
185.05963	0.7
189.05405	0.2
197.05980	0.2
201.12285	0.1
203.03389	0.2
212.09288	0.1
213.05426	1.7
229.04878	0.1
231.06458	0.8
241.04906	1.1
241.13315	0.1
243.06589	0.1
258.05249	1.4
259.05954	0.5
269.04462	0.3
269.12766	0.4
287.05463	100.0
288.05795	3.1
303.05087	0.2
311.05396	0.1
329.06412	0.3
449.10678	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	449.1076
Annotation	Kaempferol-3-O-glucoside
Peak:m/z	Relative Intensity
53.03928	0.1
57.03437	0.2
60.12905	0.1
61.02907	0.2
68.99780	0.7
69.03414	0.4
69.74406	0.4
69.74815	0.2
72.08158	0.1
72.79213	0.1
79.05456	0.2
81.03414	0.2
81.07044	0.1
85.02898	1.7
86.09684	0.2
87.04431	0.2
95.04944	0.1
97.02893	0.2
98.20796	0.1
103.05495	0.1
105.03394	0.4
107.04954	0.6
109.02869	0.2
111.00783	1.0
111.04419	0.3
113.51749	0.1
119.04987	0.1
121.02853	3.3
127.03904	0.6
129.07082	0.1
133.02843	0.6
137.02339	1.1
145.04858	0.2
145.06458	0.2
147.04346	0.8
153.00569	0.2
153.01810	4.7
157.06429	0.5
161.05991	0.2
165.01822	2.1
171.04376	0.3
183.02870	1.2
185.05925	0.5
197.06059	0.4
203.03290	0.1
203.07059	0.2
213.05440	1.8
229.04980	0.2
231.06413	0.7
241.04874	1.0
243.06496	0.2
258.05203	1.6
259.06024	0.8
269.04489	0.4
284.01678	0.1
287.05466	100.0
288.05798	3.5
315.13403	0.1
316.13910	0.1
329.06580	0.3
431.17938	0.4
449.10773	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1074
Annotation	Kaempferol-3-Glucoside
Peak:m/z	Relative Intensity
57.03424	0.5
61.02922	6.3
66.32495	0.4
68.99759	0.4
69.03431	1.0
70.07742	2.2
70.08109	0.8
73.02899	1.7
85.02905	5.9
85.71024	0.5
91.03953	3.4
97.02879	3.0
98.20858	0.6
111.00784	0.6
121.02860	2.7
127.03852	0.7
137.02332	1.2
145.04942	0.6
153.01794	5.5
157.06384	0.7
165.01831	2.3
179.67818	0.5
183.02878	1.1
213.05403	1.3
231.06500	0.6
241.04871	1.0
244.09572	0.9
258.05228	1.1
259.05978	0.6
287.05472	100.0
288.05765	4.0
299.05200	0.5
353.06671	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1078
Annotation	Kaempferol-3-Glucoside
Peak:m/z	Relative Intensity
53.03930	0.7
55.01862	0.6
57.03417	0.9
59.95179	0.2
61.02923	1.6
64.39232	0.2
68.99773	1.0
69.03086	0.3
69.03427	3.6
70.06567	0.2
70.08172	1.0
71.04955	0.4
73.02913	0.5
75.08544	0.2
78.50573	0.2
79.05496	0.3
81.03401	1.7
85.02901	8.9
86.09683	0.8
87.04476	0.3
91.03943	0.5
95.05007	0.2
97.02879	2.8
99.04455	0.4
105.03376	0.5
107.04937	0.4
107.08570	0.2
109.02885	1.3
111.00791	0.9
119.08574	0.3
120.08115	0.3
121.02860	3.2
127.03904	1.9
133.02821	0.7
137.02332	1.0
141.44980	0.2
145.04945	1.2
145.06483	0.3
147.04407	0.7
153.01822	5.4
155.61737	0.2
157.06491	0.7
161.05940	0.3
165.01840	1.9
171.04373	0.4
177.05418	0.2
182.23119	0.2
183.02901	0.9
185.05980	0.7
213.05444	1.6
231.06508	0.7
241.04912	0.6
258.05240	1.3
259.05978	0.4
270.05197	0.2
287.05481	100.0
288.05801	3.2
329.06702	0.3
399.65030	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.2145
Annotation	Isoasatone
Peak:m/z	Relative Intensity
52.39221	0.7
55.05508	0.8
63.75441	0.6
68.99784	1.0
71.53190	1.4
73.93049	0.7
75.33085	0.6
77.00881	1.2
79.05486	1.6
81.07050	1.6
93.07008	0.9
95.01937	0.8
95.08609	0.9
105.06996	1.0
119.04971	0.9
139.00243	1.9
139.47276	0.9
139.78169	0.7
162.06764	0.7
185.06551	1.0
203.07492	0.8
241.04921	4.8
243.14415	4.5
261.15494	1.3
269.04413	5.8
270.04932	0.8
275.20084	2.6
281.12399	0.8
287.05447	2.0
315.19235	1.9
333.20282	6.3
351.20157	10.1
374.21808	1.6
403.20892	4.2
449.21420	100.0
450.21796	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	449.1076
Annotation	Kaempferol-3-Glucoside
Peak:m/z	Relative Intensity
53.03941	0.2
53.78241	0.2
55.01860	0.3
57.03420	0.7
59.67760	0.2
61.02924	5.9
63.86841	0.2
65.03947	0.2
67.05496	0.3
68.99776	0.8
69.03421	1.5
70.06582	0.6
70.70293	0.4
70.70619	0.2
71.04978	0.4
72.08152	0.2
73.02917	1.5
74.23180	0.2
79.05467	0.4
81.03412	0.8
81.07056	0.5
83.01364	0.2
83.04922	0.2
84.08110	0.3
85.02897	4.9
86.09708	0.7
91.03943	2.8
91.05461	0.3
93.07022	0.3
95.04980	0.2
95.08599	0.4
97.02887	2.8
99.04446	0.5
103.03903	0.3
105.03378	0.4
105.07043	0.3
107.04957	0.5
107.08613	0.2
109.02886	0.5
109.10108	0.2
111.00790	0.8
111.04414	0.3
119.14204	0.2
120.08070	0.2
121.02866	3.4
121.10120	0.2
123.04427	0.2
127.03895	1.1
131.08583	0.2
131.27794	0.2
133.02824	0.7
136.68265	0.1
137.02344	1.0
140.39619	0.2
145.04927	0.6
145.06473	0.4
146.69666	0.2
147.04405	0.7
153.01823	5.0
157.06453	0.5
158.21727	0.2
159.11740	0.2
165.01826	1.6
167.06963	0.2
170.84174	0.2
171.04315	0.2
183.02960	1.2
185.06058	0.4
197.06075	0.3
203.07059	0.3
213.05498	1.2
231.06552	0.7
241.04840	1.0
258.05243	1.1
259.05969	0.4
269.04443	0.4
269.12869	0.5
287.05478	100.0
288.05859	3.5
299.05469	0.9
315.13272	0.5
317.06708	0.3
322.90054	0.2
329.06656	0.7
353.06503	0.4
371.10440	0.2
449.10458	0.4
449.19604	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.3056
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07076	8.1
58.06584	2.0
58.52430	0.6
60.90506	0.6
62.30747	0.6
70.06589	20.7
71.08607	3.2
71.52590	0.8
72.08149	1.1
88.07623	23.1
91.05475	2.9
93.49708	0.6
97.38642	0.7
98.82680	0.8
102.09170	18.3
104.02628	1.8
118.04142	0.8
119.04919	1.5
121.02859	0.9
132.02065	8.1
136.01547	7.2
138.10216	0.7
147.04404	28.6
148.05107	2.5
149.02332	2.2
159.26442	0.6
175.03896	53.3
176.04475	3.2
180.04150	12.7
191.07011	2.6
193.04971	1.8
212.23767	0.9
219.06506	88.5
220.06888	2.2
256.26337	52.8
257.26657	2.2
259.98523	0.8
269.88742	0.7
282.63132	0.7
359.17117	1.6
448.30554	100.0
449.30920	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	449.1077
Annotation	Kaempferol-3-O-glucoside
Peak:m/z	Relative Intensity
56.05019	0.5
57.03418	0.2
58.40639	0.1
61.01128	0.2
61.02910	0.2
62.39611	0.2
65.03936	0.3
65.54372	0.1
68.99784	0.6
69.03428	0.8
69.07058	0.6
70.06586	2.2
71.05009	0.2
71.52177	0.2
71.52624	0.2
72.08154	1.2
73.02918	0.2
74.06064	0.2
79.05476	0.5
79.49294	0.1
80.05046	0.2
81.03400	0.5
81.07031	0.4
84.04486	0.5
84.08125	0.6
85.02900	2.4
86.09698	2.0
87.04429	0.2
91.05457	0.8
93.07034	0.3
93.38351	0.2
94.06560	0.4
95.04953	0.3
97.02876	0.6
97.06517	0.3
102.05506	0.2
103.03960	0.2
104.05290	0.5
105.03371	0.7
105.07052	0.2
107.04938	0.5
109.02222	0.2
109.02831	0.9
110.07155	0.4
111.00815	0.9
116.04949	0.3
116.98595	0.3
118.06516	1.6
119.07329	0.4
120.08102	2.0
121.02859	3.2
121.06464	0.2
122.06020	0.9
123.04447	0.2
123.08030	0.2
124.07588	0.7
127.03906	0.6
129.02254	0.2
129.10237	0.3
131.77029	0.1
132.07994	0.2
133.02832	0.6
134.06004	0.2
134.99651	0.1
135.04404	0.4
136.07576	0.7
137.02321	0.9
137.05923	0.2
140.07045	1.7
141.06964	0.3
142.08607	0.4
145.04929	0.2
145.06470	0.2
146.05992	2.5
147.04384	0.7
147.06790	0.5
147.07925	0.1
148.07559	2.8
153.01804	4.4
153.03001	0.3
154.08604	0.8
157.06456	0.7
164.07050	2.7
165.01834	2.2
166.08640	0.2
167.06995	0.6
171.04443	0.3
177.05449	0.5
183.02936	1.0
185.05923	0.5
185.09244	0.2
199.09933	0.2
203.07068	0.3
203.10373	0.3
213.05421	1.9
227.09641	0.3
231.06396	0.9
241.04985	1.1
241.13261	0.3
242.11745	0.9
243.14941	1.0
245.10612	0.3
258.05157	1.4
259.06024	0.5
269.04550	0.2
269.10486	0.4
269.12860	1.2
270.11160	1.8
287.05478	100.0
287.13901	6.2
288.05804	3.2
290.10165	0.2
305.14908	1.8
308.11346	0.5
329.06497	0.3
382.45450	0.2
389.14603	0.3
449.10687	2.3
449.19528	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.2175
Annotation	Unknow
Peak:m/z	Relative Intensity
51.41430	1.9
53.03931	8.6
55.01880	9.4
55.05504	14.3
57.03425	6.3
61.02921	3.8
67.05487	6.8
68.99786	5.6
69.03420	27.9
69.07055	7.5
69.21056	4.3
69.21449	21.2
70.06596	12.5
71.04977	7.3
72.08154	2.9
73.02919	10.1
79.05481	11.0
79.94368	1.8
81.03406	32.2
81.07050	9.6
83.04957	5.0
84.04462	1.9
84.08131	4.3
85.02895	80.1
86.09715	11.1
87.00818	26.0
91.03949	2.7
91.05455	18.9
93.07033	13.3
95.04969	6.6
95.08598	8.5
97.02878	29.5
97.06517	7.4
99.04450	16.3
103.03937	3.5
103.05447	2.6
105.01859	24.6
105.06303	3.1
105.07016	63.3
107.08574	33.5
108.08987	1.9
109.02872	24.8
109.06527	3.9
109.10154	5.4
110.07151	2.7
115.03974	2.7
115.05422	2.6
115.46935	2.0
117.01842	3.6
117.06991	3.7
119.08566	50.7
119.09369	3.9
120.08102	4.3
121.06486	2.3
121.10151	7.3
123.11707	2.1
125.06034	3.5
127.03899	55.4
127.04822	3.6
129.01852	2.0
129.06970	3.6
129.10252	2.8
131.08549	7.3
133.10115	22.1
135.11699	4.8
137.13264	2.5
143.07013	5.9
145.04945	26.5
145.10078	11.1
147.11673	100.0
148.07559	2.1
149.09607	2.6
149.13220	9.0
151.11143	2.6
153.01747	2.3
157.10048	2.9
158.58992	1.9
159.02867	20.8
159.11655	6.0
161.13287	2.1
165.12720	3.3
169.10043	2.3
171.11597	3.1
173.13281	5.7
175.11229	2.0
177.03973	2.2
180.90741	2.1
187.11101	2.3
189.04042	2.8
189.12756	2.3
191.10899	2.1
205.12257	4.2
213.03949	2.5
215.10718	2.0
231.05006	9.4
233.15317	5.0
235.16795	2.3
251.16270	3.5
264.49902	1.8
287.05496	32.4
287.13885	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	448.2174
Annotation	Unknow
Peak:m/z	Relative Intensity
52.80882	3.9
53.03934	4.5
55.01874	6.6
55.05503	8.0
56.96525	4.6
67.05487	11.8
69.03413	14.3
69.07051	16.1
70.06587	7.5
70.18444	16.2
71.04997	6.9
73.02885	8.0
73.85678	3.9
78.91574	4.9
79.05476	16.7
81.03380	7.1
81.07047	31.9
83.04990	21.6
84.08093	6.4
85.02880	9.2
86.09702	10.3
91.05466	21.1
93.07017	33.0
95.04945	18.2
95.08589	14.8
97.02892	7.0
97.06516	20.3
99.04433	8.7
103.05488	4.5
105.07018	43.6
107.04950	13.1
107.08565	28.7
109.06498	21.0
117.07015	12.4
119.04946	10.4
119.08554	12.4
119.80691	3.9
120.08089	4.4
121.06513	27.7
121.10084	5.6
125.05953	25.9
130.07790	5.6
131.08557	13.1
133.06442	9.7
135.08060	6.9
135.11655	13.1
137.05986	21.1
139.07500	10.9
143.07002	25.7
145.06418	7.9
145.10101	62.0
146.10498	4.7
147.08029	6.3
147.11679	11.9
151.07555	5.4
153.46576	4.7
158.07320	5.4
159.08029	5.8
159.11655	38.5
161.13214	5.7
163.11166	70.0
169.10126	8.7
173.09584	43.9
177.12666	5.5
181.12231	13.3
187.11191	47.3
191.10637	17.1
197.09619	12.0
205.12131	34.2
209.11577	6.9
215.10628	57.3
227.12775	14.0
233.11711	100.0
251.12799	90.0
269.13779	14.4
270.05188	19.8
271.05505	44.9
285.07544	22.3
286.07883	53.7
287.05463	99.3
287.08493	8.1
303.04593	5.1
317.06580	28.0
340.96652	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	448.2175
Annotation	Unknow
Peak:m/z	Relative Intensity
51.41430	1.9
53.03931	8.6
55.01880	9.4
55.05504	14.3
57.03425	6.3
61.02921	3.8
67.05487	6.8
68.99786	5.6
69.03420	27.9
69.07055	7.5
69.21056	4.3
69.21449	21.2
70.06596	12.5
71.04977	7.3
72.08154	2.9
73.02919	10.1
79.05481	11.0
79.94368	1.8
81.03406	32.2
81.07050	9.6
83.04957	5.0
84.04462	1.9
84.08131	4.3
85.02895	80.1
86.09715	11.1
87.00818	26.0
91.03949	2.7
91.05455	18.9
93.07033	13.3
95.04969	6.6
95.08598	8.5
97.02878	29.5
97.06517	7.4
99.04450	16.3
103.03937	3.5
103.05447	2.6
105.01859	24.6
105.06303	3.1
105.07016	63.3
107.08574	33.5
108.08987	1.9
109.02872	24.8
109.06527	3.9
109.10154	5.4
110.07151	2.7
115.03974	2.7
115.05422	2.6
115.46935	2.0
117.01842	3.6
117.06991	3.7
119.08566	50.7
119.09369	3.9
120.08102	4.3
121.06486	2.3
121.10151	7.3
123.11707	2.1
125.06034	3.5
127.03899	55.4
127.04822	3.6
129.01852	2.0
129.06970	3.6
129.10252	2.8
131.08549	7.3
133.10115	22.1
135.11699	4.8
137.13264	2.5
143.07013	5.9
145.04945	26.5
145.10078	11.1
147.11673	100.0
148.07559	2.1
149.09607	2.6
149.13220	9.0
151.11143	2.6
153.01747	2.3
157.10048	2.9
158.58992	1.9
159.02867	20.8
159.11655	6.0
161.13287	2.1
165.12720	3.3
169.10043	2.3
171.11597	3.1
173.13281	5.7
175.11229	2.0
177.03973	2.2
180.90741	2.1
187.11101	2.3
189.04042	2.8
189.12756	2.3
191.10899	2.1
205.12257	4.2
213.03949	2.5
215.10718	2.0
231.05006	9.4
233.15317	5.0
235.16795	2.3
251.16270	3.5
264.49902	1.8
287.05496	32.4
287.13885	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	447.2502
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	3.2
55.01854	6.3
55.05268	2.4
55.05505	25.1
57.03430	35.4
57.07072	10.4
67.05500	45.8
68.05788	2.9
69.07061	25.4
69.10349	2.0
70.65871	3.5
70.66212	3.6
71.08623	5.1
79.05484	31.9
81.06586	3.9
81.07047	59.4
83.08609	17.0
85.06612	2.1
85.10146	2.1
91.05473	13.5
91.78495	2.3
93.07029	39.1
95.04932	3.4
95.08598	45.2
97.06543	2.0
97.10139	8.8
98.98434	27.6
105.07005	7.9
107.08569	22.0
109.10146	20.7
113.00008	100.0
117.07076	2.6
119.08559	10.2
121.10131	18.7
123.11699	6.8
131.08553	7.5
133.10115	7.5
135.11678	12.7
136.99966	31.0
137.13243	3.1
139.11024	2.1
145.10083	6.0
147.11647	6.6
149.02362	4.1
149.13243	5.5
155.01028	25.2
159.11700	6.0
161.13240	6.3
163.14835	5.9
169.02591	19.2
173.13197	3.0
175.14790	3.7
187.03673	10.2
187.14812	3.5
193.02620	5.4
211.03679	3.8
237.22095	6.7
240.47507	2.2
243.21106	9.9
261.22101	18.5
291.23102	3.3
311.25784	21.2
317.24631	7.2
332.85080	2.5
335.25757	86.6
336.26089	5.1
384.22067	2.2
429.24036	2.2
447.24985	41.9
448.25061	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	447.3467
Annotation	Gibberoketosterol
Peak:m/z	Relative Intensity
53.03939	0.8
55.01863	0.6
55.05505	14.7
57.03406	0.9
57.07069	9.0
59.35318	0.4
67.01849	2.0
67.05501	5.7
69.03424	0.6
69.07063	27.5
69.59251	0.4
71.08635	3.9
71.26896	0.6
79.05481	1.8
81.07048	10.8
83.04965	1.6
83.08608	16.0
85.02864	0.5
85.10194	2.3
91.05446	3.2
93.07030	6.7
95.04994	0.8
95.08595	12.3
97.10160	10.1
105.07001	2.2
107.08574	1.5
109.06499	3.0
109.10139	6.0
111.04440	0.8
111.08074	0.8
111.11708	4.0
119.08562	1.6
121.06489	2.5
121.10110	1.3
123.08050	2.6
123.11710	3.4
125.05978	0.5
125.13277	2.3
127.03934	0.5
131.08588	1.1
133.06461	1.0
133.10100	1.5
135.08047	2.6
137.05965	11.3
137.09575	0.7
137.13216	2.5
138.06656	0.8
139.03838	1.5
139.07507	4.0
139.14763	0.6
141.05489	0.8
143.08554	1.3
145.41452	0.5
147.08064	2.3
147.11633	0.9
149.05992	4.6
149.09550	1.0
149.13272	0.5
151.07532	25.6
151.14789	0.8
157.10098	1.6
159.08055	2.1
161.05984	3.9
161.09612	1.7
161.13216	0.6
163.07547	1.1
163.11142	0.6
163.14853	0.8
165.05460	8.8
165.09113	8.0
165.16341	0.6
167.07022	100.0
168.07379	1.4
171.11679	0.8
173.09540	0.8
174.06825	0.7
175.07542	4.3
175.11189	1.1
177.05592	0.5
177.09126	4.2
178.06259	0.6
179.07043	3.8
179.10658	2.8
179.17908	0.9
181.08569	4.3
185.09550	0.9
187.11153	1.1
188.08359	1.1
189.09100	5.4
189.12733	0.8
191.07056	3.0
191.10635	2.4
192.07736	1.5
193.08582	6.7
195.10184	0.6
201.09111	1.8
203.10666	4.5
203.14355	0.5
205.08588	12.2
205.12254	2.2
206.09467	0.8
207.10129	9.8
215.10588	1.4
215.84184	0.5
217.12199	2.6
219.10155	5.8
219.13701	0.6
221.11681	4.1
229.12236	0.7
231.13809	1.1
233.11684	2.3
235.13255	1.8
247.13300	1.5
249.14873	1.2
257.15527	0.6
263.16434	0.7
277.18033	1.0
285.18304	0.7
291.19504	1.1
303.19397	0.7
305.21100	0.8
316.44598	0.6
317.21164	0.7
319.22632	1.3
337.26730	0.5
367.08972	0.5
373.27136	0.6
383.33478	0.6
401.34171	1.4
411.32693	4.0
429.33609	13.7
430.34192	0.8
447.34689	16.4
448.35245	0.7
465.13672	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.1759
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03963	2.1
57.07078	1.9
70.06591	2.5
71.04450	3.9
79.05502	8.5
80.05003	2.3
81.05788	3.3
81.07043	6.3
83.04942	2.0
85.23386	1.7
85.38985	1.8
91.05431	2.0
93.07039	4.6
94.06595	1.7
95.01341	1.7
95.04935	1.9
95.08595	1.7
96.08121	13.7
103.05469	4.7
106.06535	2.9
106.72265	1.6
107.08585	2.0
109.10139	2.8
118.06514	11.7
119.07317	22.2
119.08572	2.1
120.08087	37.0
124.07578	50.5
130.06540	1.8
132.08090	4.6
133.05228	4.5
133.10144	3.2
134.05962	2.7
146.05989	15.3
147.06776	31.4
147.07893	2.0
147.11855	1.5
148.07565	50.2
148.08733	3.3
149.02292	3.6
149.08350	5.0
151.07526	6.9
155.57306	1.7
158.06055	1.6
159.11783	1.6
160.07558	5.9
162.05486	5.6
167.08463	1.8
176.07063	23.1
177.07889	2.7
186.05467	4.5
186.09177	2.2
188.07036	3.5
201.10281	2.3
203.66281	1.7
204.06577	2.9
205.07286	2.7
218.08139	1.6
228.08931	2.1
229.13402	7.7
232.05928	8.2
234.07607	2.9
242.10437	3.3
243.11371	6.3
243.14957	2.6
244.15767	2.2
255.11253	2.8
256.12021	2.8
257.12827	100.0
258.13083	2.6
271.14362	32.0
272.15189	36.1
273.15579	2.8
294.09637	10.9
296.11185	4.4
306.09708	6.2
322.09134	23.2
324.10767	24.9
338.78543	1.6
361.02698	2.3
429.16635	1.8
447.17819	16.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.1283
Annotation	Cytisoside
Peak:m/z	Relative Intensity
51.02390	0.7
53.03943	0.8
55.05497	1.3
57.03432	1.0
58.10959	0.7
58.41870	0.7
61.02913	1.5
67.05499	2.6
69.03424	1.8
69.07063	1.5
70.06593	5.2
71.04993	0.9
71.52803	1.1
71.53213	0.9
72.08138	2.3
73.02908	1.0
78.06359	0.7
79.05479	1.7
81.03435	1.3
81.07053	4.3
83.04967	1.3
84.04472	1.4
84.08141	2.0
84.66941	0.7
85.02905	3.9
86.09696	7.6
88.31493	0.9
91.05822	1.6
93.07037	2.5
95.04978	1.9
95.08600	2.1
97.02891	1.4
99.04391	0.7
103.03930	2.6
105.03376	10.7
105.07024	2.2
107.08595	2.5
109.02890	1.0
109.10149	2.3
110.09679	0.8
119.05007	0.9
120.08104	2.2
121.10123	2.3
127.03943	1.0
129.10204	1.0
130.06541	1.8
137.05966	1.6
139.07559	0.8
146.05991	2.0
147.11674	1.0
149.02332	1.2
151.07542	1.3
159.09177	1.6
166.64262	0.9
167.07045	1.6
169.05222	0.8
169.10002	0.9
181.01335	1.3
182.02142	1.7
195.02892	1.9
198.01561	3.1
198.06732	5.1
199.02394	2.2
199.07347	0.8
200.03191	1.4
201.12555	1.1
210.06874	0.8
213.03874	1.0
225.04100	1.0
226.06404	0.9
235.06058	1.7
238.06268	2.5
239.06973	1.3
241.04872	1.3
247.05914	1.0
251.06917	1.2
252.07796	2.3
253.04887	1.4
254.05751	3.0
255.06561	3.2
256.07355	0.9
266.05740	5.2
267.06409	1.8
269.04535	2.2
270.05191	5.0
273.03928	1.4
279.06500	1.6
280.07391	1.4
282.05203	26.0
283.05969	45.8
284.06760	56.0
285.07376	6.4
291.04855	1.1
294.05234	5.9
295.05991	6.0
296.06784	4.8
297.07544	66.1
298.08127	1.5
299.13614	0.9
303.04849	1.5
304.07568	2.5
307.05966	5.0
308.06693	2.3
309.07538	15.3
311.05713	1.7
311.09177	4.7
312.06363	1.8
316.05545	1.3
316.16403	1.3
321.07486	2.2
322.08231	4.0
323.05328	2.1
323.09128	3.1
325.07089	2.4
327.08600	100.0
328.08969	3.9
336.06299	3.5
337.06961	1.4
337.10629	4.8
339.08624	1.8
348.06140	1.0
349.07147	0.9
351.08554	16.3
357.09479	3.3
363.08624	9.1
365.10226	3.2
369.09689	1.3
381.09720	8.4
393.09653	10.6
411.05301	1.5
411.10696	26.3
412.10745	1.5
429.11786	42.3
430.11984	2.3
447.12732	21.6
447.18668	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	446.3107
Annotation	Unknow
Peak:m/z	Relative Intensity
71.52677	14.6
81.07041	15.6
87.67031	8.6
87.73698	8.3
97.97659	8.1
106.12097	9.4
109.06536	8.3
111.04431	17.0
119.08586	15.3
121.10117	10.0
137.05959	86.2
147.11641	11.7
149.02359	32.2
193.04965	28.7
222.84267	8.4
229.07773	9.6
231.17627	10.1
249.12752	8.0
249.18600	12.0
277.18011	72.9
295.19012	22.7
311.20889	9.7
325.45502	10.1
349.16922	14.8
351.21616	100.0
383.24249	28.6
385.09143	13.2
419.40277	9.0
429.11874	39.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	446.2016
Annotation	Unknow
Peak:m/z	Relative Intensity
54.06942	0.6
55.05502	0.7
61.84919	0.7
71.30333	1.0
81.07071	1.2
85.02899	1.2
86.09683	0.8
91.05388	4.6
92.05680	0.8
93.07030	1.9
105.07024	21.0
106.07351	0.9
107.04950	1.1
107.08578	0.9
108.65659	0.8
115.05498	0.6
117.07000	1.3
118.07770	1.4
121.06494	8.0
131.08548	2.4
133.10130	13.3
135.08046	1.4
145.04874	0.6
151.11177	9.9
161.10735	5.5
163.11165	100.0
164.11490	1.7
217.08983	0.7
335.57520	0.6
446.20810	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.1703
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.3
55.01862	1.9
56.60817	0.8
57.03424	0.9
69.03417	6.4
70.06588	6.5
71.04465	2.0
71.04962	1.2
72.08146	5.2
73.04735	1.6
75.59379	0.9
76.91730	0.8
79.05499	1.2
81.03395	5.1
81.07065	1.7
84.04498	2.8
84.08163	1.4
85.02898	14.4
85.06543	2.3
86.09697	21.7
87.00819	5.5
88.62616	1.0
91.05441	3.0
91.05865	2.3
92.14684	1.0
93.07008	6.3
95.04965	2.6
97.02890	3.3
99.04446	2.1
102.05542	2.0
105.01869	3.4
105.03382	1.5
105.07030	6.8
105.66368	0.9
107.08580	16.6
109.02876	5.1
109.06549	0.8
109.10153	2.1
119.08584	2.6
120.08115	1.0
121.06496	1.7
123.04403	1.2
123.11694	0.8
127.03899	8.8
131.08575	1.3
132.10187	1.1
133.10120	16.9
134.86992	1.0
135.08002	0.9
135.11684	15.9
137.05972	1.3
137.09547	1.4
145.04935	1.8
151.11272	1.5
157.13339	1.5
161.09593	10.3
167.05525	1.5
179.07030	1.0
179.10651	30.3
185.12900	1.1
197.11708	100.0
198.12076	3.1
203.13962	1.3
215.13765	2.0
218.12694	0.9
231.05075	1.3
243.13338	2.0
267.05414	0.8
295.65756	1.0
359.02725	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	445.1703
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	1.4
55.01849	0.9
55.05500	0.6
57.03419	0.8
59.04993	0.4
61.02905	0.5
67.05484	0.4
69.03422	4.1
69.07072	0.6
70.06577	2.0
70.77357	1.4
71.04986	1.0
72.08150	2.2
73.02915	0.5
73.04723	0.5
79.05479	1.4
79.98116	0.4
81.03407	3.5
81.07039	1.0
84.04485	0.5
84.08134	0.9
85.02895	9.4
86.09689	4.8
87.00816	4.0
91.05390	3.6
93.07031	6.4
94.75588	0.4
95.04954	1.5
95.08598	0.9
95.58006	0.4
97.02884	3.7
99.04412	1.5
105.01876	3.5
105.07013	6.1
107.08583	19.0
107.09313	1.0
109.02862	6.0
109.06516	1.0
109.10133	1.8
118.50227	0.4
119.04909	0.9
119.05962	0.4
119.08560	2.1
120.08096	1.1
121.06470	1.5
123.04401	0.8
123.08091	0.5
123.11700	0.7
127.03906	7.9
129.01790	0.5
133.10115	16.9
133.18417	0.5
135.11679	17.2
136.11957	0.6
137.05948	0.9
137.09595	1.1
138.73117	0.4
143.08594	0.6
145.04922	1.6
146.05988	0.5
146.07205	0.5
151.11169	1.8
159.02802	0.8
161.09596	10.3
179.10649	31.7
197.11708	100.0
197.75626	0.4
198.11964	2.8
213.03880	0.9
225.04230	0.5
231.04988	1.7
273.03421	0.4
359.02744	1.1
375.94852	0.5
417.16306	0.5
445.16138	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.2273
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	8.3
55.01871	8.3
55.05498	21.2
57.03430	23.8
61.02917	29.4
66.62926	7.0
67.05492	64.8
69.03417	41.8
69.07055	27.8
70.06588	23.3
71.05003	15.2
71.53159	6.4
73.02917	16.5
75.62456	7.7
79.05486	89.3
81.03401	27.2
81.07056	76.8
83.04957	31.7
83.08594	14.2
84.04500	8.8
84.08136	15.1
85.02913	56.8
85.06521	10.8
86.09700	27.1
91.03953	17.3
91.05473	97.9
93.07040	99.4
95.04964	32.8
95.08607	49.4
97.02870	34.9
97.06512	8.6
99.04433	12.2
101.02383	11.1
105.07027	68.9
107.04944	17.5
107.08574	41.0
109.02911	9.6
109.06495	13.0
109.10149	25.1
117.07005	21.3
117.41236	7.1
119.08598	45.8
120.08078	17.8
121.06487	16.8
121.10121	18.4
123.08086	9.8
123.11711	13.6
127.03895	19.9
128.06213	10.4
129.07004	27.4
131.08546	17.4
133.10130	28.0
135.08070	13.5
135.11679	15.1
137.05969	14.7
137.09599	26.1
143.08511	14.9
145.10123	24.6
147.08110	12.3
147.11702	58.3
151.07535	46.3
157.10081	11.6
159.11647	13.0
161.09601	9.8
161.13260	22.6
163.11211	8.9
165.09103	100.0
167.06999	38.1
171.11646	42.7
173.09613	11.0
175.07576	13.4
177.09117	8.9
189.12787	19.8
191.10620	9.5
201.09091	8.5
207.13742	43.2
239.96658	8.4
259.17130	9.1
281.17450	61.3
287.16437	9.9
339.12250	16.4
377.01871	8.6
383.14822	21.1
443.27451	14.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	444.2589
Annotation	Unknow
Peak:m/z	Relative Intensity
53.23689	2.8
55.01859	2.6
55.05500	12.0
64.99784	2.7
67.05498	21.9
69.07058	8.4
69.73595	9.9
69.74002	6.2
71.32854	2.8
79.05489	21.7
80.64465	2.5
81.03411	4.5
81.07045	54.8
83.08601	7.4
91.05455	14.8
93.07053	15.0
95.04975	7.2
95.08601	15.6
97.06528	4.1
105.07014	20.9
107.04936	10.0
107.08598	11.2
109.06522	20.3
109.10150	9.1
111.08018	3.2
117.06974	3.2
119.08562	14.8
121.06488	3.9
121.10104	8.3
123.08061	6.2
129.07004	3.9
131.08568	7.0
133.10104	11.1
135.11676	5.5
137.09575	4.1
145.10097	7.7
147.11708	16.8
147.32491	2.6
149.09604	10.5
149.13234	3.5
157.10104	4.6
159.11609	6.4
161.13159	2.9
163.11163	6.0
173.13115	3.4
175.11122	3.1
193.12296	6.8
229.19417	3.2
239.17896	3.4
247.20610	4.0
257.18958	10.1
275.20032	100.0
293.21011	34.3
326.60638	2.9
409.22198	9.4
426.72989	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	443.2274
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	6.8
55.01853	7.1
55.05509	37.4
57.03426	9.5
59.04985	10.7
60.04478	2.9
61.02909	10.1
67.05493	7.1
69.03426	39.6
69.07047	6.4
69.18094	32.6
70.06587	44.4
71.04987	7.5
72.08144	9.3
73.02895	5.9
79.05476	11.1
81.03403	14.5
81.07053	15.5
83.04975	44.8
84.04491	5.3
84.08121	17.2
85.02381	4.3
85.02898	87.2
85.06524	11.2
85.06969	2.6
86.03227	2.5
86.09719	18.1
87.04449	4.9
91.03951	3.5
91.05466	17.3
93.07021	16.1
95.04955	20.4
95.08597	5.4
97.02890	25.3
97.06496	6.0
99.04452	5.2
101.06015	27.0
103.03888	3.3
105.03405	4.6
105.07033	20.8
107.08578	20.9
109.02868	7.9
109.06493	13.9
109.10114	6.4
110.07124	4.9
117.06998	6.4
118.06554	3.2
119.08569	27.0
120.08092	2.7
121.06495	10.0
121.10121	21.5
122.06043	4.6
123.08067	6.1
124.88284	2.8
125.06007	4.9
127.03904	22.8
128.06293	3.6
129.06953	3.9
129.10217	7.2
130.44498	2.5
131.08533	5.8
132.08112	10.3
133.10117	16.0
135.08081	9.7
135.11693	4.7
136.07549	6.9
137.05981	6.1
137.09607	5.1
138.09103	5.1
143.08569	10.4
145.04971	18.1
145.06485	5.1
145.10110	16.9
147.08025	29.3
147.09166	16.9
149.09578	3.7
151.07524	5.1
157.10075	4.6
159.08020	7.5
159.11710	4.9
160.07568	6.1
161.09610	15.2
161.13362	2.9
163.11166	100.0
164.07025	4.2
164.11467	3.3
165.09122	5.3
171.11667	4.0
175.11118	4.5
177.05457	5.6
177.09053	10.0
178.08638	7.5
179.10687	6.1
181.12198	37.7
185.13239	7.7
187.11208	5.9
189.09119	7.1
195.02797	15.8
196.16704	3.0
197.12930	3.8
199.14717	2.9
201.12408	3.7
203.14224	8.9
205.12277	4.4
207.06520	3.2
207.10161	17.0
215.14014	5.1
223.13278	4.7
227.14276	5.0
233.15366	5.8
245.15337	23.1
263.16428	59.3
281.14883	13.1
281.17499	24.8
306.13251	4.2
341.85754	2.7
425.21356	5.4
430.06613	2.9
443.22275	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	444.2588
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01844	3.9
55.05514	20.6
67.05495	21.2
69.07059	11.5
71.26249	3.4
71.26600	4.7
79.05476	19.9
81.03381	6.2
81.07054	23.4
83.04964	7.9
83.08614	15.8
89.02374	3.2
91.05444	22.4
93.07030	21.3
95.04961	27.5
95.08585	16.8
95.91240	2.1
97.06519	7.6
97.10154	4.7
98.56718	2.2
105.07021	26.6
107.04913	8.3
107.08585	17.4
109.06482	4.7
109.10132	5.3
111.08071	3.4
117.06985	8.5
119.08573	25.5
121.06479	5.2
121.10135	14.5
123.08048	3.8
125.09593	2.7
129.06985	5.2
131.08543	9.7
131.31059	2.3
133.10098	18.3
135.08040	4.2
135.11671	7.3
136.20979	2.2
137.09572	5.6
141.06960	3.5
143.08553	4.8
145.08965	2.8
145.10092	20.4
147.11711	9.2
149.09593	19.9
149.13237	3.3
151.11201	4.4
153.15427	2.2
155.08536	3.5
157.10207	5.3
159.11647	9.4
161.09674	2.6
163.11165	22.4
169.10121	2.9
171.11731	2.5
175.11214	2.9
183.11697	3.5
189.11261	4.7
191.10452	2.7
195.10942	2.5
197.13284	3.1
223.13278	28.9
229.19518	2.9
239.17879	9.5
257.18921	13.1
270.16702	2.6
275.20038	100.0
293.21088	36.6
332.05389	2.4
364.99207	2.5
366.97336	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.1592
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03460	2.9
55.04247	2.5
56.96549	1.1
61.02925	0.7
69.03425	1.7
69.90981	1.3
69.91397	2.2
70.06596	1.1
73.02905	0.8
80.05008	1.1
81.03429	1.0
81.04533	20.1
82.05318	9.6
84.08114	0.8
85.02889	3.3
87.35345	0.6
97.02889	1.6
98.97572	1.0
108.05576	1.1
109.02879	0.7
110.07167	1.0
114.05484	1.1
122.07143	100.0
123.07927	98.1
124.08282	0.8
125.19389	0.7
127.03921	0.9
128.98576	1.0
144.04779	1.3
160.04271	2.0
165.07735	4.0
172.04202	1.5
175.06619	0.7
189.00854	0.7
219.01819	0.9
237.06172	0.7
252.38052	0.7
261.02979	0.7
279.06958	0.8
281.10663	61.3
282.10837	1.9
296.32584	0.7
323.11807	1.1
397.75577	0.7
443.15930	77.7
444.16275	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	443.2022
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	0.7
55.01865	0.8
57.03433	3.1
59.04969	0.4
60.04507	0.3
61.02925	3.0
69.03425	9.1
69.07062	0.4
70.06581	2.3
71.01345	0.7
71.04977	0.9
72.08133	1.1
73.02916	2.6
75.04442	0.4
75.18441	0.3
76.04033	0.3
81.03407	2.5
81.07072	0.3
83.01334	0.3
83.04968	0.4
84.04494	0.5
84.08127	0.9
85.02901	11.3
85.47137	0.3
85.52814	0.3
86.09711	2.0
87.04463	1.6
91.03938	0.4
91.05468	0.4
93.06997	0.3
95.05031	0.4
96.04423	0.3
97.02885	4.0
99.04450	2.2
100.11240	0.6
101.02391	0.6
103.03874	0.3
105.03365	0.6
109.02862	1.3
116.07079	0.4
117.05454	0.4
119.01898	0.3
119.61768	0.3
120.08088	0.5
122.06009	0.4
127.03902	2.5
129.10265	0.6
132.06816	0.9
136.07594	1.5
137.07854	0.5
145.04982	2.0
146.08365	0.7
147.09160	75.9
148.09511	1.2
159.08035	0.4
159.09190	0.6
160.09932	0.8
161.10756	0.5
163.06007	0.4
164.07063	0.5
177.09085	0.4
189.08810	0.3
189.10201	1.8
203.11769	0.6
219.11142	0.4
227.17456	0.7
244.08240	0.6
245.15540	0.3
263.13855	0.5
263.16357	0.5
266.07111	0.4
279.07071	0.4
281.14938	55.9
282.15305	1.5
323.15991	1.0
443.20227	100.0
444.14740	0.6
444.20447	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	443.1031
Annotation	Unknow
Peak:m/z	Relative Intensity
52.83428	1.8
56.96564	3.2
57.03434	4.6
62.65078	1.8
68.85889	2.0
69.03416	6.9
70.51394	1.8
73.02907	8.0
78.34174	1.9
85.02895	14.1
91.03949	2.1
91.05485	5.5
94.25758	1.8
95.43523	2.0
97.02881	6.7
98.21478	3.4
98.97596	7.9
101.00877	13.3
105.06984	2.1
107.04973	2.4
110.97571	3.8
113.00878	6.8
116.98544	2.2
119.01105	1.7
119.01908	36.9
119.04896	3.7
122.07134	2.5
123.07915	3.3
127.03902	6.4
128.98610	3.6
131.01883	33.9
137.02992	6.3
140.02338	2.9
143.01871	9.7
145.03471	2.7
145.04955	3.8
146.02330	3.3
146.99623	2.7
149.02890	6.8
155.01851	5.2
158.99602	4.1
161.02924	22.8
161.05945	2.8
163.74008	2.0
170.99684	4.7
173.02998	12.5
177.00713	4.4
177.05441	2.8
181.03491	3.0
182.03299	6.0
183.05037	2.2
185.02846	2.9
189.00758	5.7
191.03944	14.4
191.05496	3.7
195.05014	9.1
200.04454	7.4
201.00679	4.0
201.03859	3.8
202.04817	2.4
203.03854	2.1
205.03456	2.2
207.01437	2.0
207.04968	2.8
209.06587	20.0
213.06178	2.7
218.04053	2.5
219.01746	4.9
219.04987	27.8
220.05820	15.7
225.06218	2.1
227.07523	2.0
231.05032	7.9
233.06583	58.6
234.07010	2.5
235.04527	4.4
236.05417	2.3
237.06052	85.5
238.06250	4.3
239.06264	2.0
245.06644	23.6
249.06044	8.8
251.07642	24.4
252.07582	2.3
253.05542	4.8
255.07109	33.1
256.07336	2.2
261.03159	3.0
261.06061	24.6
263.07883	12.8
264.07806	2.5
272.06497	43.8
272.56781	7.8
273.06128	7.7
279.04300	3.4
279.07108	100.0
280.07312	5.3
281.04953	6.2
281.07303	6.3
291.07074	26.9
292.58112	2.4
293.04941	3.0
295.06653	7.8
297.08194	2.1
299.06281	3.7
305.05139	4.6
307.06549	2.4
307.25919	2.1
309.08221	7.5
323.06104	74.0
324.06332	7.6
335.06073	58.0
336.06326	3.6
341.03064	2.0
341.07101	44.9
342.07449	3.4
353.06970	5.6
359.08121	6.7
364.08749	2.8
443.16803	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.3725
Annotation	3beta-Hydroxyonocera-8(26),14-dien-21-one
Peak:m/z	Relative Intensity
52.34249	1.4
55.05491	2.7
67.05496	5.0
68.57555	1.6
69.07057	6.1
70.72184	1.8
70.72514	2.9
72.77050	1.3
78.58008	1.5
79.05488	2.1
81.07046	9.5
82.63168	1.4
91.05492	2.4
93.07044	4.4
95.04956	1.3
95.08617	14.0
97.06480	1.6
105.07021	3.1
107.08574	9.7
109.10128	8.7
111.08080	1.6
119.08577	8.0
121.06464	2.1
121.10129	9.7
123.11671	5.6
133.10132	5.1
135.08029	3.7
135.11682	7.3
137.13248	2.3
145.10121	2.9
147.11670	5.0
149.09679	7.9
149.13226	2.7
159.11732	1.8
161.13266	2.6
175.14911	2.3
177.16385	2.5
187.14902	2.3
189.16397	3.0
213.16508	1.9
215.17920	1.6
233.19176	1.9
235.16934	3.1
287.23886	2.2
441.37271	100.0
442.37549	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	442.1916
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	2.1
55.01852	1.9
55.05500	15.8
55.12628	1.4
57.03429	5.5
59.04995	2.1
61.02929	9.5
65.56442	1.3
69.03088	2.3
69.03427	28.5
70.06590	6.0
70.85429	1.7
70.85795	4.2
71.04971	2.6
72.08128	2.1
73.02907	4.6
73.15108	1.3
81.03404	8.4
81.07014	1.3
83.04975	50.2
84.04488	1.9
84.08145	1.8
85.02901	100.0
87.04459	2.8
91.03946	5.4
97.02291	2.5
97.02884	33.1
99.04442	6.9
101.06007	25.7
109.02882	11.6
110.07179	2.7
127.03905	34.6
136.07596	2.7
144.06555	2.3
145.04950	52.2
163.06012	11.8
167.06989	3.7
209.08099	5.8
213.08626	1.3
227.09137	4.5
245.10179	37.0
245.12578	2.1
280.11960	1.5
318.73242	1.4
379.12988	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.1729
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	0.9
55.05504	1.7
55.40301	0.7
61.11514	0.6
67.05488	2.6
69.03423	0.8
69.07041	1.7
70.06581	1.9
71.04339	1.5
71.04709	1.2
79.05469	2.2
81.03417	0.9
81.07051	3.7
84.08105	0.8
85.06542	0.9
86.09699	1.3
91.05470	1.9
93.07017	3.9
95.04949	1.4
95.08595	1.6
97.06516	1.2
99.04475	0.7
101.00832	0.7
104.48486	0.7
105.07018	2.3
107.08578	2.9
109.10161	2.7
117.07005	1.5
119.01910	2.2
119.04935	0.8
119.08566	2.2
120.08087	2.4
121.10105	1.3
123.08003	0.7
127.03905	0.8
129.10245	1.0
131.08539	0.9
133.10120	1.1
135.08040	1.4
135.11682	1.4
137.09621	1.8
143.01900	1.8
143.08575	0.9
145.10117	1.4
147.11646	0.7
147.18893	0.7
149.09602	1.1
151.07584	1.4
157.03447	1.5
159.11717	0.9
161.02945	3.7
161.09616	0.9
162.09082	1.0
165.09106	13.6
167.07080	1.2
169.90993	0.6
173.02823	0.8
175.04526	2.3
175.11089	0.7
175.14827	0.7
179.10638	0.7
184.07344	1.4
185.04301	1.1
185.07686	0.8
187.11151	0.8
189.12785	0.7
193.12093	2.1
203.03865	1.4
203.05486	1.0
203.10640	0.8
205.12260	1.3
215.03903	0.8
227.05217	1.0
245.06320	3.1
253.12788	1.9
271.04361	1.1
287.03705	4.9
289.05246	6.9
295.13950	2.3
355.17184	7.3
365.97318	0.8
379.17374	0.8
389.28366	0.7
397.18292	26.2
398.18546	1.2
441.17258	100.0
442.17709	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	441.173
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.8
54.52502	0.7
55.05495	1.8
59.90074	0.7
60.58805	0.6
67.05494	2.8
69.03415	1.4
69.07055	1.8
70.05798	0.6
70.06602	4.8
71.04979	1.3
71.52962	1.2
72.08138	1.0
79.05485	2.0
81.03414	1.6
81.07045	4.6
83.04976	1.8
83.08624	0.9
84.08109	1.7
85.02883	2.4
86.09705	4.1
91.05477	1.8
93.07025	3.1
95.04953	1.4
95.08588	3.1
96.04685	0.7
97.02866	0.9
97.06519	1.1
97.29340	0.7
99.04488	1.0
105.03377	1.7
105.07009	2.7
107.08587	3.2
108.93147	0.7
109.10152	3.2
110.07170	0.7
111.31757	0.8
117.07014	0.8
119.01900	1.3
119.08579	2.2
120.08099	1.2
121.06517	0.7
121.10128	2.5
123.08069	0.8
127.03922	1.8
131.08562	1.6
133.10158	1.8
135.11665	1.8
137.06038	0.7
137.09621	2.5
139.11148	0.7
140.16165	0.7
143.01886	1.2
145.10141	1.4
145.18668	0.9
147.08014	0.9
147.11693	2.1
149.09523	1.4
151.07556	2.5
157.03474	0.8
161.02953	1.9
163.11172	0.7
165.09119	11.2
167.07043	1.5
169.10117	1.0
175.04556	1.3
175.11198	1.0
177.09126	1.2
185.04211	0.8
193.04988	2.7
193.12016	2.1
193.15710	0.9
194.04355	0.7
203.03934	1.0
203.10797	0.8
205.12206	1.0
227.05363	1.3
243.04666	0.9
245.06348	3.6
253.12856	1.8
261.14801	1.0
271.04114	1.9
287.03665	4.7
289.05264	13.7
296.13626	0.7
355.17270	3.5
397.18314	22.3
398.18707	1.0
429.31088	0.9
440.24841	0.8
441.17249	100.0
442.17758	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	441.173
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	0.4
67.05495	0.7
69.07040	0.4
70.06573	1.2
70.57983	0.8
71.04967	0.4
72.08131	0.6
72.59002	0.4
79.05486	0.7
79.47333	0.3
81.07047	1.2
86.09694	0.6
89.69339	0.3
91.05486	0.7
93.07015	1.6
95.08595	0.9
97.06487	0.5
105.07027	0.8
107.08596	1.2
109.10155	0.6
119.08575	0.7
121.10094	0.5
129.09186	0.4
133.10121	0.7
135.08069	0.5
135.11731	0.6
149.13194	0.5
165.09119	2.0
175.11040	0.4
175.14758	0.7
185.04201	1.0
193.12004	2.6
201.12480	0.5
203.05280	0.9
221.11467	0.9
235.13043	0.5
245.06314	2.6
275.75079	0.4
289.05243	3.5
345.31168	0.4
355.17227	10.3
379.17215	0.6
397.18292	34.8
398.18604	1.2
441.17279	100.0
442.17636	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	441.1724
Annotation	Unknow
Peak:m/z	Relative Intensity
54.17578	0.7
55.05491	0.6
56.42583	0.6
70.06591	1.2
70.58552	2.2
71.04972	0.6
78.27841	0.5
79.05489	0.8
81.07018	0.9
86.09708	1.1
87.15346	0.6
93.07043	2.3
96.94210	0.6
101.00822	0.7
103.99193	0.6
105.06990	0.8
107.08575	1.9
119.01901	1.7
128.42329	0.7
143.01883	1.5
151.56865	0.6
157.03403	0.7
161.02937	1.6
175.04494	1.4
185.04259	0.9
193.12000	3.3
203.04057	1.0
222.35745	0.7
235.50928	0.6
243.04768	1.6
245.06404	1.1
253.12868	0.8
271.04382	0.8
287.03644	3.0
289.05322	3.2
295.13812	0.9
301.04449	0.6
302.18756	0.6
355.17212	4.8
379.17285	3.8
390.11407	0.7
397.18304	44.5
398.18582	1.5
423.16180	10.0
436.91754	0.8
441.17282	100.0
442.17685	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	441.1731
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05500	1.5
69.03410	1.0
69.07055	1.3
70.06601	5.1
71.52911	1.7
72.08141	2.4
79.05491	1.3
81.03397	1.0
81.07040	2.5
84.04476	0.8
84.08127	1.2
85.02887	2.2
86.09703	7.5
91.01084	0.7
91.05463	2.1
93.07047	4.0
95.08591	1.5
97.02866	1.8
97.10204	0.9
105.07044	1.3
107.08595	2.3
109.10136	1.7
116.07076	2.1
118.72276	0.8
119.01914	1.6
119.08546	2.6
120.08082	4.4
121.01611	0.8
121.10151	2.8
123.08121	1.0
127.03988	0.8
130.00912	0.7
131.08551	1.4
133.10156	1.2
135.08011	0.9
135.11676	1.0
136.07571	1.3
137.07721	0.7
147.11670	1.2
148.07576	2.3
150.00774	0.9
151.07431	0.9
157.10068	1.4
159.11676	1.3
165.09105	4.4
175.14824	1.8
177.05484	1.0
185.16486	1.7
193.12009	3.1
203.03976	1.0
213.15982	2.4
227.05310	1.0
253.12776	1.0
271.04086	1.2
271.17004	1.0
287.03540	0.9
289.05341	5.7
326.24332	1.1
355.17273	5.3
379.17236	2.6
397.18332	39.3
398.18701	1.2
423.16211	11.6
441.17279	100.0
442.17636	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	441.1527
Annotation	Pharacine
Peak:m/z	Relative Intensity
52.69970	6.7
54.00945	6.3
55.05523	6.7
56.96560	16.7
59.62807	6.7
67.05493	11.4
68.88502	7.2
69.07064	13.3
71.52876	8.5
73.38808	6.7
75.44077	6.1
79.05465	7.0
80.05741	6.5
81.07053	27.2
95.08591	14.2
97.06567	8.0
98.97575	100.0
105.07030	11.6
112.99131	14.7
116.98611	53.0
128.98633	20.0
131.00154	19.5
131.08612	6.5
133.10049	8.3
134.99654	19.1
135.11696	6.5
136.28806	6.8
146.99654	9.9
149.01207	10.7
151.07466	9.0
158.99657	24.3
165.09090	13.2
173.01260	16.1
177.00706	34.5
191.02260	28.0
195.01891	8.9
219.01817	24.6
237.02788	25.1
287.03757	7.0
289.05380	8.9
322.67795	7.1
355.14163	50.9
373.15421	45.0
397.15280	24.9
441.15601	51.1
441.25455	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	441.1731
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05487	1.3
58.99418	0.6
67.05495	1.7
69.03407	1.2
69.07053	1.3
70.06584	4.4
71.14069	1.3
72.08139	2.7
77.28866	0.7
79.05477	1.3
81.03400	0.9
81.07040	2.6
83.06106	1.8
84.04495	2.2
84.08108	1.6
85.02912	0.9
86.09689	8.4
91.05476	2.2
93.07043	3.9
95.08595	2.1
101.00902	0.8
101.07131	0.7
104.05298	0.5
105.07036	1.4
107.08586	2.8
109.06503	0.8
109.10155	1.1
110.07153	0.8
116.07084	0.8
119.01945	3.5
119.08594	1.4
120.08092	11.3
121.10134	1.6
127.00053	1.7
127.03923	1.3
129.10286	0.9
133.10103	0.7
135.11649	0.8
135.56177	0.7
136.07571	1.1
137.06032	0.8
139.85548	0.6
143.01884	1.9
151.07455	1.0
161.02951	2.1
165.09093	3.4
166.08632	1.7
167.07098	0.7
175.04404	0.8
177.05440	0.7
177.89211	0.6
180.44778	0.7
183.05075	0.5
185.04285	0.9
185.16434	0.9
186.09203	0.7
187.00905	0.9
187.14383	1.9
193.12018	4.4
201.03717	0.6
203.05330	1.4
212.98828	0.7
213.15941	1.4
215.13869	1.3
229.01871	0.9
229.15477	1.5
229.95770	0.7
230.12849	1.1
231.11278	0.6
243.04781	5.9
245.06277	3.8
249.91307	0.6
271.04239	2.7
287.03711	39.6
288.04099	1.1
289.05286	34.3
290.02731	0.6
290.05750	0.8
337.16269	1.5
355.17169	1.7
397.18335	16.5
398.18872	1.0
400.01144	0.8
423.16025	3.3
423.21243	0.8
441.17282	100.0
442.17365	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	439.143
Annotation	Shogasulfonic acid A
Peak:m/z	Relative Intensity
56.96551	0.4
64.30855	0.2
67.22996	0.2
71.44032	0.4
71.44386	0.2
85.02905	0.3
96.92228	2.3
97.02867	0.4
98.97571	0.7
101.00853	0.2
103.02428	0.4
105.35442	0.2
110.97511	0.2
115.03648	0.4
116.98616	0.4
117.83907	0.2
119.01905	0.7
121.03495	0.3
127.03923	0.3
128.98541	0.5
131.01906	0.6
133.03453	1.9
136.78268	0.2
139.00731	0.5
139.99860	0.2
141.95076	0.2
143.01884	0.5
145.00764	0.6
145.03439	0.5
151.00714	0.5
151.04527	1.5
155.01872	0.4
157.03487	0.3
160.01297	0.6
161.02985	0.6
169.01920	0.3
169.03426	0.3
172.01431	0.3
173.02965	0.6
175.04565	1.2
177.00626	0.3
180.97466	0.8
181.01785	0.6
185.02798	0.3
185.04225	0.6
187.04535	1.0
188.00853	0.2
189.06114	0.4
190.02335	0.3
196.02354	0.4
196.98009	0.3
196.99699	0.4
199.04567	0.4
200.51062	0.2
201.00832	0.3
201.06160	1.0
203.49870	0.3
209.01337	0.3
210.01508	0.2
211.02835	0.4
211.04637	0.5
211.50333	0.2
213.49228	0.4
213.99095	0.3
216.95078	0.3
217.05577	0.8
222.98569	0.2
224.99118	0.3
225.50916	0.3
232.03459	0.8
238.99135	0.4
240.98744	0.3
241.03828	0.3
250.00989	0.2
256.99829	0.3
263.00021	0.3
266.98425	0.3
269.03531	0.2
276.97238	0.4
277.08939	28.5
278.00543	0.3
278.09357	0.4
281.51740	0.3
283.00171	0.3
292.05624	0.3
294.48578	0.2
295.08679	2.8
300.98044	0.6
309.98932	0.4
318.98514	0.3
324.99606	0.2
336.98535	1.5
337.98996	0.4
347.09338	0.6
348.49100	0.3
348.98486	1.1
365.10455	1.0
378.99399	0.3
381.07877	0.4
393.29062	0.2
397.00024	0.3
439.14203	100.0
440.14560	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	439.1574
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	2.8
69.07060	4.0
70.06583	2.7
71.52790	2.9
79.98763	2.4
92.11433	2.0
93.07048	2.2
95.08563	2.3
96.54444	2.1
97.47585	2.0
109.10130	3.3
117.45842	2.0
119.01924	3.2
119.08578	2.6
132.07835	2.3
167.03104	3.1
185.04245	4.0
191.10443	11.0
203.04103	2.3
221.05098	3.3
227.05264	18.0
255.03172	2.2
261.29123	2.1
265.59134	1.9
271.04239	68.7
289.05261	6.3
353.15076	2.9
362.63617	2.2
395.16794	24.0
439.15714	100.0
439.35910	2.6
440.16196	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	439.112
Annotation	Unknow
Peak:m/z	Relative Intensity
50.28141	0.9
50.28416	0.7
56.44993	0.8
56.96299	1.6
56.96559	17.0
69.03417	2.0
69.38702	4.6
69.39128	3.5
70.06590	1.9
71.95263	1.3
84.04456	1.5
84.96027	3.6
85.02902	2.5
95.18097	0.9
97.02872	2.8
98.97573	100.0
102.97012	0.9
110.07201	1.0
110.97569	5.7
112.99103	0.9
116.98608	60.8
119.01921	2.6
119.04961	1.2
127.03909	1.4
128.98593	7.4
131.00163	1.9
131.01878	0.8
134.99643	26.8
136.07582	1.6
137.05974	1.5
140.00188	2.6
143.00122	1.2
144.98083	1.7
145.01714	2.1
146.99648	6.6
147.03258	2.5
147.04398	3.4
149.01216	1.3
152.98630	1.8
153.00722	2.8
153.81273	0.9
158.01231	2.1
158.99646	37.1
161.01215	3.8
161.02937	1.4
163.02740	2.9
165.00659	1.3
165.04375	3.1
170.99608	3.9
171.03279	4.9
175.02779	1.3
177.00699	54.0
177.05440	1.8
189.00694	3.8
189.04333	14.7
193.03857	1.1
195.01772	4.0
197.02972	0.9
197.81624	0.9
200.02321	3.9
201.00729	1.2
207.01915	0.9
207.05399	3.7
213.42198	0.9
219.01715	10.3
220.02461	1.0
231.05402	2.5
235.04504	1.0
237.02783	21.4
245.05186	1.1
246.11913	0.9
248.09010	0.9
249.06470	1.6
255.03979	1.7
271.51358	0.9
290.06674	1.0
291.07477	19.9
309.08533	81.4
310.08905	3.4
317.47293	0.9
319.81384	0.8
332.10226	4.9
335.10342	0.8
351.05527	1.5
351.09607	15.7
352.66415	1.0
363.09601	2.9
379.08823	3.5
389.07822	2.1
421.10004	10.0
439.11206	48.9
439.16214	1.9
440.11423	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	437.253
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23615	0.8
53.03932	2.9
55.01857	2.6
55.05513	7.9
57.03416	2.5
57.07070	1.7
67.05499	16.8
69.03427	7.7
69.07062	12.5
70.06572	1.1
71.05001	2.6
71.06068	2.0
71.06451	1.0
79.05489	13.8
81.03413	10.9
81.07049	18.8
83.04989	5.4
83.08614	3.5
84.74532	1.0
85.02898	25.6
91.05468	14.7
93.07034	21.3
95.04964	5.4
95.08606	13.6
97.02898	6.8
97.06518	3.7
97.10159	1.4
97.97391	1.1
99.04435	2.6
103.05416	1.1
105.07017	19.0
107.04931	7.1
107.08582	12.5
109.02851	7.7
109.06520	8.9
109.10183	5.7
111.08054	2.0
115.05419	1.6
117.06996	6.1
119.08569	13.3
121.06500	7.9
121.10119	5.8
123.08054	5.1
123.11684	1.7
125.01057	0.9
126.99275	0.9
127.03889	19.8
128.90718	0.9
129.06972	2.8
131.08549	14.3
133.06471	3.8
133.10118	13.8
135.08020	5.1
135.11667	5.3
137.09567	2.0
143.08546	2.8
145.04962	2.2
145.06448	1.8
145.10110	10.4
147.08003	4.1
147.11670	9.4
149.09615	5.7
149.13252	2.6
151.11177	4.5
157.10081	2.9
159.08040	2.6
159.11688	7.7
161.09599	2.6
161.13261	2.7
163.11179	3.8
169.10080	1.6
171.07951	1.2
171.11681	1.3
173.09587	2.8
173.13206	3.6
175.11183	3.8
177.09117	1.8
177.12775	1.6
183.11742	2.3
184.71436	1.1
185.13103	1.2
187.11185	2.4
189.12848	1.2
191.14253	2.0
197.13303	1.1
200.27417	0.9
201.12755	3.4
205.19556	1.0
207.13673	1.3
215.14401	1.3
215.17981	2.3
219.13774	3.7
229.19556	2.2
231.17548	1.0
233.18913	1.3
239.17929	3.4
247.20503	2.5
257.18918	13.3
269.30731	0.9
275.20047	100.0
276.20367	4.7
293.21085	11.9
294.21301	1.0
335.22397	1.7
341.21143	1.2
419.24207	7.7
437.25156	10.2
447.44000	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.253
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	7.9
53.54612	2.0
55.01862	11.0
55.05502	18.3
55.12661	2.1
57.03423	6.4
57.07073	2.3
65.03922	5.2
67.05497	39.6
68.61983	2.1
69.03427	18.5
69.07050	24.9
69.55136	4.0
69.55547	14.2
70.06577	7.1
71.04967	4.6
79.05486	45.9
79.05922	4.9
81.03410	32.6
81.07045	100.0
83.04980	8.4
83.08601	12.8
84.33273	2.3
85.02893	13.3
88.07610	4.2
91.05470	37.8
93.07044	32.5
93.07580	4.1
95.04958	13.0
95.08595	30.0
97.02888	10.3
97.06508	8.6
99.04436	6.0
99.08080	3.9
102.09125	5.5
105.07021	31.1
107.04971	11.7
107.08585	20.4
107.31342	2.2
109.02838	15.5
109.06503	40.2
109.10151	10.6
111.04438	5.4
111.08069	6.1
117.06990	12.4
119.08566	22.6
120.99332	2.4
121.06499	8.0
121.10127	14.1
123.04383	3.3
123.08060	10.1
123.11703	5.9
127.03901	22.7
128.06172	3.3
129.06966	5.8
131.08543	18.0
133.06483	2.4
133.10088	22.2
135.04454	2.4
135.08047	9.8
135.11667	6.2
137.09610	4.4
140.90730	2.9
143.08533	5.2
145.06442	5.2
145.10103	15.0
147.07973	2.7
147.11707	17.9
149.02324	8.8
149.09615	9.5
149.13239	8.5
151.07530	2.6
151.11183	4.7
155.08505	3.0
157.10115	6.7
159.08052	4.7
159.11699	10.9
161.13177	3.5
163.11211	8.6
163.14764	2.6
165.12772	4.4
167.08551	2.6
171.11670	2.6
173.09619	3.4
173.13316	4.8
175.11151	4.3
177.12769	3.2
183.11691	3.9
185.09698	2.3
187.14778	3.5
189.12820	4.1
191.14241	3.0
193.04948	8.9
193.12254	4.3
211.70975	2.7
221.15286	2.6
228.23177	11.0
229.19472	4.9
237.07594	11.8
239.17915	4.3
247.20583	6.5
257.19034	5.2
275.16891	4.2
275.20023	79.1
276.20572	3.1
293.21091	5.7
365.20847	2.8
383.22028	3.3
401.23001	6.7
419.24078	13.4
437.25311	19.1
438.28421	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	437.1912
Annotation	Unknow
Peak:m/z	Relative Intensity
60.04494	2.5
69.03413	2.9
69.07037	3.2
70.06573	11.2
72.08132	9.3
73.02919	2.8
81.03430	2.8
81.07065	2.7
84.04491	3.2
84.08144	10.1
85.02892	8.9
86.09689	9.6
91.05445	3.5
94.06545	4.9
95.08600	2.7
97.02885	5.1
105.03395	4.6
108.04453	2.0
110.07124	2.5
110.63326	2.2
112.70832	2.2
113.02323	4.3
116.41431	2.3
119.07300	4.5
120.08115	14.1
122.06046	9.8
124.07611	2.8
126.43370	2.0
127.03916	3.0
128.63699	2.3
129.10197	4.8
130.06563	2.4
136.07547	7.9
137.05981	3.0
140.07063	15.4
146.06009	8.2
147.06790	10.7
148.06387	4.4
148.07564	72.3
160.07558	6.7
164.07039	5.3
170.08124	2.4
172.07553	5.1
174.05479	23.7
174.08980	2.5
176.07079	18.3
186.05440	5.6
186.09119	6.3
186.18082	2.0
188.07083	15.8
196.07622	2.2
200.07071	2.7
202.08604	7.9
204.06557	3.9
214.08640	8.5
218.08095	10.3
230.08116	17.9
241.66238	2.0
242.08099	100.0
243.08559	5.2
244.09665	5.1
259.89688	2.1
260.09149	15.4
275.13898	3.5
278.10226	93.5
279.10483	4.7
287.13843	20.7
296.11282	42.7
311.76117	2.2
333.08969	2.5
371.15912	8.1
383.15939	10.1
419.17941	8.1
437.19446	4.6
440.47888	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	436.2176
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	11.7
53.42290	7.0
55.01861	10.1
55.05510	20.1
61.02903	8.4
67.05498	9.6
69.03416	31.0
69.07056	36.2
69.97523	42.4
70.06590	38.6
72.08141	15.6
79.05467	10.9
81.03422	36.6
81.07042	20.3
84.08115	7.3
85.02900	100.0
86.09698	23.1
87.00838	46.4
91.05483	21.2
93.07048	38.8
95.08605	29.9
97.02882	53.9
99.04431	18.8
100.81243	7.5
105.01856	90.9
105.07005	19.2
107.08614	39.9
109.02892	25.5
109.10122	15.8
120.08115	20.5
121.06481	8.9
121.10193	8.0
127.03903	74.9
131.08577	7.4
135.11636	46.8
136.12050	7.5
137.05962	9.0
137.78050	8.6
140.85635	8.8
145.04971	44.2
153.12724	38.7
159.02876	9.6
159.11688	8.8
161.05977	7.6
181.04950	14.9
182.05327	14.7
231.04936	23.8
232.05650	9.7
249.06015	11.7
255.56609	7.9
418.15662	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	436.2174
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	2.6
55.01863	2.8
55.05497	4.9
57.03425	2.9
57.07054	2.1
57.41994	1.4
58.22910	1.1
59.04984	2.7
66.93121	1.2
67.05505	9.3
69.03425	17.1
69.06727	1.8
69.07066	21.6
70.06586	1.4
71.04971	5.5
71.52765	2.1
72.08160	1.6
72.99132	1.2
73.02886	1.9
79.05073	1.3
79.05477	8.4
81.03410	11.2
81.07050	12.3
83.08580	4.0
84.04511	1.8
85.02903	39.4
86.09702	2.1
87.00813	15.0
91.05458	6.3
93.07038	17.4
95.08601	21.7
96.08894	1.5
97.02886	14.1
97.06525	100.0
98.06855	2.1
99.04434	5.9
103.70817	1.5
105.01861	26.5
107.08585	22.5
108.04500	2.1
109.02885	12.4
109.10159	16.2
111.08060	4.6
123.11687	6.6
127.03918	29.9
135.10693	2.6
135.11687	34.8
137.05917	1.9
142.22197	1.3
145.04964	13.8
153.12737	74.7
159.02893	6.3
167.07022	1.4
189.03914	2.0
213.03972	2.0
214.45642	1.3
231.05006	11.1
237.02693	1.9
248.07611	2.8
249.06010	5.4
262.58606	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	436.2174
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05487	2.2
58.52437	1.1
59.05004	1.2
69.03410	1.6
69.07080	1.2
70.06548	1.1
70.84794	2.1
70.85167	2.3
71.04979	12.5
73.06544	3.3
79.05468	4.0
81.03387	1.1
81.06594	1.2
81.07048	18.0
85.02879	3.8
87.00845	1.3
93.07042	11.2
95.08582	1.9
97.02831	1.7
97.06516	1.4
105.01849	2.7
107.08577	8.1
109.10140	2.5
127.03896	3.4
135.11678	19.4
153.12721	100.0
154.13048	2.4
183.41443	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	436.1535
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03903	1.0
65.03920	1.0
69.03405	2.4
69.07039	0.9
70.06582	6.5
71.52843	1.2
72.08135	3.1
74.06036	1.3
79.05476	2.0
81.03400	1.0
81.07050	1.6
84.08109	2.9
85.02888	4.1
86.09694	5.8
87.00812	1.2
91.05468	11.0
93.07026	3.3
97.02892	1.6
103.05379	0.7
105.01875	1.0
105.07000	1.0
107.04905	1.0
107.08592	2.5
108.08084	2.4
110.06005	1.1
110.07156	1.5
117.88059	0.8
120.08072	5.3
121.10161	1.2
122.06009	1.8
124.07547	1.3
125.09545	0.7
127.03890	1.6
128.60101	0.8
129.10211	1.1
134.05957	1.0
135.11720	4.2
136.07512	1.9
137.05948	1.0
137.09554	0.9
143.00122	1.0
148.06369	2.1
148.07501	0.9
150.09140	2.2
152.06990	1.1
167.06999	1.7
168.10141	3.1
173.05525	0.9
178.08539	2.3
181.05000	1.1
182.09662	1.3
183.09207	1.2
184.09921	1.8
187.05080	1.2
195.05844	4.7
196.09674	2.2
197.06929	0.9
198.07840	1.2
198.11444	1.0
199.08629	13.6
199.12231	3.1
200.09303	1.4
209.08257	0.8
210.09062	3.4
211.08684	3.6
212.09416	21.3
213.10219	26.5
214.10966	11.1
219.01537	1.1
223.08644	1.0
224.10655	1.6
225.10207	6.4
226.11000	6.9
227.11772	71.2
228.12540	18.5
229.13177	1.2
231.11299	1.0
233.08058	1.2
234.08420	1.5
237.02739	1.1
237.10182	2.1
238.10980	4.3
239.08107	2.1
239.11650	2.2
240.08961	5.6
241.06404	15.5
241.09862	1.0
241.10646	1.0
241.13303	15.5
242.13739	1.0
243.08006	1.1
243.11241	4.0
251.11887	1.5
252.12445	1.1
253.09756	8.9
253.13335	1.6
254.07867	1.1
254.10486	16.7
255.11247	17.3
267.11346	1.7
268.12003	8.2
269.12823	30.7
271.10767	11.3
272.11523	48.6
273.12015	3.4
285.12314	2.9
286.13092	13.1
287.13867	94.9
288.14191	4.4
297.12302	3.3
300.11096	4.1
315.13358	100.0
316.13861	4.8
390.14633	2.7
400.13272	0.9
408.15692	2.0
418.14148	5.1
436.15231	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	436.2173
Annotation	Unknow
Peak:m/z	Relative Intensity
50.70672	16.3
67.05474	29.3
69.03410	72.2
70.55293	18.2
70.70517	38.1
70.70893	41.1
79.05464	37.1
81.03403	25.1
81.07037	87.1
85.02910	100.0
87.00832	54.1
91.05446	21.6
93.06998	88.1
95.08603	42.7
97.02867	66.5
105.01845	63.8
107.08566	92.5
109.02861	33.0
120.08093	19.0
127.03906	82.4
135.11656	77.7
137.13194	27.6
145.04933	50.0
153.12718	18.2
255.11281	21.9
377.32211	19.8
418.16049	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	436.2173
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	10.3
69.03412	28.0
69.66309	47.6
69.66722	16.1
70.06567	19.7
72.50427	7.9
73.29012	7.7
75.31091	9.2
79.05474	16.3
81.03390	31.0
81.07030	19.5
84.08120	9.4
85.02881	78.8
86.09680	25.1
87.00816	33.0
91.05470	30.2
93.07039	91.1
97.02870	34.0
98.21488	16.8
99.04451	9.0
105.01831	32.5
105.06982	9.8
107.04986	9.4
107.08582	100.0
109.02880	20.1
127.03889	44.9
135.11690	85.1
145.04919	23.8
148.04625	8.4
153.12688	27.0
153.91023	7.8
159.02875	15.3
171.13864	8.1
227.11684	9.3
459.42859	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	436.2173
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	8.5
55.01857	6.6
55.05492	3.4
57.03419	5.2
57.07026	1.4
61.02910	3.2
64.95202	1.4
67.05484	4.9
68.99770	2.4
69.03418	19.7
69.07047	6.1
70.58551	4.6
70.58908	1.6
71.04967	3.6
73.02894	5.4
79.05489	11.8
81.03409	23.5
81.07049	10.5
81.90398	1.5
85.02898	65.2
87.00822	22.4
89.43531	1.5
91.03971	2.9
91.05472	19.3
93.07035	90.3
95.04956	4.7
95.08599	10.2
97.02884	25.3
97.06512	9.3
99.04458	12.5
105.01862	29.3
105.07008	6.7
105.67530	1.7
107.08584	100.0
109.02875	24.6
109.06500	5.7
109.10122	7.2
117.01846	1.7
127.03908	51.5
129.01814	3.4
135.11678	67.4
136.11923	1.6
137.13297	3.0
137.64482	1.4
145.04936	28.2
147.02824	2.7
153.12704	5.5
159.02861	17.8
165.12703	2.8
177.03925	2.2
199.12440	2.0
227.11696	6.3
231.05014	9.3
255.11296	2.8
269.12720	2.1
287.13861	2.1
315.13339	5.8
392.06592	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.2504
Annotation	1-(9Z,12Z-octadecadienoyl)-glycero-3-phosphate
Peak:m/z	Relative Intensity
53.15534	3.6
54.85044	3.5
55.05503	21.8
57.03423	11.3
57.07063	8.9
65.03921	4.1
67.05498	43.4
69.07057	22.5
70.98043	7.9
79.05477	15.3
81.07044	47.3
82.55675	3.2
83.08614	13.0
91.05463	8.7
93.07033	15.4
95.08601	39.9
98.98465	73.3
105.07037	8.9
107.08610	9.5
109.06503	9.0
109.10145	17.4
111.11703	3.8
119.08565	5.8
121.10133	9.6
123.11685	5.6
133.10138	7.6
137.13274	4.0
149.13246	3.4
155.01057	12.5
163.14825	5.6
173.02148	11.6
245.22719	11.3
263.23676	12.0
337.27338	100.0
338.27698	5.9
435.29193	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	436.1534
Annotation	Unknow
Peak:m/z	Relative Intensity
51.43382	0.8
55.05513	1.2
57.83063	0.9
67.05501	1.1
70.06588	4.0
71.44572	1.4
72.08158	1.5
79.05505	1.3
81.07056	1.0
84.08150	1.6
85.02901	1.6
86.09696	4.6
91.05499	1.5
93.07034	1.1
94.06566	1.3
97.02934	0.9
105.07001	1.3
106.06554	3.5
107.08598	1.1
110.06055	2.1
120.08108	3.1
121.10133	0.8
122.06027	0.9
125.38514	0.8
127.03804	0.9
134.05995	6.8
135.11621	1.2
136.07539	2.6
141.32458	0.9
144.08081	1.0
145.04936	0.9
146.06020	1.3
148.07533	1.7
150.05502	1.4
151.72304	0.7
152.07074	4.8
154.06471	0.8
158.09660	1.9
160.07550	0.8
167.07173	1.2
170.08296	1.1
172.07571	3.0
172.11304	0.9
182.09692	5.5
183.09125	1.5
184.09961	5.5
184.10945	0.8
184.11372	1.3
185.10780	3.1
186.09166	2.8
196.11281	1.2
197.07112	0.9
198.11589	1.4
199.08603	2.0
199.12289	16.8
200.10687	2.0
200.12811	1.0
209.10670	1.2
210.09134	4.1
211.08646	4.0
212.09395	9.1
213.10188	2.3
213.13876	1.5
214.10924	1.6
223.12352	1.8
224.10783	2.0
225.10245	1.7
226.08896	0.9
226.11044	3.3
227.11778	97.3
228.12160	4.8
239.08173	1.5
240.08908	1.4
241.13345	3.5
242.11766	2.3
244.09747	1.0
251.11876	2.9
252.10019	0.9
253.09778	1.8
253.13388	8.7
254.10400	1.7
255.11258	41.3
256.11664	1.3
259.14444	1.5
269.12848	31.5
287.13889	46.5
288.14117	1.6
297.12302	37.0
298.12616	1.6
302.01682	0.8
315.13358	100.0
316.13715	5.1
365.81839	0.8
437.14780	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	434.2747
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	3.5
55.05497	4.8
65.03922	3.9
67.05490	8.9
69.03407	10.6
69.07081	4.6
69.62536	2.7
70.06589	28.1
71.04943	4.1
71.52608	5.0
72.08152	13.9
79.05482	6.8
81.03400	4.0
81.07024	10.7
83.04996	4.2
84.04525	3.6
84.08118	7.3
85.02907	14.8
86.09708	23.7
87.00804	6.6
91.05479	20.9
93.07027	12.4
95.04944	5.5
95.08610	4.0
97.02873	8.8
105.01854	8.4
105.07027	28.1
107.04966	4.6
107.08575	13.5
109.02874	3.1
109.10109	9.9
117.87471	2.5
119.04935	7.2
120.08080	10.1
121.06486	4.3
121.10121	10.2
123.11676	4.8
127.03908	13.8
129.10226	7.5
131.08601	5.0
133.10136	21.6
135.07996	2.7
145.04839	3.3
145.06531	3.7
147.04402	19.5
149.06099	2.9
149.13219	3.5
151.11159	10.5
159.02861	2.8
159.11656	4.6
161.05948	2.9
167.07047	10.9
169.12189	5.4
172.05115	9.0
173.13268	7.2
181.04944	11.3
191.14281	25.3
200.04837	3.7
202.12221	3.4
209.15318	17.0
213.27831	3.1
218.05586	4.0
219.17393	6.5
227.16422	100.0
228.16714	3.9
233.08069	35.1
241.34700	2.9
263.09082	6.7
327.45993	2.9
391.03574	4.1
417.15268	9.3
434.27463	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	434.2016
Annotation	Unknow
Peak:m/z	Relative Intensity
52.56369	5.0
53.03931	14.9
55.01864	8.1
57.03435	7.0
57.74043	5.0
61.02921	9.3
69.03432	37.3
69.07056	63.7
69.75832	5.4
70.06584	6.9
71.04974	10.8
71.44255	12.0
71.50253	5.5
73.02901	8.8
78.06680	5.0
79.05473	5.7
81.03429	45.6
81.07030	14.7
85.02380	6.2
85.02900	100.0
87.00822	53.6
87.34580	5.1
97.02885	69.0
99.04434	15.6
105.01853	58.7
109.02852	49.2
109.10145	7.8
117.01804	6.1
123.11692	33.6
127.03896	98.2
145.04944	49.5
151.11154	65.4
159.02759	25.6
231.04976	18.3
399.16455	28.9
456.49850	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	434.1653
Annotation	Unknow
Peak:m/z	Relative Intensity
51.97024	1.5
53.03926	5.7
55.01863	11.2
56.05013	1.4
57.03431	7.9
60.04508	2.2
61.02906	6.7
67.90811	1.4
68.99772	3.2
69.03084	2.3
69.03423	33.5
70.06594	8.4
70.67792	1.9
70.68143	4.7
71.01301	1.3
71.04980	7.5
72.08141	4.5
73.02908	10.5
79.05450	2.2
81.03411	28.5
81.07031	2.8
84.04475	1.9
84.08118	2.9
85.02899	100.0
86.09678	5.6
87.00306	2.3
87.00819	33.8
87.04459	1.8
91.03929	2.8
91.05474	17.5
95.04962	3.1
97.02884	37.5
99.04449	13.3
105.01193	2.9
105.01856	38.6
105.07025	3.9
107.04967	2.5
107.08565	2.0
108.04484	2.3
109.02875	28.4
109.06493	2.5
110.07130	2.1
111.95787	1.5
115.03903	5.7
117.01813	1.9
119.04952	8.5
120.08094	3.5
127.03905	58.6
129.01830	4.1
129.05461	5.0
129.10201	2.7
133.04976	1.8
133.06441	2.7
133.07463	1.6
136.07596	2.2
137.05962	4.8
145.03769	2.1
145.04941	26.4
147.02878	3.1
151.07533	50.0
157.06445	3.1
159.02885	17.6
160.05141	2.1
161.05959	3.1
163.07358	1.8
165.09084	15.9
167.07018	2.6
169.08556	1.7
175.07518	6.2
177.03964	2.1
178.03372	1.6
179.07068	2.6
180.10121	2.1
181.04948	2.0
181.06366	1.5
185.05984	1.7
189.03958	4.4
189.09109	4.6
193.08588	25.1
199.07489	3.2
217.08621	4.9
225.10207	6.5
231.04988	13.2
231.10028	3.5
233.07971	2.2
235.09636	14.9
237.02774	1.9
248.07574	2.2
253.09729	15.1
259.09671	14.4
277.10709	22.8
278.10870	2.1
285.06866	4.4
295.10696	9.9
299.10187	4.3
313.11774	5.5
317.06430	5.9
345.09012	2.8
363.10663	3.2
381.11597	7.0
388.13083	2.2
391.03204	2.6
417.15945	2.0
434.13889	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	434.1654
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	2.1
55.01847	1.8
56.96555	1.5
57.03421	3.6
61.02926	7.3
64.38348	1.1
65.03928	2.5
69.03422	12.0
70.06563	1.8
70.21497	2.3
70.21885	2.8
71.04978	1.3
72.08141	2.8
73.02901	2.5
75.02690	1.4
81.03406	5.5
84.08136	1.5
85.02898	47.0
87.04461	1.2
89.87109	1.7
91.03933	1.4
92.04989	4.2
97.02890	15.6
98.21391	1.3
99.04446	2.0
103.03925	1.5
105.65182	1.2
106.06537	4.2
107.04917	1.6
109.02853	4.3
109.05242	2.8
110.06033	100.0
111.04427	1.4
111.06397	1.7
116.98558	1.4
120.04501	1.2
122.06013	5.3
127.03899	13.1
131.04860	1.4
134.06006	12.9
136.07585	1.7
140.03397	1.8
145.02924	2.4
145.04944	14.2
146.05998	1.8
152.07059	7.5
153.05400	1.2
163.06004	1.7
176.07045	4.7
177.05418	4.1
222.63765	1.2
236.09148	5.5
254.10170	8.1
272.11258	14.1
282.07874	1.1
282.10947	1.1
329.25290	1.2
434.16849	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	434.1654
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	5.7
54.22700	1.0
55.01865	6.3
57.03421	5.2
61.02915	4.7
68.99787	1.9
69.03419	18.8
70.06579	3.6
70.71255	3.0
71.04968	2.7
73.02902	6.5
75.06573	0.9
80.04981	0.9
81.03410	18.6
84.04473	0.9
84.08100	1.2
85.02895	62.4
86.03229	1.8
86.09695	1.4
87.00814	22.9
91.05441	2.8
94.06609	1.3
95.04930	1.2
97.02876	20.2
98.03248	1.6
98.06068	1.3
99.04449	10.6
100.04754	1.2
103.03915	2.6
105.01855	26.0
105.03377	2.0
105.07027	2.6
108.04454	3.0
109.02862	21.9
109.06492	1.3
110.07131	2.0
112.66344	0.9
115.03938	1.1
117.01817	1.6
119.04915	3.0
126.05470	1.3
127.03897	100.0
128.04234	28.0
129.01822	3.3
131.04922	1.5
134.03323	1.0
137.05940	1.6
145.04942	22.3
147.02840	2.3
151.07533	23.2
157.06464	1.8
159.02881	10.5
163.07578	1.3
165.09087	8.4
167.68622	1.0
169.08553	1.0
175.07553	4.2
177.03964	1.5
179.07030	1.2
187.07426	1.2
189.09082	4.3
193.08575	20.1
199.07408	1.2
211.09668	1.7
213.03909	2.6
213.08934	1.4
217.08615	4.7
223.80838	1.0
230.06537	1.3
231.04980	10.8
231.09999	2.2
235.09637	7.3
248.07558	1.6
249.05882	1.7
259.09616	11.2
273.12259	1.0
277.10678	17.4
278.10892	1.3
281.11905	1.0
363.10748	2.2
381.11707	3.9
434.14249	1.1
455.76764	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2345
Annotation	PA(18:3(9Z,12Z,15Z)/0:0)
Peak:m/z	Relative Intensity
53.03951	2.3
55.01843	2.0
55.05504	15.1
57.03432	11.2
67.05497	63.3
69.07074	13.0
70.97999	3.7
70.98356	2.5
75.04451	2.1
79.05487	36.0
81.07046	67.1
81.47723	1.9
83.08616	3.8
91.05461	18.3
93.06482	3.5
93.07034	48.8
95.04971	3.2
95.08598	54.8
97.06544	3.1
98.97799	4.3
98.98453	89.0
105.07022	11.7
107.08579	30.6
109.10150	26.4
111.11698	1.6
117.07037	6.1
119.08553	14.0
121.10130	23.9
123.11706	10.4
131.08548	13.5
133.10121	7.8
135.11693	16.4
137.13231	4.3
145.10132	9.4
147.11687	5.7
149.13211	12.7
151.14740	2.0
155.01028	9.5
159.11635	8.7
161.13257	6.1
163.14812	8.2
172.60199	2.1
173.02080	18.1
173.13271	11.3
175.14824	2.2
187.14801	4.7
243.21107	17.7
261.22110	49.5
279.23251	4.9
290.18771	1.7
314.55865	2.0
317.24667	9.6
335.25778	100.0
336.26190	5.5
415.22672	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	433.2347
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	3.0
55.05506	13.2
57.03439	12.9
57.07050	3.1
65.03938	3.6
67.05502	58.3
67.36131	2.3
69.07063	13.8
71.08608	2.9
71.26059	4.0
75.04485	2.8
79.05489	31.5
81.06590	4.3
81.07047	64.6
83.08601	5.3
85.06503	2.7
91.05480	18.8
93.07039	45.1
95.04949	2.7
95.08600	49.9
97.06525	3.3
97.10149	2.4
98.98460	86.0
105.07002	13.4
107.08588	30.7
109.10158	25.1
113.01263	2.3
116.99464	2.6
117.07016	5.8
119.08569	13.5
121.10139	20.1
123.11697	10.5
131.08568	12.9
133.10124	14.4
135.11694	16.9
137.13197	2.8
145.10100	8.3
147.11673	10.8
149.13271	14.1
155.01013	8.4
159.11703	7.1
161.13237	6.6
163.14789	10.3
173.02083	16.1
173.13234	9.4
175.14824	4.5
177.16425	2.8
187.14796	4.6
227.99280	2.3
233.22577	3.4
243.21033	15.1
261.22113	49.2
262.22498	2.9
270.68466	2.4
279.23199	3.9
317.24738	8.7
335.25769	100.0
336.25961	4.2
362.76700	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2347
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	7.1
57.03424	7.3
65.03945	2.1
67.05502	37.7
69.07061	9.1
70.77799	5.6
71.04983	1.6
73.45345	1.9
79.05486	26.7
81.07053	45.6
83.08621	4.1
91.05477	14.9
93.07035	31.6
95.04972	2.1
95.08600	30.0
97.06505	2.7
97.10143	2.4
98.98461	100.0
105.07036	11.1
107.08578	19.2
109.10142	14.3
116.99497	3.5
117.07025	4.3
119.08568	11.5
121.10139	16.2
123.11697	5.9
131.08575	13.9
133.10139	9.4
135.11702	13.6
137.13239	3.3
145.10121	8.5
147.11674	8.3
149.13235	12.8
155.01045	17.3
159.11703	6.5
161.13268	5.7
163.14807	6.3
164.58656	2.8
173.02109	14.4
173.13258	8.9
175.14851	2.2
177.16418	3.5
187.14847	4.1
201.16386	2.2
233.22659	1.8
243.21040	16.0
261.22134	55.5
317.24640	9.0
335.22064	3.6
335.25793	42.7
336.26175	2.7
391.65335	1.8
415.22342	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	433.1338
Annotation	Tachiogroside B
Peak:m/z	Relative Intensity
53.03940	0.8
57.03398	0.2
59.10505	0.2
61.02919	0.4
69.03425	2.1
70.06585	0.2
70.65336	0.4
71.04984	0.6
73.02899	0.5
79.05476	0.2
81.03407	2.4
85.02898	6.2
86.09694	0.4
87.72337	0.2
97.02290	0.3
97.02884	3.9
99.04449	4.2
103.03934	5.2
104.08617	0.2
107.04956	0.2
109.02863	2.8
124.98506	0.2
127.03903	100.0
128.04222	1.3
145.04950	3.6
160.41437	0.2
163.06024	0.6
167.07063	0.2
169.05064	0.2
181.04968	0.6
187.05969	0.9
221.08066	0.2
249.07579	0.2
271.08130	0.7
277.38086	0.2
289.09387	0.3
309.28287	0.2
403.13977	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1679
Annotation	Unknow
Peak:m/z	Relative Intensity
50.82914	0.4
50.83257	0.3
55.05492	1.3
60.04528	2.5
61.67487	0.3
62.17678	0.4
64.93704	0.3
69.03424	1.7
69.07087	0.4
70.00072	0.4
70.06573	1.7
70.55517	1.5
71.05009	0.5
71.78638	0.4
72.08150	7.0
79.72458	0.4
81.03391	1.5
84.04483	1.2
84.08121	1.1
85.02908	2.7
85.60847	0.4
86.09703	5.2
87.10011	0.5
97.02873	1.0
99.04453	1.7
103.03912	1.9
109.02879	1.3
127.03908	34.0
128.04211	0.7
129.10268	0.8
132.10182	1.2
136.07610	0.6
145.04968	1.2
145.95758	0.4
161.03021	0.6
173.03001	0.5
173.12897	0.8
183.11288	0.7
187.10793	0.9
189.78378	0.4
201.12338	2.2
205.11903	0.9
215.10272	1.0
219.13412	1.6
221.05016	1.9
225.10135	0.6
229.11916	0.5
245.05092	0.6
253.09738	0.8
271.11423	0.7
295.10904	0.5
305.08176	0.5
316.15131	0.4
433.16785	100.0
434.17154	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	433.2219
Annotation	(-)-Chrolactomycin
Peak:m/z	Relative Intensity
53.03929	8.5
55.01863	25.0
55.05508	37.1
59.50453	5.2
65.03933	7.4
67.05505	53.2
69.03413	9.9
69.07065	30.2
71.04669	9.5
71.04999	12.1
79.05482	48.8
81.03417	11.2
81.07052	91.5
83.04971	12.1
83.08611	19.0
85.02894	6.9
91.05477	71.7
93.07037	35.5
95.04975	12.6
95.08591	42.9
97.10155	6.2
103.05415	6.6
105.03415	5.8
105.07024	61.6
107.05023	6.9
107.08572	27.9
109.06508	6.6
109.10135	8.9
115.05420	25.8
117.07000	39.8
119.04908	10.3
119.08602	28.3
121.02921	6.5
121.06490	15.5
121.10131	18.6
123.04470	5.1
123.08052	7.9
123.11685	10.8
125.02341	7.1
128.06209	19.9
128.12775	5.1
129.06998	45.6
131.04912	23.0
131.08534	33.6
133.06441	10.0
133.10100	16.3
135.04378	9.3
135.08070	9.9
141.06929	16.7
142.07745	13.2
143.08531	34.5
144.05658	6.4
145.06453	30.5
145.10118	18.6
147.04375	10.3
147.08032	10.2
147.11681	19.9
153.06972	6.4
154.07774	7.2
155.08592	28.3
157.06522	15.6
157.10097	15.5
158.07210	7.5
159.04459	12.3
159.08092	26.7
159.11690	10.9
161.05977	15.0
161.09612	15.2
163.03879	10.9
163.07504	8.0
165.05447	7.6
165.06934	10.3
167.08531	13.6
169.06406	5.8
169.10100	8.9
170.07315	7.0
171.04385	9.5
171.08043	17.9
173.05914	13.3
173.09586	18.6
175.03976	10.7
175.07533	19.4
175.11029	8.2
177.05405	6.8
177.09187	6.3
181.06670	7.1
183.08060	11.4
185.05995	15.2
185.09637	18.0
187.03943	19.3
187.07513	18.2
187.11192	9.6
189.05426	19.1
189.09004	11.7
191.07040	9.2
196.08725	5.9
197.06021	11.5
197.09616	8.8
199.03908	16.3
199.07590	20.0
199.11224	15.3
201.05496	16.7
201.09174	18.4
203.07051	15.5
203.10739	7.2
209.09546	6.8
211.07521	7.4
211.11166	13.4
213.05449	13.0
213.09116	16.5
213.12683	8.4
215.06982	14.6
215.10664	11.9
217.08620	24.8
225.09146	13.7
225.12837	6.3
227.07002	14.2
227.10692	17.4
229.04993	12.8
229.08640	16.5
231.06543	10.2
231.10065	18.4
233.08041	6.7
235.05994	7.4
239.06938	6.6
241.08539	16.6
241.12206	5.7
243.10172	15.0
245.11772	8.3
253.12207	8.0
255.10271	12.3
257.11737	7.0
266.12653	6.1
273.18439	7.3
291.12186	12.3
311.12851	9.7
327.19513	22.9
337.17886	10.7
345.13358	12.6
349.17722	10.6
351.19528	12.8
355.19052	31.0
363.14392	29.4
367.19019	29.7
369.20624	18.6
373.20145	8.8
379.18991	26.4
385.19894	11.2
387.21570	10.2
397.19983	52.4
403.10242	35.7
415.21063	76.0
416.21118	5.9
433.14932	51.1
433.22141	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	432.2078
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96555	3.1
57.03422	5.9
61.02922	6.6
62.67546	2.5
69.03437	15.6
69.07037	2.1
70.02950	2.4
70.03741	2.3
70.06578	8.9
71.04951	2.6
71.52135	1.9
72.08138	11.0
73.02893	3.3
73.06552	100.0
81.03422	6.3
84.04501	6.0
84.08102	11.8
85.02898	92.7
86.09701	24.7
86.87932	2.8
87.04471	3.8
87.05588	3.1
91.03956	2.5
91.07580	13.8
97.02881	27.0
98.97566	3.2
99.04451	6.4
102.05550	4.0
109.02869	10.0
110.07185	5.0
119.04975	2.8
127.03895	45.1
129.10211	6.6
133.06056	4.2
143.52922	2.8
143.54350	2.4
145.04955	42.8
146.99571	3.0
150.32382	2.3
163.06007	17.3
169.12880	2.6
201.12317	3.2
237.77673	2.6
253.12805	4.4
259.06442	2.7
345.11057	2.7
393.07608	2.5
433.16537	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	432.2952
Annotation	Unknow
Peak:m/z	Relative Intensity
51.17966	7.4
55.05508	8.4
63.12175	7.5
69.07061	15.2
69.22307	44.6
69.22742	42.2
81.07022	13.3
93.07076	13.0
106.13303	7.6
109.06529	10.6
129.07091	8.3
137.05965	72.0
148.16614	7.6
154.16013	7.3
164.44800	7.1
176.79707	6.6
249.18626	10.8
277.17929	67.1
295.19012	29.2
341.52307	8.2
347.91504	8.1
351.21597	100.0
369.22641	28.4
407.85898	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	433.1127
Annotation	Sophoricoside
Peak:m/z	Relative Intensity
52.63612	0.1
53.03931	0.1
55.05487	0.2
57.03421	0.1
61.02910	0.3
63.50924	0.1
65.43178	0.1
67.05476	0.2
68.99778	0.2
69.03416	0.5
69.07059	0.2
70.06579	0.5
71.04987	0.1
71.26305	0.2
72.08138	0.1
77.03979	0.1
79.05478	0.2
81.03394	0.4
81.07040	0.4
83.01334	0.1
84.08133	0.3
85.02436	0.1
85.02894	1.6
86.09682	0.6
87.04453	0.1
91.05465	0.3
93.07043	0.2
95.01308	0.5
95.04947	0.2
95.08586	0.3
95.96402	0.1
97.02872	0.5
99.04417	0.2
99.08054	0.1
103.05446	1.4
105.03393	0.6
105.07021	0.2
107.04926	0.2
107.08571	0.2
109.02872	0.2
109.10123	0.2
117.06989	0.1
119.04929	0.1
120.08070	0.4
121.10128	0.2
123.00771	3.9
127.03918	0.5
128.06172	0.1
129.07002	0.1
131.04903	0.1
131.08539	0.1
135.11664	0.1
141.01805	1.0
141.06950	0.3
145.04938	0.2
145.10085	0.2
151.00301	0.1
157.10118	0.1
160.11945	0.1
167.07004	0.3
169.01295	1.4
169.06348	0.1
181.04938	0.7
183.06648	0.1
193.08455	0.1
197.06013	0.2
202.58156	0.1
207.06459	0.2
221.08057	0.2
225.05377	0.8
229.04900	0.3
253.04924	2.3
270.05209	0.2
271.05966	100.0
272.06323	3.8
272.09348	0.2
274.11783	0.2
373.17105	0.2
401.13525	0.1
403.13672	0.2
433.10526	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.2554
Annotation	Unknow
Peak:m/z	Relative Intensity
51.05150	0.4
55.05518	2.7
57.03434	5.6
57.07058	1.3
67.05501	11.0
69.07064	2.0
69.63622	1.7
69.64045	1.8
71.08614	0.5
79.05482	3.0
79.89964	0.5
81.03401	0.7
81.07052	13.3
83.08613	1.9
91.05483	2.0
93.07036	3.2
95.04932	1.0
95.08607	10.4
96.08920	0.6
97.06536	1.0
97.10173	0.9
98.98457	1.1
99.08063	0.5
105.07019	1.6
107.08609	2.0
109.10146	4.3
113.00011	100.0
119.08565	2.0
121.10175	2.5
123.11689	2.0
131.01041	0.8
133.10103	2.8
135.11673	1.1
137.09644	0.8
137.13240	0.6
139.01588	0.7
147.11638	1.2
149.13251	1.2
151.01570	0.9
151.14905	0.7
154.02637	1.6
155.01077	0.7
161.13228	1.4
163.14793	0.6
169.02599	95.0
170.02945	0.9
175.14847	0.9
214.14134	0.5
245.22711	3.2
263.23688	6.5
401.53964	0.5
423.55621	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	432.1501
Annotation	Unknow
Peak:m/z	Relative Intensity
52.21421	2.3
53.03928	4.3
55.01851	2.9
55.05504	2.5
56.05026	3.9
57.03439	4.1
58.69185	2.1
60.04518	6.6
60.98126	2.0
62.42427	2.2
67.05505	4.0
67.83714	2.2
69.03429	4.0
70.06593	23.2
71.01353	4.2
71.04992	2.8
72.08137	16.5
73.02907	8.7
74.06099	2.8
79.05506	6.5
81.03409	7.0
81.07064	2.5
84.04510	14.6
84.08134	10.9
85.02892	25.8
85.04823	3.0
86.09697	93.4
87.10018	23.1
88.03997	3.2
91.05465	21.2
94.06609	3.1
95.01321	8.8
95.04962	10.3
97.02895	8.5
102.05527	6.9
105.03387	40.4
105.07008	2.8
107.04953	5.3
108.08087	2.5
110.07153	3.9
111.04457	2.8
113.02355	3.3
118.06559	9.9
119.04933	4.4
120.04465	6.4
120.08078	15.5
121.02847	59.7
121.06505	4.5
123.04431	5.4
124.07634	3.0
125.02382	3.4
125.07099	4.5
127.03938	4.0
129.10204	2.9
131.08557	71.5
132.10159	3.2
136.07593	15.0
141.01805	10.6
141.06546	2.6
143.11812	6.3
145.04927	3.2
146.06000	100.0
147.04427	3.7
149.05923	3.0
149.09595	14.0
152.04662	4.8
157.13255	2.9
164.07050	32.8
166.08574	2.2
167.07045	21.7
179.07021	12.1
189.12401	8.5
190.12639	5.6
195.06575	6.3
197.08145	5.7
198.13191	2.9
215.13901	6.6
216.14198	5.5
220.09688	6.7
220.14441	2.8
238.10721	40.8
243.13373	5.7
244.13574	5.9
247.12889	3.1
248.13136	4.1
256.11737	5.4
262.14651	3.7
312.13776	6.1
350.54401	2.4
414.14136	3.1
432.14929	10.8
433.15543	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	431.191
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	1.4
55.01849	1.4
55.05496	1.7
57.03430	1.5
57.07066	1.1
58.55371	0.6
61.02925	1.2
67.05508	3.0
67.49716	0.7
69.03080	0.9
69.03427	11.1
69.07069	8.9
70.06577	2.2
71.04984	1.1
71.52539	1.1
72.08152	2.9
73.02930	0.7
75.23614	0.6
79.05479	2.3
81.03410	3.7
81.07056	19.1
81.07529	1.4
83.04944	3.4
84.04492	0.9
84.08141	1.1
85.02449	0.8
85.02910	10.3
85.06544	3.6
86.09705	6.3
87.00855	2.9
91.05444	0.8
93.07021	2.2
95.04944	1.1
95.08602	5.3
97.02898	3.6
97.06522	2.0
98.97594	0.6
99.04456	3.2
99.08088	12.9
105.01854	2.1
105.07025	2.4
107.04963	0.9
107.08586	3.8
107.33969	0.5
109.02880	3.9
109.06532	4.9
109.10175	3.5
110.07194	1.1
111.08102	1.4
113.05984	1.3
118.49439	0.6
119.08559	1.9
120.08096	0.7
121.10134	10.7
123.08048	3.1
123.11692	5.4
125.09623	7.8
127.03905	5.5
127.07533	2.9
129.10204	0.6
131.08583	0.7
135.11662	1.1
137.09616	1.1
137.13239	1.8
139.11172	8.2
143.11766	1.6
145.04938	1.4
147.11691	2.2
149.09616	8.5
159.02882	1.0
161.09618	0.6
161.36162	0.7
165.12737	5.5
177.50826	0.6
183.10362	5.1
183.13799	100.0
184.14168	2.4
185.16513	1.1
220.89923	0.7
231.04813	0.8
237.02818	0.7
237.89169	0.6
263.13916	0.6
270.11337	0.9
308.11313	1.2
360.26227	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	430.2432
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	9.5
56.05012	5.5
56.96547	5.0
67.05491	7.7
69.03423	35.7
69.07046	12.0
70.06583	69.7
71.04987	10.1
71.06888	6.9
71.52644	6.3
72.08138	11.2
74.06071	5.6
79.05463	17.2
81.03409	8.6
81.07040	16.6
84.04488	13.2
84.08130	22.3
85.02885	18.5
86.09690	61.5
87.00826	6.3
87.10056	5.1
91.05392	11.3
93.07022	16.2
95.04956	14.9
95.08583	11.4
97.02882	10.9
97.06497	6.7
98.97543	8.4
100.52830	4.9
102.05589	4.7
105.07011	16.9
107.04939	4.8
107.08568	11.7
108.08081	4.9
109.02828	5.6
109.06523	8.3
109.10185	6.3
116.98636	11.7
119.08565	15.4
120.08064	10.5
121.10117	13.7
123.04401	7.4
123.08062	6.4
130.06516	5.0
131.08513	7.4
133.10114	33.7
134.10454	5.2
135.08141	6.0
136.07495	6.2
136.11139	6.0
137.05960	10.1
137.09587	23.3
145.10138	10.7
146.05940	5.0
147.08052	24.8
147.11667	14.1
159.11655	10.6
161.13222	11.9
163.11160	8.6
165.12747	7.5
171.11714	12.0
174.10385	8.6
175.07478	6.5
176.07820	7.6
177.59157	4.9
189.12747	32.8
201.05577	8.1
204.58450	5.4
207.13763	100.0
208.14020	4.9
225.14836	53.3
226.15239	6.9
232.16872	8.8
250.17955	46.5
268.18924	11.6
269.10666	5.4
280.42270	5.1
412.23135	8.5
424.42947	6.5
430.24814	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	428.2124
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.9
55.01872	2.8
55.05487	0.6
57.03428	5.5
57.27265	0.6
61.02922	9.7
67.05508	0.8
69.03423	14.7
69.07064	11.3
70.06587	3.5
70.06911	0.6
71.01379	0.8
71.04987	1.5
71.52035	1.3
73.02903	3.6
79.05476	1.2
81.03411	7.9
81.07047	3.6
83.01292	0.9
84.08143	0.8
85.02898	100.0
85.06528	1.4
86.03224	1.0
87.04456	2.6
91.03946	5.0
92.63051	0.6
93.07051	3.5
95.04954	0.8
95.08596	1.2
97.02887	24.6
97.06522	1.8
99.04439	6.0
99.08141	1.0
103.03921	0.8
105.07024	2.1
107.08585	1.4
109.02867	8.7
109.06486	1.5
111.08070	5.7
115.03888	1.1
117.06998	1.1
117.33552	0.6
119.08551	0.6
121.06519	0.9
122.06023	0.9
123.08058	0.9
127.03906	27.4
131.08591	1.8
135.08040	1.8
137.09604	1.6
145.04947	55.8
147.08031	0.8
149.09615	1.9
151.07521	1.0
153.09091	2.3
159.07913	1.0
163.06000	35.6
165.09134	1.7
175.05946	1.0
177.09131	2.6
181.07112	0.6
183.10176	1.9
195.10155	7.2
201.11252	0.9
213.11140	4.9
217.26431	0.7
231.12335	1.7
249.13341	1.1
304.61240	0.6
325.11310	1.0
334.36118	0.7
359.02921	0.8
429.21106	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.1388
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02373	0.8
53.03940	2.8
57.03429	0.8
61.02914	2.4
69.03425	8.6
70.06595	0.8
71.05003	0.9
71.41992	0.6
81.03412	1.8
82.53406	0.6
85.02429	1.1
85.02899	12.5
95.04958	2.9
97.02887	4.6
105.03383	100.0
106.03708	2.2
106.27895	0.7
108.21581	0.7
109.02869	2.2
123.04436	1.4
127.03919	8.1
145.04985	3.2
169.01845	0.6
189.05478	3.8
249.07632	2.5
267.08600	12.4
279.03708	0.8
354.48566	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.3723
Annotation	alpha-Tocomonoenol
Peak:m/z	Relative Intensity
55.05488	3.8
57.07069	19.2
67.05508	6.5
69.07047	4.3
70.78161	1.8
70.78497	2.1
71.08621	14.2
79.05486	2.2
81.07040	7.0
83.04984	1.6
83.08588	3.2
85.10159	6.1
91.05428	2.6
93.06998	3.1
95.08598	6.3
97.10151	3.2
105.07000	2.7
107.08602	7.3
109.10151	7.7
111.11679	1.4
112.49158	1.1
119.08554	4.3
121.06439	1.2
121.10122	3.2
122.07254	1.8
123.08018	1.3
131.08534	2.7
133.10120	1.6
135.08015	6.1
135.11685	1.4
137.09589	12.3
139.07516	3.0
141.26785	1.2
145.10103	1.7
149.09599	16.4
151.07524	2.5
159.08162	1.1
159.11606	2.4
161.09572	1.8
163.07565	1.6
163.11172	22.7
165.09096	100.0
173.09586	3.3
173.13182	1.2
175.07574	1.2
175.11168	7.3
176.08278	2.0
177.09097	16.3
177.12746	1.5
187.11147	4.2
187.14938	1.2
188.11798	1.1
189.12711	1.4
190.09949	1.5
191.10661	9.2
201.12700	4.4
203.10588	2.0
205.12228	10.9
215.14265	2.6
218.12816	1.2
219.13741	6.0
233.15402	3.5
236.59972	1.1
247.16914	1.4
261.18585	1.2
275.19955	1.6
289.21597	1.5
303.23212	2.3
345.27774	1.3
359.29340	1.4
373.30978	1.9
401.34018	3.6
411.36179	2.1
429.32114	2.0
429.37213	38.8
430.37875	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	430.1707
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05487	4.9
56.05028	9.1
58.06589	3.0
60.02803	3.2
66.86760	2.9
67.05496	4.2
69.03419	6.4
69.07076	6.5
70.06585	36.4
71.06940	3.4
71.52697	8.1
72.08158	37.9
73.02941	3.4
74.06066	8.6
78.99325	2.8
81.07045	5.2
82.38618	3.1
83.06097	10.9
84.04491	24.3
84.08141	28.1
85.02898	16.4
86.09703	100.0
87.05618	2.9
88.03995	5.5
91.05437	16.6
93.07007	4.1
95.04963	3.2
97.02905	6.5
97.03550	2.9
101.07145	13.5
101.44133	3.5
102.05526	7.0
104.90337	3.6
105.03371	4.9
110.07149	6.7
119.04951	8.3
120.08109	38.5
121.06389	3.2
121.52755	3.0
123.04464	4.8
127.03925	6.4
127.62431	3.6
129.10225	12.0
130.05025	7.8
132.10158	3.5
136.07571	9.8
138.09128	3.9
143.11749	6.8
147.04372	9.0
147.07652	11.3
155.06958	3.6
158.09631	5.9
159.49854	3.1
166.08830	3.6
167.05658	3.1
167.07056	6.0
171.11334	7.5
175.03801	8.0
176.06995	3.7
176.10710	7.1
177.10245	4.1
179.06815	3.5
182.13011	4.8
183.06534	5.0
183.11292	5.5
185.12872	4.5
189.12439	4.4
196.71533	3.4
197.12880	4.6
205.08652	5.1
206.10222	5.3
206.91537	3.0
207.06561	32.6
209.08122	4.6
218.08237	5.3
221.12828	33.2
225.07568	13.4
228.13417	4.0
242.14967	8.7
243.13506	4.2
249.12341	7.3
250.10722	7.9
250.18022	5.6
260.16068	3.7
268.11929	20.2
314.39542	3.4
317.18054	4.1
340.46567	4.4
405.24136	3.1
425.07043	3.6
430.21396	5.8
430.30426	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	427.1571
Annotation	Unknow
Peak:m/z	Relative Intensity
54.69861	0.2
57.03388	0.2
57.04547	0.5
69.03416	0.4
70.06581	1.0
70.64406	0.6
72.93797	0.2
81.03413	0.2
84.04485	0.2
84.08128	0.5
85.02904	0.3
86.09685	0.6
93.63264	0.2
94.04046	1.3
101.09534	0.2
101.83651	0.2
105.03378	1.4
106.03978	0.2
108.04315	0.2
110.07124	0.2
112.05110	0.3
119.03551	0.3
123.06655	0.9
133.05020	0.3
150.07738	100.0
151.08189	1.5
153.37971	0.2
159.44315	0.2
176.05751	0.2
179.07065	0.3
210.07549	0.2
212.98450	0.3
238.99864	0.3
269.01053	0.3
282.12039	0.6
295.11481	20.7
296.11874	0.4
321.00552	0.5
339.01550	0.5
364.43073	0.2
409.01816	0.3
427.19174	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.2324
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	5.9
55.01853	6.6
55.05502	17.6
65.03962	3.1
65.51157	2.9
67.05496	34.9
69.07056	18.1
71.08614	3.0
71.52924	4.7
76.51292	3.2
79.05480	40.2
81.03415	8.6
81.06589	6.2
81.07050	100.0
83.04979	4.3
83.08605	7.1
84.71230	3.0
91.05467	27.4
93.07043	24.9
95.04964	11.2
95.08614	23.9
97.06529	9.0
97.10157	4.1
105.07008	36.0
107.04947	13.9
107.08583	17.8
109.06499	29.2
109.10124	10.6
117.07012	11.3
119.08572	32.0
121.06496	9.5
121.10143	14.0
123.08046	7.2
123.11571	4.0
129.07016	4.9
131.08578	15.2
133.10127	25.3
135.08034	6.7
135.11713	7.9
137.09531	4.6
145.10072	9.9
147.11693	21.7
149.09616	13.4
149.13271	4.0
151.11116	4.5
157.10083	10.3
159.11685	14.0
161.13309	4.8
163.11221	6.2
165.12735	6.3
173.13202	5.2
175.11180	6.9
193.12236	5.9
239.17998	4.1
247.20412	6.5
257.19025	10.3
275.20044	90.8
276.20447	3.4
293.21085	27.9
382.03036	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.3775
Annotation	Pachysandienol B
Peak:m/z	Relative Intensity
53.06825	5.1
55.05493	9.1
57.86726	5.4
67.05496	21.4
69.07062	30.2
71.44849	14.6
79.05468	14.0
81.07050	53.1
82.58589	4.3
83.08602	12.7
91.05453	10.5
93.07041	29.0
95.08054	8.0
95.08607	83.6
97.10157	4.7
105.06995	13.8
107.08598	50.5
109.10161	46.3
111.11732	6.9
119.08606	30.5
121.10133	44.5
123.11687	32.0
131.08568	6.2
133.10156	33.0
135.11682	34.9
137.13251	15.4
145.10106	13.5
147.11708	24.3
149.13237	22.8
159.11685	11.8
161.13246	21.4
163.14781	23.4
173.13223	12.3
175.14795	16.9
177.16434	6.0
181.17526	4.9
184.07254	5.5
187.14883	9.3
189.16432	14.3
191.17955	12.9
203.17923	10.3
207.17395	10.1
217.19450	8.7
218.62207	5.3
231.21159	7.0
231.37074	5.2
243.21111	14.2
245.22549	13.8
257.22705	12.0
259.24063	6.5
269.22656	8.5
271.24261	13.3
285.25598	9.3
287.23392	6.6
329.28375	7.2
407.36679	44.4
425.37759	100.0
426.37979	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	426.169
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.0
54.47050	0.6
55.01854	0.7
55.05500	0.8
60.04523	0.7
61.02922	0.7
61.77182	0.6
67.05506	5.0
69.03417	1.6
69.47150	5.8
69.98751	0.6
70.06577	3.8
72.08123	1.1
79.05479	1.9
81.03390	2.0
81.07044	1.3
84.04492	1.7
84.08121	2.8
85.02910	4.4
86.09722	2.0
87.16476	0.7
91.05472	1.9
92.19035	0.8
93.07030	1.2
94.06558	9.9
95.04964	1.2
96.08119	1.8
97.02880	2.4
97.06524	7.1
99.04382	0.8
103.03955	1.3
105.03352	3.9
108.04480	5.1
108.08096	3.6
109.02869	0.8
109.05260	1.1
110.06020	1.0
110.09656	4.7
116.07097	0.9
120.08054	1.4
122.06016	100.0
123.06371	0.9
124.07573	17.5
127.03912	3.3
129.10248	1.5
136.07565	43.8
137.08298	1.3
138.09128	54.1
139.09476	1.0
145.04988	1.7
150.05486	63.1
152.07045	19.9
163.06001	1.7
163.08658	0.8
164.07047	17.4
164.08415	1.2
168.06544	20.4
170.08086	9.9
172.07718	1.1
174.09094	2.1
177.05365	0.9
178.08447	1.0
182.08093	2.6
188.10783	0.9
200.10745	2.2
203.07541	0.8
214.12283	1.6
227.11824	1.0
242.08127	1.7
242.11853	1.7
243.05215	1.0
243.11162	1.4
245.12926	3.1
259.14389	5.2
287.13867	57.1
288.14197	2.4
290.25729	0.7
305.14923	66.5
306.15048	1.8
381.49170	0.7
426.11407	0.8
426.17392	1.7
427.19318	1.1
437.45764	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.2894
Annotation	Unknow
Peak:m/z	Relative Intensity
51.56495	7.0
53.03941	15.3
55.01863	20.6
55.05509	19.1
57.03427	15.5
57.07048	10.7
57.28063	8.0
67.05498	95.8
69.03412	44.6
69.07069	42.7
71.04974	13.5
71.52859	7.9
71.53268	9.1
73.02900	6.9
79.05483	31.8
81.03400	46.7
81.07055	100.0
83.08604	15.8
85.02893	9.6
91.05471	21.0
93.07024	28.8
95.08605	85.5
97.02888	64.2
97.64912	7.4
99.04443	76.4
105.07020	18.6
107.08593	22.5
108.16267	7.9
109.02885	31.6
109.06578	8.9
109.10154	35.5
121.10115	20.0
123.11728	13.9
127.03903	82.0
128.89909	7.3
133.10161	13.6
135.11615	8.6
145.04959	9.4
145.10260	10.8
263.23712	28.3
406.58157	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	425.2895
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	8.0
53.91400	5.0
55.01852	9.9
55.05501	27.9
57.03436	5.6
57.07051	10.8
57.16159	5.1
64.56856	5.2
65.03936	10.2
67.05496	91.2
69.03430	31.5
69.07061	40.5
69.29397	50.3
69.29801	12.3
71.04974	6.9
71.08608	9.2
79.05494	38.9
81.03411	41.0
81.07048	100.0
83.04965	13.6
83.08607	16.4
85.02882	14.1
91.05455	39.2
91.67649	5.2
91.73742	5.9
93.07042	58.4
95.04958	9.7
95.08599	75.6
97.02883	14.3
97.06503	8.2
97.10137	11.4
99.08101	9.6
105.07012	32.4
107.08588	34.8
109.02904	8.7
109.10135	25.8
111.04387	10.5
117.06977	12.1
119.08576	35.2
121.06496	14.3
121.10126	24.7
123.04438	6.3
123.11677	15.3
127.03883	6.0
128.06259	6.7
129.06989	7.4
131.08548	21.9
133.10114	26.8
135.11688	18.3
143.08519	8.5
145.10133	18.3
147.11664	12.7
149.13202	10.7
157.10107	12.1
161.13216	12.6
163.14870	8.5
171.11681	7.8
173.13176	9.9
175.14853	9.8
187.14868	6.2
201.16451	8.0
202.01772	6.4
261.22180	5.8
263.23630	8.6
291.23349	8.9
305.24826	9.9
353.24680	7.2
371.25723	20.3
389.26819	17.5
397.50546	6.0
407.27692	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	425.2894
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	8.2
55.01858	7.6
55.05498	17.3
57.03440	6.2
57.07064	8.4
67.05500	86.8
69.03402	14.0
69.07063	22.9
69.76210	11.0
69.76624	13.8
71.04992	11.4
71.95225	4.5
73.02898	6.2
77.38155	5.1
79.05473	23.2
81.03410	15.0
81.07049	81.4
81.80527	4.0
83.08613	21.7
85.02888	6.4
91.05477	25.5
93.07024	25.2
95.04928	6.0
95.08591	60.2
97.02297	7.4
97.02884	100.0
97.10178	7.9
99.04444	52.5
105.07019	13.8
107.08578	13.8
109.02862	10.7
109.10149	29.8
111.11646	4.8
119.01915	8.0
119.08566	18.3
121.10124	17.4
123.11700	15.3
127.03098	3.9
127.03895	25.3
133.10143	12.5
135.11629	7.0
137.13231	5.9
140.80435	4.0
145.04919	8.6
147.11693	7.5
149.13234	7.8
161.02849	8.1
161.09602	4.3
161.13208	8.8
173.13266	4.3
175.14888	6.8
217.65747	4.0
245.05040	10.3
245.22519	10.7
252.71974	4.3
263.23679	32.9
386.37759	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	425.1778
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	1.0
60.91304	0.8
61.16911	0.8
66.04786	0.7
67.05500	1.9
67.60396	0.8
69.07065	1.8
70.65382	1.1
70.65725	2.6
79.05462	2.1
81.07045	7.9
84.08150	1.3
91.05467	1.4
93.07059	1.3
95.08603	2.9
101.21267	1.0
110.82565	1.0
113.21320	1.0
116.39235	1.0
117.07053	0.9
119.01937	1.3
127.03922	1.2
161.02959	1.1
165.09108	1.2
185.04085	1.3
187.00783	1.5
201.03746	1.7
203.05182	1.2
211.04909	0.8
212.90161	0.9
227.05278	2.5
229.03532	1.0
243.04793	12.6
245.06306	9.9
271.04288	2.7
287.03720	80.0
288.04221	1.1
289.05286	100.0
290.05667	2.5
381.18878	7.2
425.17807	73.2
426.17996	2.9
443.24203	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.1782
Annotation	GlcNAcbeta1-6GalNAcalpha
Peak:m/z	Relative Intensity
52.09595	0.4
67.05482	0.6
69.03391	0.5
69.07037	0.4
70.06590	3.3
71.32961	0.7
72.08143	0.7
76.28539	0.3
79.59745	0.4
81.03407	0.6
84.04498	0.8
84.08121	1.7
85.02873	1.0
86.09705	1.0
91.05447	0.6
93.07026	0.4
94.06565	0.8
97.06505	0.9
98.33749	0.4
102.05545	0.4
105.03373	0.9
109.02873	0.5
109.05268	0.5
110.05976	0.5
110.07159	0.6
114.92310	0.4
116.98653	0.4
119.01880	0.4
120.08066	0.5
121.06428	0.6
122.06023	6.6
124.07566	1.3
129.08492	0.3
129.10190	0.9
130.08627	0.6
136.07570	2.4
136.08449	0.4
138.09120	2.8
143.01971	0.4
145.02829	0.5
150.05489	4.1
152.07074	1.1
164.07053	1.2
168.06549	1.5
171.11290	0.4
173.03079	0.4
177.00661	0.5
177.05414	1.0
199.12354	1.9
219.01804	0.5
221.05121	0.7
227.11823	2.2
227.13834	0.4
237.02757	0.4
245.04997	0.4
245.12888	2.0
263.13925	1.0
287.13879	3.9
305.11920	0.5
305.15018	2.9
381.11166	0.9
425.17801	100.0
426.18280	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	425.1135
Annotation	Unknow
Peak:m/z	Relative Intensity
59.30828	0.6
65.40265	0.6
65.83412	0.7
70.98418	1.3
82.73537	0.7
82.99856	2.0
94.99850	1.0
97.02918	0.7
98.97583	1.0
101.00871	13.4
113.00861	2.5
119.01912	24.0
120.01963	0.9
122.95348	0.7
127.02415	1.9
131.01901	8.8
133.03481	0.8
137.02924	2.4
139.02368	1.6
143.01883	26.9
144.01965	1.1
145.03459	9.6
145.04549	1.1
147.01349	0.9
147.05074	1.3
149.02956	1.3
155.01875	10.9
157.03445	5.7
161.02939	49.4
162.03084	1.6
163.04509	1.3
167.01880	7.2
167.03171	0.9
169.03418	3.9
171.05029	2.1
173.02942	21.1
175.04543	2.4
179.01871	3.0
179.04041	1.3
184.04544	1.7
185.02936	35.7
186.03162	1.1
187.04526	3.8
189.00647	0.7
189.06174	1.1
191.03996	3.9
191.36018	0.8
197.02928	12.9
203.03961	16.1
204.04169	0.7
209.02992	1.1
215.03975	6.7
221.05087	1.3
227.03995	8.0
233.04979	0.9
239.04088	0.7
245.05052	100.0
246.05240	5.4
257.05042	6.9
263.06110	25.1
264.06323	1.1
272.45139	0.8
275.06064	11.6
281.01755	0.9
291.09204	0.8
293.07175	3.7
305.07153	9.0
306.07211	0.9
323.03024	0.7
335.08215	3.1
365.09253	4.2
407.06323	1.1
425.11591	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	425.1134
Annotation	Unknow
Peak:m/z	Relative Intensity
59.40654	0.4
61.02242	0.4
68.98296	0.5
70.99897	0.5
71.51823	0.4
81.03407	0.5
82.99869	2.6
85.02882	0.5
86.99315	0.4
97.02895	0.9
101.00865	14.1
103.68059	0.4
109.02846	0.5
109.62847	0.4
113.00854	2.4
115.02447	0.4
118.01299	0.3
119.01914	29.0
120.01991	1.1
124.16016	0.4
127.02402	1.8
129.03954	0.7
131.01891	10.0
133.03487	0.7
137.02937	2.6
139.02380	0.5
142.03464	0.6
143.01888	28.0
144.01984	1.7
145.03450	11.0
147.01360	0.9
147.05014	0.5
149.02925	1.3
155.01872	12.7
157.03448	7.3
161.02946	51.7
162.03055	2.0
163.04506	1.4
167.01883	8.1
169.03471	2.4
171.04993	2.3
173.01425	1.0
173.02943	19.8
174.03215	0.9
175.04552	2.0
179.01865	2.8
179.04060	0.6
181.03456	0.8
184.04565	1.4
185.02945	35.2
186.03061	1.6
187.04486	4.8
191.03993	4.9
196.04593	0.5
197.02951	15.1
198.03131	0.9
203.03996	16.1
206.67799	0.4
208.04507	1.1
209.02917	0.5
215.04007	7.8
221.05038	2.0
227.04007	8.5
233.04982	0.7
239.03941	0.6
245.05055	100.0
246.05223	4.2
250.92061	0.7
257.05017	5.4
263.06116	26.6
264.06442	1.1
275.06079	12.2
276.06357	0.6
284.16086	0.4
286.07782	1.0
293.07193	4.2
305.01990	0.4
305.07144	9.6
308.92636	0.6
316.08636	0.5
317.07056	0.6
335.08270	2.9
344.58258	0.4
356.64572	0.4
365.09201	5.6
383.10248	0.5
404.77866	0.4
425.11676	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	423.31
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	6.2
57.03413	4.3
57.07055	3.6
67.05487	9.0
69.07051	10.0
69.58000	2.5
70.81453	4.8
70.81779	3.2
71.08621	3.4
71.64531	2.2
73.77947	2.5
79.05486	4.5
81.07043	24.2
83.08618	3.5
85.06530	2.9
91.05451	3.0
93.07032	9.3
95.08585	10.1
97.06493	3.5
98.20831	2.5
105.06992	5.6
106.52776	2.3
107.08595	10.8
109.06522	12.3
109.10146	7.1
119.08562	9.3
121.10139	5.1
123.08050	47.4
123.11677	3.3
123.28712	2.7
131.08617	3.8
133.10098	6.7
135.08064	6.5
135.11713	2.6
137.09561	2.3
145.10126	4.1
147.11685	3.1
149.09538	3.0
149.13190	3.3
159.11617	3.0
179.14316	27.7
198.09142	2.4
241.15218	2.9
256.61459	2.4
263.76315	2.5
271.59055	2.5
275.20087	5.2
282.78912	2.4
293.21222	3.4
303.26834	4.9
331.26263	32.7
349.27457	11.6
405.30130	2.5
423.31052	100.0
424.31589	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	425.0844
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96551	9.8
66.39240	3.0
67.89425	3.0
69.52041	24.1
70.06572	11.1
71.04989	3.3
72.08132	6.0
84.08125	9.6
85.02905	5.1
86.09702	5.5
98.97559	5.7
116.98642	5.6
117.03370	4.9
120.08046	3.9
126.66223	2.7
127.03931	4.2
129.10210	6.8
131.08539	11.0
136.07597	5.8
138.09146	3.2
145.02805	6.3
145.74445	3.1
161.01228	3.9
177.05525	16.2
203.97247	9.6
205.01649	4.0
221.98323	15.7
223.02766	13.2
237.02776	6.4
255.05466	10.2
260.81888	3.4
269.03195	14.5
273.06522	4.8
281.03317	14.6
299.04340	35.1
425.08179	100.0
425.14209	55.7
426.08429	4.3
443.08456	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	423.31
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	1.6
55.05506	5.9
56.45110	0.7
57.03426	3.2
57.07059	2.9
60.28125	0.8
67.05503	10.9
69.03419	0.9
69.07061	12.1
69.63792	5.3
71.04988	1.9
71.08614	1.9
74.31333	0.7
77.09368	0.7
79.05492	5.8
81.07053	15.4
83.04996	0.8
83.08624	4.5
85.06522	0.9
91.05475	3.7
93.07035	9.3
95.08600	15.0
97.06527	2.5
97.10139	1.9
99.08101	1.4
105.07027	6.7
106.37878	0.9
107.08590	8.7
109.06511	12.3
109.10155	6.6
111.08047	2.0
119.08577	7.1
121.06480	1.2
121.10162	5.3
122.07278	0.9
123.08057	59.4
123.11693	2.7
124.08453	1.1
131.08534	2.4
133.10133	4.7
135.08023	9.8
135.11671	2.8
137.09622	4.0
137.13205	1.3
145.10103	2.8
147.11682	2.8
149.09593	3.4
149.13269	1.8
151.11168	1.3
159.11642	3.2
161.13240	1.2
163.11089	0.9
163.14763	1.0
165.12788	1.1
173.13313	1.8
177.12766	3.7
179.14299	19.8
193.15874	0.9
233.19090	1.4
247.20534	1.2
261.22089	0.8
263.20105	1.5
275.20087	5.1
289.25275	1.4
293.21082	3.0
303.26678	4.4
310.87155	0.8
331.26300	35.8
332.26758	2.4
349.27292	8.8
367.24847	2.4
405.30017	2.9
423.31024	100.0
424.31226	6.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.3103
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	1.5
55.05504	5.1
57.03438	2.0
57.07066	4.7
67.05502	8.9
69.07076	7.1
70.95383	2.4
71.04991	1.4
71.08627	5.8
79.05511	6.1
81.07056	12.6
81.66708	1.1
83.04969	2.0
83.08624	1.5
85.06548	2.2
91.05462	4.9
93.07026	9.1
95.04968	2.4
95.08592	10.2
97.06538	1.7
97.10149	2.1
99.08082	2.8
104.36781	1.2
105.07019	5.9
107.08566	7.9
109.06510	16.9
109.10147	4.3
117.07061	1.6
119.08601	4.7
121.10148	4.8
122.07308	1.3
123.08057	27.5
123.11681	2.2
131.08595	3.1
133.10121	3.4
135.08054	6.5
135.11700	2.0
137.09627	1.5
145.10124	2.8
147.11623	1.7
149.09639	2.7
149.13161	1.6
154.21353	1.3
159.11665	2.5
161.13235	1.5
167.14310	1.6
168.80989	1.4
173.13324	1.5
175.14778	1.8
179.14299	81.5
180.14716	2.6
186.91037	1.2
191.14323	1.7
193.15852	2.9
205.15863	3.7
211.04884	1.1
215.78833	1.3
271.05948	2.6
275.20264	1.8
303.26825	2.3
323.80289	1.2
331.26260	36.6
332.26694	2.5
344.94818	1.1
349.27289	8.4
375.24594	1.3
405.29843	2.7
423.31052	100.0
424.31427	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	423.31
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	2.1
55.01859	2.1
55.05509	7.2
57.03421	2.6
57.07080	5.3
57.54588	0.8
65.03918	1.4
67.05499	16.5
69.03413	2.3
69.07059	9.0
70.25393	1.5
70.25745	2.0
71.04972	2.6
71.08645	4.7
73.06519	0.7
75.04465	0.7
79.05067	1.1
79.05487	13.3
81.03410	1.9
81.06589	1.3
81.07047	21.5
83.04977	2.0
83.08595	3.1
85.02886	0.9
85.06536	2.3
91.05480	8.2
93.07034	17.2
95.04947	1.5
95.08601	17.5
97.02885	13.8
97.06529	2.0
97.10160	1.7
99.04454	7.4
99.08077	2.5
105.07030	8.3
107.08595	11.4
109.02857	2.7
109.05804	1.4
109.06512	21.2
109.10158	6.9
111.08062	1.9
113.60364	0.8
117.06993	2.4
119.08556	8.6
121.06473	1.5
121.10129	9.5
122.07289	2.0
123.08058	33.8
123.11687	2.9
127.03918	4.8
127.04681	0.8
129.07027	0.9
131.08525	3.9
133.10121	5.1
135.08057	6.5
135.11650	3.9
137.09575	1.4
137.13184	1.7
139.11227	0.9
143.36697	0.7
145.04948	1.9
145.10101	3.6
147.11696	3.9
149.09633	1.7
149.13240	3.8
151.11209	1.1
159.11671	2.8
161.13248	3.2
163.14799	0.9
165.12715	1.4
167.14311	1.4
173.13234	1.4
175.14868	1.1
177.12689	2.1
179.14297	82.3
180.14639	2.2
187.14798	1.6
191.14334	1.9
193.15804	3.2
205.15869	3.9
233.19006	1.4
261.22119	3.9
263.19980	0.8
275.20065	1.3
289.25296	1.0
303.26740	2.2
303.30087	0.8
331.26294	30.9
332.26669	1.7
349.27390	9.6
367.24716	1.3
386.98688	0.7
405.29977	2.0
421.94022	0.8
423.31024	100.0
424.31525	7.2
428.94376	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.2738
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	4.8
55.01873	11.2
55.05504	15.0
57.03422	6.2
57.07052	6.3
64.62325	1.6
65.03934	2.6
67.05501	49.6
69.03425	18.7
69.07065	18.2
69.36137	15.8
71.04977	7.8
71.08617	3.6
73.02898	5.0
79.05488	33.8
81.03418	17.2
81.07048	55.4
83.04970	4.3
83.08607	7.2
85.02886	5.8
85.06540	3.0
91.05477	20.0
92.02872	1.6
93.07035	37.8
93.07630	2.2
94.25848	1.7
95.04920	3.8
95.08598	41.6
96.03094	1.7
97.02884	31.5
97.06525	5.1
97.10159	2.4
99.04452	31.0
105.07027	20.3
107.08587	25.6
109.02867	13.3
109.06523	13.5
109.10139	14.7
111.04483	2.5
111.08078	4.3
117.07002	5.9
118.51350	1.9
119.08579	17.1
121.10142	21.7
123.08052	53.9
123.08963	2.7
123.11698	8.5
127.03905	36.6
129.06996	1.7
131.08531	10.7
131.19809	1.8
133.10121	14.6
135.08058	9.6
135.11687	13.2
137.09627	3.4
145.04935	5.4
145.10123	11.3
147.11678	12.9
149.09634	2.0
149.13245	8.2
151.11154	2.1
159.11699	10.0
161.13242	5.9
163.11127	2.2
163.14824	2.5
165.12730	1.9
171.11644	2.6
173.13307	5.2
175.14861	3.6
177.12714	3.8
179.14299	33.1
181.10349	2.1
187.14882	2.8
194.75075	1.8
201.34584	1.6
202.19922	1.6
205.15942	1.8
209.77762	2.1
233.19124	2.1
241.19514	2.8
243.21098	3.4
259.20630	5.0
261.22092	13.0
271.05811	1.9
275.20029	6.2
289.21753	2.2
293.20920	2.4
303.26898	4.5
312.63104	1.7
327.07358	1.9
331.26276	35.2
349.27396	6.5
392.73645	1.8
415.70294	1.9
423.31088	100.0
432.37869	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.2736
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	7.5
54.79521	1.7
55.01862	6.9
55.05508	29.6
57.03423	12.8
57.07055	5.8
59.04970	2.1
65.03922	5.0
67.05499	82.2
69.03425	35.6
69.07059	31.8
69.59389	15.5
71.01358	2.6
71.04970	9.1
73.02901	2.6
77.03913	2.1
79.05008	3.1
79.05483	70.2
81.03410	45.8
81.07047	100.0
83.04965	12.5
83.08603	14.4
85.02896	19.1
85.06543	3.5
87.04456	3.4
91.05467	61.5
93.07035	91.1
95.04943	17.0
95.08595	76.3
97.02872	13.9
97.06531	9.6
97.10164	8.5
98.21463	3.9
99.04471	10.2
99.08082	2.7
101.06018	2.0
103.03915	5.7
105.07019	59.9
107.04926	8.6
107.07877	3.7
107.08585	51.5
109.02867	5.7
109.06496	10.5
109.10150	28.7
111.04440	11.7
111.08077	6.8
111.11739	3.1
115.05390	3.4
117.07006	28.9
119.08575	53.1
120.55616	2.2
121.06477	7.9
121.09325	3.5
121.10136	46.5
123.04408	4.7
123.08038	5.3
123.11654	12.3
125.09624	6.3
127.03905	5.9
128.06226	3.5
129.05453	6.8
129.06984	13.5
130.07790	3.2
131.04979	2.3
131.08548	46.6
133.06490	5.3
133.10126	38.9
135.08035	6.3
135.11684	32.2
137.09584	5.2
137.13239	3.5
139.07489	3.1
139.11107	3.7
141.06952	4.5
142.07767	3.0
143.08528	18.1
145.04895	2.5
145.06490	4.9
145.10104	30.7
147.08032	7.6
147.11674	26.6
149.09608	5.4
149.13243	20.9
151.11166	2.6
151.14848	2.1
153.06831	2.1
155.08514	6.7
157.06480	2.4
157.10132	13.6
159.08055	4.7
159.11676	27.4
161.09573	4.7
161.13194	16.8
163.11115	4.6
163.14778	10.6
169.10112	7.9
171.08058	4.1
171.11662	13.9
173.09560	5.2
173.13225	20.7
175.11209	2.8
175.14818	7.5
177.12729	2.8
177.16405	2.6
179.14232	2.9
181.10104	2.1
183.11691	7.6
185.13271	10.2
185.85851	2.1
187.11143	3.1
187.14793	8.5
189.12622	4.0
191.10587	2.3
191.14281	3.2
197.13255	4.9
199.11171	4.3
199.14841	7.8
201.16475	3.2
203.14330	4.6
207.13925	3.4
209.13228	2.4
211.11058	3.0
211.14767	4.6
213.12698	4.3
213.16261	5.0
223.14851	3.2
225.12834	2.1
229.16002	2.7
231.13800	4.2
231.17400	3.2
235.16826	2.7
241.19434	6.3
243.21075	7.8
249.14755	3.8
259.20612	16.9
261.22104	37.6
271.20764	3.1
273.22046	5.5
275.23593	3.4
277.21564	6.7
285.22122	6.2
289.21539	6.9
291.23114	5.7
299.23529	2.4
301.21576	5.3
303.23175	16.6
315.23022	6.3
319.22568	3.7
327.23062	5.7
341.24728	4.6
345.24063	5.8
351.23041	6.1
357.24072	2.4
359.25522	2.9
369.24155	27.6
387.25256	22.2
405.26266	25.5
423.27057	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	423.2737
Annotation	spinosyn macrolactone
Peak:m/z	Relative Intensity
55.05501	30.1
67.05499	96.8
69.03413	38.3
69.07053	37.7
71.52798	18.5
73.45473	9.9
75.34594	10.3
79.05501	62.8
81.03407	43.1
81.07048	94.3
83.05005	15.8
91.05466	50.6
93.07036	100.0
95.04930	16.1
95.08595	79.6
97.06537	11.2
97.10111	16.0
99.04457	14.4
105.07014	54.6
107.08569	39.1
109.10142	35.3
117.07007	23.5
119.08562	33.9
120.78573	13.2
121.10117	37.4
129.06943	13.3
131.08545	33.9
131.73112	12.6
133.10133	31.0
135.11708	21.0
143.08527	28.0
145.06419	13.2
145.10091	32.3
147.07976	17.1
147.11708	13.3
149.13220	16.6
155.08493	12.8
157.10109	23.2
159.11714	21.9
161.13216	24.2
171.11760	12.4
184.53427	12.4
185.81741	15.4
197.13229	12.5
240.37189	13.1
259.20456	17.9
261.22159	29.0
303.23203	17.7
340.15594	17.9
349.89825	12.2
369.24295	15.8
387.25211	23.3
405.26114	29.6
423.27426	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	423.2735
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	13.2
55.05506	35.6
57.03444	14.6
67.05499	77.2
69.03441	32.2
69.07067	29.0
71.04977	11.3
71.52650	9.0
79.05498	70.8
81.03412	39.8
81.03806	5.9
81.06599	6.9
81.07052	100.0
83.04977	15.7
83.08606	16.7
85.02892	24.5
91.05486	55.5
93.07040	81.9
93.18642	6.4
95.04971	22.1
95.08604	69.0
97.02896	25.8
97.06464	14.7
97.10165	7.6
99.04430	12.5
105.07038	46.2
107.04883	6.4
107.08591	46.3
109.06509	14.4
109.10177	33.7
109.89148	6.7
115.57330	6.5
117.07015	27.6
119.08566	45.2
121.10133	42.7
123.11699	19.6
128.06224	6.3
129.06921	12.5
131.08556	42.6
133.06416	7.8
133.10107	41.9
135.11676	27.5
143.08539	8.7
145.10103	19.9
147.11694	19.8
149.09567	5.8
149.13278	19.2
157.10143	7.6
159.11722	24.7
161.09647	7.9
161.13228	12.6
163.11177	6.4
165.09010	7.1
169.10143	8.2
171.11707	9.1
173.13329	15.2
175.11168	8.7
175.14784	9.8
179.14374	7.6
185.13199	6.9
187.14793	7.1
199.14900	9.4
201.16348	7.0
243.21179	8.5
259.20663	9.4
261.22125	25.6
277.21640	15.5
293.05365	6.6
303.23178	14.7
304.87314	6.9
369.24152	21.4
387.25421	22.9
398.01550	6.6
405.26141	25.3
423.27161	20.5
423.31836	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	423.2349
Annotation	Arg Phe Thr
Peak:m/z	Relative Intensity
57.07080	1.0
66.92986	0.6
67.05474	1.1
68.08880	0.6
70.06586	1.3
71.13742	0.6
71.14072	1.2
81.07070	1.0
88.07619	2.2
89.07930	0.6
102.09216	1.5
107.08582	0.6
109.03255	0.7
119.08576	0.8
121.29279	0.6
124.88720	0.6
132.45126	0.6
139.63097	0.6
144.71129	0.7
149.02319	7.9
149.03381	0.9
150.02640	3.4
166.83708	0.6
193.04967	6.8
194.05252	5.8
236.02196	0.8
256.26382	1.9
257.26733	3.6
349.19870	1.0
423.23550	100.0
423.29248	11.9
424.23917	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	423.2734
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	12.7
55.01855	7.1
55.05513	30.9
57.03439	9.4
57.07060	8.7
67.05135	7.3
67.05500	99.3
69.03425	45.0
69.07065	28.3
71.04978	10.3
71.52901	8.8
79.05485	68.9
81.03410	50.8
81.07044	100.0
83.04965	15.4
83.08588	17.2
85.02895	29.7
91.05476	63.1
93.07040	79.9
95.04955	18.0
95.08604	70.6
95.92483	4.7
97.02878	19.9
97.06515	8.9
97.10149	6.2
99.04418	8.9
105.07014	55.7
107.08588	61.7
109.02908	6.6
109.06509	16.6
109.10154	37.1
111.04401	8.8
111.08081	6.9
117.07010	29.3
119.08572	39.1
121.06480	11.5
121.10159	39.8
123.11703	14.6
127.03950	7.8
128.30164	5.1
129.05545	6.0
129.07022	14.2
131.08534	37.3
133.10117	31.3
133.61549	6.1
135.11682	24.2
137.09624	6.3
137.13199	4.9
141.07011	5.8
145.06470	6.2
145.10130	32.9
147.11621	25.0
149.13203	12.2
152.47339	5.6
155.08519	5.9
157.10094	14.4
159.11720	28.4
161.13248	16.8
163.14790	11.0
171.11598	12.7
173.13295	15.4
185.09677	5.0
185.13145	7.9
197.09564	5.0
197.13300	6.4
199.14848	5.6
243.21140	6.1
259.20599	14.6
261.22147	26.8
277.21564	7.7
281.51117	5.7
289.21765	8.4
301.21472	8.9
303.23151	15.1
319.22662	5.8
341.24667	7.0
351.23032	6.9
369.24200	17.8
387.25256	20.3
405.26517	26.5
423.27057	27.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.0953
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	4.9
55.01846	1.6
58.63839	1.4
69.99599	8.8
70.06577	4.4
71.56603	1.6
72.08135	2.5
77.19296	1.5
79.05473	4.5
81.03398	2.4
83.46262	1.4
84.04514	2.6
84.08142	15.7
85.02908	2.2
86.09682	3.3
87.13467	1.4
91.05485	2.2
95.04934	4.2
99.04462	2.1
105.03385	100.0
106.03706	2.3
120.08081	7.5
123.04388	5.3
127.03920	4.2
129.10207	11.0
136.07567	3.8
155.03343	2.0
173.56113	1.6
179.07021	27.9
197.08070	8.7
251.56519	1.6
261.07840	2.1
295.12961	1.4
313.08176	1.5
321.77069	1.9
423.25937	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.1345
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96569	7.1
57.03436	1.1
66.61958	0.9
69.03409	3.3
69.84747	3.7
69.85149	2.3
70.06580	1.6
70.98119	1.0
77.00903	1.2
77.97936	1.0
81.03426	1.7
82.99829	2.2
84.08138	1.0
84.96024	2.5
85.02886	4.0
97.02867	2.4
98.97559	6.3
101.00871	10.0
101.04234	1.7
110.07146	1.0
110.97530	1.7
113.00866	3.1
115.02438	1.8
116.98598	3.8
119.01913	33.8
120.02032	1.2
123.49873	1.0
128.33218	1.0
128.98604	2.0
129.03922	2.0
131.01892	14.8
131.05562	6.9
133.03476	5.5
134.99635	3.0
137.02931	4.6
143.00153	1.8
143.01886	56.9
144.02039	2.7
145.03496	5.7
146.99617	1.6
147.01401	1.9
147.05077	1.7
149.02951	3.3
149.06595	10.2
155.01863	20.1
155.05527	1.0
156.02798	1.2
157.03424	4.3
158.99675	2.0
159.05002	3.8
161.01343	4.3
161.02943	100.0
162.03075	4.2
162.99190	1.4
163.02690	1.8
163.04474	1.0
166.98203	1.1
171.05017	2.5
172.01390	1.5
172.04262	6.4
173.01463	1.1
173.02957	26.3
173.06583	26.6
175.04553	2.3
177.00667	3.1
177.06163	5.3
179.02234	2.1
179.04033	1.2
183.04967	1.3
184.04523	7.0
185.04942	2.1
185.06580	25.9
186.99283	1.1
187.04443	1.9
187.08170	4.4
189.02484	1.5
191.07639	8.3
196.04561	1.5
197.06598	2.8
199.08145	1.2
201.06044	1.7
203.03926	5.1
203.07631	13.9
205.00232	2.5
209.06567	1.5
215.07643	11.0
215.55563	1.7
219.01720	1.4
221.05022	16.1
223.01062	2.3
226.05641	1.2
227.07610	2.4
233.08711	4.0
237.02832	3.1
244.06711	1.1
248.99184	1.3
257.08728	4.0
261.08725	1.9
275.09714	28.5
293.10782	77.9
294.11044	4.1
309.08624	1.4
316.12378	3.4
324.23010	1.1
333.06580	1.1
335.11880	5.1
377.13510	1.0
405.12320	17.4
405.17178	1.7
406.12653	1.9
423.13483	58.3
424.13785	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	421.3168
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07075	17.0
58.06589	0.6
67.05479	0.6
70.06577	2.2
70.78304	0.3
70.82281	1.0
84.08142	0.4
88.07604	2.3
93.07064	0.4
95.08578	0.4
102.09166	2.0
105.07025	0.4
107.08577	0.4
117.06985	0.5
125.07116	1.9
126.05471	2.7
135.08067	0.5
149.02336	12.0
149.03444	0.7
191.11897	0.4
193.04942	13.5
208.14436	1.1
209.12862	6.5
210.11198	0.7
218.12843	2.6
219.11261	1.5
256.26352	6.1
260.15256	0.6
275.17557	4.1
292.20157	4.5
293.18521	4.9
302.18610	9.5
303.19077	0.7
347.25800	1.1
358.24823	1.3
376.25916	100.0
377.26291	6.4
394.26981	4.7
403.18991	0.4
421.31931	3.4
422.28946	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	422.238
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.4
55.01861	1.9
55.05507	3.8
56.05021	1.5
57.03442	2.6
60.04523	1.1
61.02925	2.1
67.05495	3.5
69.03427	5.8
69.07051	3.1
70.06586	12.1
71.04985	2.6
71.52293	1.8
71.61511	1.1
72.08148	5.3
79.05473	4.1
81.03416	2.8
81.07043	4.0
83.04998	1.6
84.04498	2.7
84.08133	6.1
85.02899	9.6
86.09707	11.3
87.04464	1.1
87.10023	1.3
91.03900	1.1
91.05466	6.6
93.07035	6.3
95.04964	1.5
95.08616	4.1
97.02899	3.7
98.97601	1.4
99.04438	2.0
105.03401	1.3
105.07016	7.3
106.97604	1.1
107.04961	1.6
107.08577	5.7
109.02882	1.8
109.06520	2.0
109.10138	12.3
110.07117	1.9
111.08057	2.8
119.08540	5.5
120.08086	7.9
121.08424	3.6
121.10137	8.8
123.08054	2.7
123.11666	2.3
124.11131	1.1
125.06022	1.4
125.09637	1.5
127.03930	2.4
129.10243	4.7
131.08543	1.2
133.06480	2.3
133.10132	11.2
135.08073	1.9
135.11662	5.6
136.07558	1.8
137.05981	2.5
137.09592	6.2
145.04932	2.6
145.10141	2.0
147.07985	1.9
147.11662	2.8
149.09602	100.0
150.09918	3.5
151.07501	1.8
151.11188	11.4
153.05418	1.7
161.09570	7.4
161.13252	4.4
163.11162	14.1
165.09116	2.0
165.12729	1.8
167.07022	8.8
168.07854	6.0
169.12207	12.1
171.11652	1.6
174.10452	1.9
179.10696	2.5
179.14330	1.3
181.12270	1.8
189.09074	4.0
189.12723	13.5
207.10107	3.3
207.13779	9.2
215.07037	11.9
215.91087	1.0
225.11142	4.8
225.14810	28.8
226.15271	1.7
243.15898	55.0
244.16284	2.6
261.07593	5.8
301.11673	3.0
315.44290	1.1
357.19699	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.2945
Annotation	Unknow
Peak:m/z	Relative Intensity
51.43590	1.3
53.03936	2.4
55.01862	4.8
55.05511	10.3
56.09011	1.3
57.03434	9.6
57.07073	33.9
67.01305	1.5
67.05497	14.2
68.75140	1.5
69.03440	2.0
69.07063	12.5
70.06577	2.4
70.25004	1.4
71.04983	1.9
71.08561	2.0
71.10604	3.0
74.18974	1.3
79.05490	11.9
81.07050	23.0
83.04965	3.5
83.08619	5.8
85.06533	15.9
88.07633	3.4
90.44862	1.4
91.05477	7.1
93.07025	13.0
95.08604	18.7
97.06525	5.8
99.64658	1.5
101.43608	1.4
102.09235	1.8
102.71651	1.3
104.13256	1.3
105.07024	7.9
107.08583	17.8
109.06504	16.7
109.10153	9.9
111.04465	2.3
111.08061	5.2
117.06982	2.0
119.08601	10.0
121.10150	8.1
123.08056	12.7
125.05978	4.6
131.08554	4.7
133.10109	6.1
135.08047	34.0
135.11655	2.3
136.56300	1.2
137.05945	22.7
139.07570	1.9
145.10121	4.0
147.08070	2.3
147.11682	3.8
149.02342	4.4
149.09618	5.1
149.13280	4.1
151.07516	7.1
151.11220	5.1
159.11691	3.2
161.09663	4.3
161.13300	1.5
162.03123	3.5
163.11128	2.6
165.12759	9.9
167.14371	1.8
171.11705	3.4
175.11101	1.9
176.10828	1.4
177.12711	10.2
179.10719	2.3
179.14325	5.2
184.04474	6.0
191.14333	4.0
193.04938	3.3
193.12279	2.9
198.74138	1.6
206.05763	5.4
207.13800	9.4
233.19009	3.2
233.81706	1.9
234.89430	1.5
256.26407	3.0
260.88528	1.4
263.20096	5.9
277.17972	3.4
291.19620	2.2
301.25165	1.7
305.25076	2.0
306.66187	2.8
307.16312	1.7
319.26291	12.7
329.24557	8.1
334.68964	1.8
337.27258	6.8
347.25787	100.0
348.26050	3.6
365.26840	17.9
385.09058	2.1
393.30066	12.7
403.28589	3.6
421.29407	83.7
421.78482	6.1
422.29623	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.2942
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	2.3
55.01853	6.7
55.05502	12.0
57.03431	13.6
57.07060	11.0
67.05499	25.8
69.07056	29.5
71.04993	3.0
71.08607	4.0
71.52287	2.2
71.52660	3.1
79.05484	16.4
81.06656	2.5
81.07051	28.5
83.04967	4.9
83.08591	8.0
85.06537	6.4
88.30909	2.3
91.05472	11.8
93.07028	26.6
95.04960	2.2
95.08607	18.6
97.06493	10.5
97.95269	2.0
100.12612	2.0
105.07041	12.0
107.08592	30.0
109.06511	18.0
109.10159	11.1
111.04417	5.2
111.08109	5.7
119.08553	8.1
121.06516	2.8
121.10137	9.3
123.08057	11.3
123.11683	3.4
125.05998	5.5
131.08453	4.6
133.10121	8.5
135.08040	38.9
135.11647	14.1
137.05949	18.0
137.09584	4.3
139.07529	2.2
145.10065	4.5
147.11682	5.6
149.09624	5.7
149.13251	4.8
151.07573	9.6
151.11156	2.2
153.12799	3.4
159.08023	2.2
159.11732	2.5
161.09659	4.4
161.13310	2.2
163.11147	2.4
165.12744	5.3
171.11656	3.8
175.11201	2.4
177.12769	15.9
179.14296	4.7
181.12248	7.7
191.14265	3.6
193.12253	5.0
217.14287	2.3
221.19070	3.4
235.20529	3.8
249.18430	3.2
251.96358	2.0
263.20044	5.1
287.23572	3.4
305.24707	74.6
306.25006	3.6
319.26300	24.8
329.24728	15.0
347.25757	100.0
348.26093	3.6
365.27072	9.5
393.29901	7.1
403.28271	4.6
421.24066	4.2
421.29489	65.7
422.29742	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	420.1499
Annotation	Unknow
Peak:m/z	Relative Intensity
52.60677	2.0
53.03935	8.7
55.01860	8.7
56.05014	2.2
56.52044	2.1
57.03427	6.9
60.04494	2.5
61.02911	7.6
66.58974	1.8
68.99795	2.9
69.03426	35.9
70.06593	22.5
70.89639	6.0
71.01328	2.5
71.04987	4.3
72.08145	9.6
73.02905	7.8
77.23115	1.8
81.03410	34.3
84.04489	7.4
84.08134	7.1
85.02900	100.0
86.09692	13.1
87.00821	38.3
88.03969	2.7
91.03944	3.3
91.05479	8.6
97.02882	44.5
99.04442	15.0
103.03933	2.7
105.01852	40.5
105.03385	3.8
105.06997	3.5
107.04950	6.7
109.02880	27.8
110.07177	3.2
115.04021	2.7
117.01845	5.7
119.04895	3.1
120.08115	3.4
123.04478	2.4
127.02979	3.1
127.03913	59.1
129.01805	5.0
129.06992	2.7
129.10265	3.4
133.06598	2.2
136.07524	2.4
137.05957	20.7
145.04941	29.5
147.02838	3.8
147.04439	2.5
149.05978	2.9
149.09630	2.9
151.07532	14.4
157.06448	2.3
159.02927	15.2
161.05978	13.3
162.11435	2.2
165.05457	9.3
167.07027	5.2
172.04138	2.4
175.07527	6.9
177.05444	2.6
177.07344	2.1
179.07013	36.3
185.06000	2.7
189.03931	9.4
189.05423	2.5
197.08090	2.2
197.61388	1.9
199.07576	4.5
203.07014	13.1
217.08583	3.5
219.01810	2.9
221.07979	12.9
225.08060	2.2
225.15103	2.2
230.38092	2.0
231.04965	9.1
233.08109	2.3
243.05281	5.0
243.08612	3.5
245.05716	3.6
245.08026	23.4
263.09134	31.5
279.03799	2.4
279.10425	3.3
284.42007	2.0
349.09204	7.7
367.10321	6.5
385.42307	2.1
388.43402	2.4
420.11816	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	420.186
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03433	19.3
59.04994	2.9
61.02903	3.2
67.04949	1.8
69.03424	43.4
70.06581	8.5
72.08129	3.7
73.02914	14.7
74.12489	2.0
79.05470	1.8
81.03412	3.3
85.02900	48.6
86.09708	5.3
87.04462	34.6
91.05476	100.0
97.02883	64.4
97.03521	2.6
105.07005	4.6
107.04948	8.6
109.02902	2.2
115.03925	70.3
117.07001	2.4
119.04939	2.2
120.08098	3.2
127.03928	10.2
128.11873	1.7
129.06963	1.8
133.04959	64.9
133.06500	4.7
143.03416	2.5
145.04955	12.5
145.06435	2.4
150.07643	9.3
151.05974	2.3
161.04428	2.9
163.03882	2.1
163.06032	3.4
169.04974	2.2
173.07069	3.9
175.04041	2.6
205.08582	3.1
207.06450	2.7
208.03517	1.9
217.08572	4.2
223.05945	11.4
223.09586	6.5
235.09688	2.3
241.07047	6.7
259.08014	3.6
277.09259	2.5
279.10590	2.0
295.10129	4.2
374.81125	1.9
420.18222	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	420.2221
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07064	2.6
67.05476	3.3
69.07044	4.4
69.78432	15.0
79.05472	5.2
81.07050	100.0
85.02895	6.3
87.00803	2.5
94.71848	1.9
95.08604	17.3
97.02879	5.7
98.21437	3.3
105.01842	5.4
117.30261	1.9
122.07877	2.3
127.03893	6.8
137.13243	21.7
145.04941	3.0
231.05066	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	421.0463
Annotation	Unknow
Peak:m/z	Relative Intensity
51.69185	2.1
56.96565	5.2
57.03425	3.7
58.99855	4.1
65.17738	2.2
69.03408	7.1
71.04932	2.9
71.52847	3.2
73.02901	2.8
76.45311	2.1
77.00908	4.6
79.35342	2.0
85.02898	10.7
88.22902	2.5
96.34908	2.3
97.02888	8.6
98.97556	4.0
101.00867	21.6
103.02441	3.5
105.00356	3.7
109.01312	3.5
109.02786	2.7
110.97559	2.7
115.02419	6.7
116.98579	2.8
117.03980	16.7
119.01913	96.5
121.03525	5.0
127.02408	7.8
127.03923	8.7
128.11179	2.4
129.03947	2.8
131.01880	14.8
133.03462	24.9
135.05032	19.0
137.02959	21.5
141.04031	2.2
142.03468	3.9
143.01875	8.9
144.99818	5.9
145.03450	100.0
145.04765	4.6
146.03601	4.7
147.01382	6.3
147.05075	12.3
149.02933	4.3
151.04558	4.3
157.03436	6.8
159.05029	26.7
161.02914	25.6
163.00880	3.2
163.04500	36.2
164.04597	2.7
165.06068	3.5
168.05035	2.6
168.99879	3.0
169.03452	47.9
171.01349	16.5
171.05078	5.5
172.99290	6.1
173.02943	9.1
175.00813	3.2
175.04504	6.0
177.00885	3.5
177.02391	4.4
177.06049	7.0
179.04045	2.4
185.02934	15.0
186.99309	3.1
187.00871	12.3
187.04509	80.6
188.04747	3.7
189.02419	37.4
191.00325	3.8
191.03966	8.5
195.01418	9.9
197.02931	5.1
199.00883	9.2
199.04532	11.5
203.04008	8.6
205.01984	3.7
207.03545	13.9
210.06166	7.1
211.04535	4.7
213.02438	30.9
214.02559	4.4
215.00374	9.0
215.04019	9.3
217.01907	20.9
217.05533	9.1
219.03568	5.3
221.05029	3.0
225.02415	4.4
225.50258	3.4
227.04034	7.7
229.01923	7.0
229.05695	3.4
231.03459	32.8
233.01338	5.1
239.00235	5.9
241.01897	8.8
242.99707	2.7
243.03540	9.4
245.05087	16.7
247.02945	5.4
251.02460	4.7
253.01875	3.1
254.05080	3.7
255.03384	5.4
257.01379	8.2
257.05045	10.1
259.03009	4.5
261.04578	6.5
265.04056	5.6
269.01196	3.3
271.02963	3.0
273.04593	9.9
275.02628	27.4
285.00888	3.8
285.04086	4.7
287.02380	5.3
289.04037	4.0
293.03516	10.6
297.04358	2.8
299.02481	5.1
301.00388	17.0
301.04044	9.6
305.03464	2.7
313.00482	3.9
315.05518	13.5
316.05515	4.1
317.03482	6.9
319.05121	4.2
328.99893	4.0
331.01572	3.0
331.05014	4.4
331.48691	2.6
333.02908	6.3
333.06616	12.9
335.04526	4.2
359.04633	6.4
361.02481	21.0
373.02228	4.1
377.05823	5.4
385.02374	3.5
391.03629	9.9
403.03265	6.3
421.04355	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	419.191
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	9.4
55.01869	11.6
55.05502	7.3
57.03423	6.7
57.07068	20.5
57.90139	1.6
59.04995	13.1
61.02919	6.0
65.03914	2.5
67.05502	13.5
68.99780	3.3
69.03426	45.0
69.07066	15.2
70.06602	10.3
71.04995	9.7
71.13632	2.1
71.13942	3.2
72.08142	6.3
73.02903	8.8
75.52615	2.0
77.81091	1.8
79.05470	5.2
81.03410	42.0
81.07052	9.7
83.08623	5.2
84.08120	5.0
85.02901	75.4
85.06555	10.9
86.09710	10.3
87.00829	32.0
91.05472	6.8
93.07042	8.2
95.04965	6.2
95.08598	67.9
97.02897	27.3
97.06528	6.6
99.04465	13.2
99.08078	18.7
105.01856	19.2
105.06995	2.7
107.04952	4.3
107.08609	12.3
109.02870	40.5
109.06485	10.1
109.10144	18.4
110.07149	3.5
111.08054	9.6
111.11697	3.9
113.09634	55.1
115.03930	3.2
117.01869	4.4
119.04899	2.7
119.08530	2.1
120.08137	3.1
121.06467	2.9
121.10133	3.2
123.04424	4.6
124.07591	4.5
127.03915	60.8
127.11181	6.8
129.01851	5.1
129.10172	3.0
130.06493	2.4
133.10130	3.1
135.08115	2.0
135.11696	18.4
137.05969	4.5
137.09578	2.0
137.13237	7.0
141.07050	2.2
141.48640	2.0
145.04958	26.4
147.02832	2.0
151.03894	3.2
151.07532	2.4
153.12741	100.0
154.13176	2.6
155.14302	30.2
159.02875	26.8
159.04108	2.3
159.08095	2.1
165.05353	1.9
166.04977	2.3
167.07034	7.9
168.27182	2.3
169.07634	1.8
171.13760	21.4
177.05432	2.8
177.12689	2.5
181.04903	7.2
183.06534	2.2
191.07002	4.2
193.04948	2.0
197.57733	1.8
213.14845	2.8
226.08391	2.3
231.04965	12.0
247.04449	2.0
249.11284	3.5
293.04916	2.2
369.13324	2.4
401.16562	2.6
419.13876	2.7
419.18945	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.2554
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	20.7
57.03437	8.4
57.07076	5.6
67.05500	30.6
69.07065	27.8
79.05506	6.8
81.07046	23.8
83.08616	17.2
88.82482	3.5
93.07026	11.8
95.08583	26.0
97.06516	7.9
97.10169	11.6
98.20715	8.8
98.98454	89.3
107.08595	11.8
109.06476	4.5
109.10143	16.1
111.08057	7.2
111.11740	5.0
121.10120	16.4
123.11649	9.0
135.11674	13.8
155.01021	100.0
186.33073	3.4
201.05653	4.5
204.01865	4.0
205.63121	3.6
247.24234	12.1
265.25290	20.8
309.12680	4.3
353.45520	4.2
394.94440	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	419.1909
Annotation	Unknow
Peak:m/z	Relative Intensity
50.28606	3.2
53.03934	10.6
55.01861	13.4
55.05500	9.6
57.03423	12.4
61.02916	4.9
62.31921	3.0
67.05496	11.0
68.99773	3.7
69.03420	45.4
69.07065	34.1
70.06577	6.4
70.68335	9.8
71.04981	19.0
73.02892	8.8
77.48380	3.2
79.05473	13.5
80.71998	3.3
81.03423	29.8
81.07050	33.6
83.04990	12.4
83.08595	3.3
85.02896	100.0
85.06501	3.7
86.09706	4.3
87.00825	41.1
91.03913	3.1
91.05472	10.9
93.07027	34.5
95.04956	31.9
95.08578	29.4
97.02881	33.1
97.06529	36.5
99.04428	14.0
101.06001	20.5
103.03918	4.9
105.01862	31.0
105.07024	12.0
107.04910	3.2
107.08572	34.2
109.02863	30.7
109.10128	17.8
111.04454	4.5
111.08143	2.8
111.92854	3.0
115.07561	8.6
116.98500	3.7
117.07072	3.2
119.08548	8.2
123.11700	6.8
125.05928	3.6
127.03912	58.5
129.01833	3.0
131.08511	4.9
133.10158	6.4
135.11664	33.8
137.13289	4.7
145.04932	21.7
145.10132	5.4
147.11624	4.0
149.09572	3.3
149.13274	4.5
151.23024	3.5
153.12717	59.7
153.45874	2.8
159.02863	12.2
159.08061	3.6
165.09033	4.5
167.07054	18.8
167.30191	3.2
168.07372	8.6
169.07440	4.2
171.13773	62.7
172.14114	3.3
173.06035	5.0
177.05408	4.0
177.12798	4.7
181.04927	11.5
182.05183	3.5
191.07022	4.8
195.13736	5.1
203.02061	3.4
209.08003	3.4
220.57939	3.3
231.04973	12.6
240.06456	3.8
261.15070	5.7
279.15747	4.4
419.16040	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	419.1695
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	8.2
55.01862	21.8
65.03922	8.0
67.05495	19.1
68.52243	5.9
69.03417	21.3
69.72717	6.1
70.06588	39.3
71.04967	9.3
71.07757	15.9
72.08147	29.0
77.71101	6.4
79.05477	18.2
81.03412	24.9
81.07040	11.8
84.04492	15.4
84.08146	17.8
85.02884	31.3
86.09708	49.4
87.00817	10.1
91.05472	25.9
93.07021	13.3
95.04968	25.0
95.08613	16.5
97.02883	11.3
97.06507	9.2
103.05476	11.7
104.06001	5.9
105.07015	20.5
107.04937	26.9
107.08620	9.4
109.02873	16.6
109.06496	10.2
109.10164	9.5
113.09642	6.7
115.05505	9.9
119.08611	9.0
119.97343	6.4
120.08113	12.7
123.04433	28.1
127.03893	22.4
129.07005	9.5
129.10233	13.1
131.04913	8.0
131.08539	14.8
133.06506	7.9
133.10135	8.6
134.06770	7.3
135.11667	9.4
137.05974	23.8
141.06972	8.0
143.02425	6.9
145.06485	11.0
149.40704	6.7
153.12733	48.3
156.05659	8.4
159.08035	12.1
159.09210	8.7
161.05940	16.6
163.03896	10.0
163.07494	8.1
165.05522	8.3
167.07033	100.0
168.07455	14.1
171.06573	8.8
171.08047	9.4
173.06032	17.6
177.05441	13.6
180.07898	9.0
181.04970	49.1
181.08237	7.3
182.05321	15.6
183.06511	23.7
191.07018	17.0
193.08473	11.5
203.06886	8.2
205.08646	9.2
207.06531	9.6
207.13799	12.0
208.05231	13.2
209.08061	20.8
210.11555	27.4
217.08627	28.7
219.08218	11.5
219.10187	26.0
224.13058	9.0
231.10326	8.3
239.15414	84.2
247.09634	10.1
249.11203	22.7
257.16519	20.0
269.08069	25.1
274.08939	6.9
282.08795	8.8
291.10031	9.6
315.08615	66.8
330.10922	97.6
351.27811	6.3
369.13181	22.0
370.79941	7.1
383.14868	11.2
394.63730	7.4
401.16174	42.8
419.13278	11.1
419.22079	60.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.1696
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	11.5
59.51478	7.6
60.04515	18.8
67.30675	8.9
69.03425	20.0
69.70859	48.9
70.06577	20.1
71.04984	16.9
72.08141	23.9
79.05470	13.4
81.03411	23.0
81.07059	19.2
85.02885	29.3
86.09711	67.5
87.00823	8.6
91.05478	13.3
93.07023	14.0
95.04951	13.4
105.07055	10.2
107.04949	22.4
107.08600	9.5
109.02874	22.7
110.07146	12.9
115.05479	13.9
120.08084	8.1
123.04433	11.4
124.05219	8.8
127.03859	20.1
129.07010	9.7
133.06456	8.3
135.11696	12.3
141.12733	19.9
145.06532	13.3
148.05219	8.4
153.05440	16.1
153.12672	37.3
159.08073	10.6
161.05923	13.8
165.05370	9.3
167.07027	100.0
168.07449	13.8
171.13782	19.9
173.06001	11.7
173.12868	26.2
178.45154	7.1
181.04953	23.4
182.05246	10.8
183.22682	7.4
191.07095	10.0
193.08578	11.4
201.12512	8.9
205.08618	15.6
207.06456	8.3
208.05119	13.8
217.08656	9.1
219.13387	18.7
225.07501	11.0
226.08614	7.8
247.09673	10.1
265.08154	8.3
269.07986	13.6
270.14474	8.4
279.10318	9.0
280.28598	7.5
315.08578	61.4
323.12888	8.6
330.10980	92.7
369.13025	10.9
383.15009	15.8
401.16089	22.4
404.19571	9.3
419.34689	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	417.2396
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	2.8
55.05503	10.5
57.03437	7.3
57.03666	1.1
57.07064	4.7
57.22475	1.0
67.05501	49.1
69.07062	11.9
70.12762	4.5
71.08636	1.6
79.05488	14.7
81.03439	1.3
81.07053	63.8
83.08598	9.1
91.05469	10.4
93.07042	15.0
95.04972	3.0
95.08604	53.3
97.06520	4.1
97.10156	4.7
98.98460	82.2
99.08081	2.5
105.07008	8.3
107.08577	11.7
109.10157	26.7
111.08060	4.3
111.11768	1.5
113.09644	1.9
116.99525	2.2
119.08581	7.9
121.10136	16.1
123.11691	14.7
125.09607	2.1
133.10112	9.0
135.11703	6.7
137.09662	1.3
137.13258	7.2
147.11700	7.7
149.13260	9.9
151.14803	8.5
155.01031	100.0
161.13257	6.9
163.14801	6.2
165.16435	5.3
175.14767	5.9
177.16383	1.7
189.16402	2.4
245.22607	22.6
245.24973	1.8
258.71777	1.3
263.23694	53.6
264.24258	1.7
302.08081	1.3
346.11224	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	418.2068
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	2.1
55.01863	1.4
55.05490	2.6
61.07787	1.2
62.80990	1.3
65.03916	1.6
67.05479	2.0
69.03419	3.1
69.07061	1.5
70.06570	1.9
71.28179	2.2
72.08137	1.2
75.39468	1.2
79.05462	5.2
81.03408	3.0
81.07017	1.8
85.02918	6.6
86.09690	3.9
87.00803	3.1
91.05473	14.1
93.07037	59.4
95.04937	2.7
97.02858	3.5
99.04433	1.6
101.57108	1.0
103.05492	1.2
105.01871	6.0
105.06989	6.5
107.04945	1.6
107.08582	100.0
108.08932	2.2
109.02858	2.1
109.06490	3.0
111.21372	1.1
120.08114	1.2
123.04437	1.6
127.03896	9.3
134.55327	1.3
135.11679	48.8
137.13269	1.5
138.02997	1.4
145.04903	3.3
145.06477	2.8
146.06764	1.3
152.14322	2.0
167.07013	21.6
168.07376	9.9
171.04495	1.4
173.05969	2.3
174.06303	1.7
181.04919	9.2
182.05266	4.7
221.67325	1.3
231.04884	1.9
357.68384	1.3
388.14673	4.0
398.45248	1.3
418.15811	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	417.2397
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01872	1.2
51.54452	1.1
53.03939	2.5
55.05508	9.5
57.03427	5.8
57.07062	6.3
64.37020	1.2
65.03925	2.0
67.05499	56.5
69.07059	12.4
69.50749	2.4
69.51164	7.3
69.68649	1.2
71.08618	3.6
79.05484	16.9
81.07047	66.4
82.07383	1.4
83.08608	7.0
91.05470	13.1
91.39577	1.2
93.07034	17.8
95.04977	3.0
95.08597	58.9
97.06517	4.4
97.10162	5.2
98.98458	91.6
99.08080	2.7
105.07040	10.6
106.07404	1.3
107.08571	10.0
109.06522	2.0
109.10146	28.1
111.08065	3.8
113.09629	2.9
113.53351	1.2
116.99500	2.0
119.08562	9.4
121.10134	11.9
123.11687	14.3
133.10146	10.2
135.11688	8.2
137.09631	2.3
137.13274	8.2
139.11073	1.5
141.31621	1.3
147.11641	8.8
149.13255	7.5
149.92123	1.3
151.11206	1.4
151.14772	7.0
155.01025	100.0
155.14392	1.5
161.13214	5.1
163.14824	6.9
163.17784	1.3
165.16351	5.0
175.14857	3.8
177.16325	1.4
179.18025	2.2
189.16316	2.2
217.19580	1.4
244.95877	1.3
245.22606	23.7
263.23676	47.0
264.24170	1.4
344.15427	1.2
441.62100	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.1543
Annotation	Comazaphilone E
Peak:m/z	Relative Intensity
53.03929	0.8
55.01850	1.0
57.03434	0.6
65.03616	0.3
65.03935	3.1
67.05483	1.9
69.03413	1.4
69.07056	0.7
70.06577	1.6
70.77272	1.2
71.04977	0.4
72.08133	0.8
78.04702	2.5
79.05485	4.9
80.79854	0.4
81.03404	1.1
81.07037	1.9
82.04173	1.5
83.04983	0.4
84.04488	0.6
84.08118	0.8
85.02898	4.3
86.09701	2.0
91.05474	2.7
93.03385	0.9
93.07016	1.1
95.04940	2.1
95.08581	1.0
97.02867	1.0
97.06503	1.2
103.05458	5.5
104.34454	0.4
105.03368	0.6
105.07016	1.5
106.04152	1.7
107.04944	6.7
107.08614	0.9
109.02850	0.9
109.10081	0.6
110.03639	1.7
111.04429	1.0
115.05440	3.9
117.06999	6.5
118.04136	0.7
119.04986	0.4
119.08569	0.5
120.08102	0.7
121.06468	0.8
121.10125	0.5
122.03649	0.6
123.00791	0.5
123.04417	7.1
123.08016	0.5
123.11671	1.0
124.05222	3.6
125.05971	1.9
127.03926	0.8
127.05473	0.6
128.33728	0.4
130.04131	0.6
131.04919	2.9
131.08592	0.5
132.05707	0.5
133.02818	0.6
133.06470	1.0
133.10057	0.5
134.03604	0.5
136.07661	0.4
137.05937	1.3
138.03105	1.3
142.02589	0.8
145.05156	0.4
145.06487	9.3
146.03615	0.5
147.04413	0.8
147.08020	0.9
148.05211	2.1
149.05927	0.6
151.03912	2.0
151.07477	0.4
152.04652	1.5
153.05482	0.9
155.06071	2.4
157.06474	0.6
161.05937	1.4
163.07524	3.7
166.02716	0.4
167.07024	100.0
168.07375	1.8
169.08614	1.4
169.12238	1.6
171.06473	2.2
172.05237	0.5
173.05981	13.5
173.12881	0.6
175.07539	0.9
176.04752	0.6
178.06198	0.5
179.08566	0.4
181.04936	44.8
182.05266	1.2
187.03894	0.5
187.07555	1.1
191.07018	11.5
193.08543	0.5
195.06505	1.2
201.05450	1.3
203.06953	0.5
205.08568	2.9
206.05771	0.4
207.06522	1.0
207.10065	0.5
213.05420	0.4
217.04926	0.5
217.08659	1.0
218.05661	0.9
219.06496	0.5
219.10124	1.0
221.08026	0.8
233.08055	7.4
233.10361	0.4
235.09621	4.0
241.08714	0.4
242.10527	0.4
279.10022	0.6
285.07327	0.5
293.08035	0.5
323.09158	0.5
325.10730	0.5
344.12537	0.8
357.13589	0.8
367.11288	0.6
381.13327	0.8
385.12653	0.7
387.14337	11.9
399.14423	1.7
417.15421	27.1
418.15601	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	416.1912
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	5.2
55.01859	7.7
55.05494	3.2
57.03439	4.8
61.02916	2.8
65.03938	2.9
68.99786	3.5
69.03424	25.9
70.06567	3.5
70.42805	3.3
70.43209	4.5
71.04983	3.5
73.02898	3.6
79.05475	3.9
81.03414	20.9
85.02898	88.2
87.00826	28.7
91.05459	4.5
93.07040	3.0
97.02891	23.4
99.04456	11.8
100.11224	5.5
103.05447	3.3
105.01861	59.4
105.07021	75.9
106.07378	2.5
107.04967	3.9
109.02859	27.7
110.07164	3.4
112.07483	2.0
115.05418	2.2
117.01812	3.7
117.06951	4.6
119.04945	2.2
123.04413	4.5
125.05962	3.0
126.05518	2.0
127.03907	63.5
133.10117	100.0
145.02852	2.9
145.04942	28.8
145.06473	5.4
147.02853	3.2
147.04417	3.1
159.02893	15.2
167.07031	67.5
173.06006	6.3
173.09544	2.2
175.11034	2.0
177.05482	2.8
181.04942	28.6
189.03967	5.6
191.06973	4.0
195.38852	1.8
201.05336	2.0
213.03801	3.7
231.04945	26.4
233.07985	4.4
235.09593	2.3
241.12169	4.4
248.07655	3.2
249.05766	3.9
387.14154	6.5
417.15521	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	415.2242
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.8
55.05505	8.1
57.03423	5.4
57.07058	3.9
65.03919	2.0
67.05501	39.6
69.07062	9.4
69.88122	5.5
69.88534	3.3
79.05489	32.5
81.07049	50.7
83.04962	1.4
83.08605	6.6
85.06527	2.7
85.80774	1.4
86.69447	1.3
91.05470	22.6
93.07039	49.6
95.04958	2.9
95.08599	36.5
97.06521	2.4
98.20806	2.0
98.98458	70.1
99.08082	2.1
105.07030	16.1
107.08582	34.5
109.10146	19.8
111.08072	3.0
116.99468	2.8
117.07010	9.3
119.08572	19.7
121.10139	27.2
123.11727	9.3
129.07060	1.8
131.08549	16.8
133.10124	14.1
135.11678	26.9
137.09621	3.2
137.13257	4.6
139.11177	1.5
139.85289	1.7
141.53732	1.5
145.10106	15.4
147.11688	11.3
149.09656	2.0
149.13243	28.2
151.14825	2.1
153.12802	2.4
155.01031	82.6
159.11690	14.3
161.13206	8.5
163.11137	3.0
163.14825	14.9
165.12769	3.5
173.13264	14.2
175.14833	3.0
177.16331	3.8
179.14377	2.5
187.14828	10.1
191.52562	1.6
201.16388	2.1
205.15771	2.0
233.22549	4.0
243.18555	1.8
243.21065	31.8
261.22119	100.0
262.22449	3.4
345.45313	1.7
415.22131	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	415.1595
Annotation	Unknow
Peak:m/z	Relative Intensity
52.87763	0.9
53.03931	5.7
55.01857	5.4
55.05507	5.6
57.03419	1.7
59.04986	2.3
61.02921	5.2
65.03932	2.0
67.05502	9.3
68.99791	5.7
69.03427	14.6
69.07062	5.2
70.06246	1.5
70.06587	13.9
71.04975	3.0
71.32420	1.9
72.08141	3.3
73.02912	1.4
75.04446	1.0
77.03951	1.2
79.05486	28.1
81.03410	14.8
81.07047	30.0
83.04971	8.6
83.08576	1.2
84.08138	2.4
85.02892	10.0
86.09219	1.7
86.09699	19.0
87.00809	8.7
87.04444	0.8
91.05467	29.1
93.07034	73.2
95.04969	10.8
95.08594	16.8
97.02880	14.4
97.06515	6.3
98.71015	0.9
99.04438	3.9
103.05428	2.7
105.01842	2.3
105.03409	1.2
105.04489	1.5
105.07016	20.6
107.04936	8.1
107.08586	28.3
109.02868	17.1
109.06489	12.9
109.10152	6.7
110.07101	1.0
111.04438	2.7
111.08067	2.6
115.03924	1.5
115.05430	2.2
116.06198	1.9
117.07019	4.8
119.04958	1.5
119.08564	10.3
120.08077	1.9
121.02845	1.5
121.06504	8.7
121.10133	100.0
122.10449	2.7
123.04388	2.3
123.08057	3.4
123.11698	9.7
125.02393	1.1
125.05994	7.5
125.09605	3.0
127.03896	19.2
128.06238	1.4
129.01822	6.7
129.07007	3.0
131.08557	15.5
133.06479	2.7
133.07585	1.5
133.10123	2.5
135.08023	4.2
135.11668	1.3
136.03896	3.6
137.05957	2.4
137.09572	1.2
137.96921	1.0
139.11177	5.9
143.08546	1.5
145.04921	1.2
145.06477	3.3
145.10176	2.3
147.02867	3.2
147.08054	5.1
147.11656	1.3
149.05946	1.4
149.09602	31.6
151.03874	1.7
151.07574	1.5
155.08537	1.2
157.10081	1.0
159.07954	1.0
159.11749	2.2
161.05925	1.5
161.09656	2.6
163.07492	4.0
165.05463	1.2
165.09029	1.3
167.06992	4.2
167.10658	11.2
168.06529	1.4
171.11552	1.2
173.05910	1.6
173.09564	1.8
173.13222	1.0
175.03894	1.7
175.07477	1.7
175.11188	1.2
177.05460	1.6
177.12746	4.3
179.06979	1.1
179.08414	1.0
181.04933	6.4
181.06285	1.1
183.11626	1.7
183.14900	1.1
185.09424	1.1
187.07469	1.5
187.11134	2.2
189.09006	1.2
189.12428	1.7
191.07045	5.6
193.04999	1.4
195.06473	3.6
199.18037	3.9
201.05443	1.2
201.12724	1.3
205.12128	1.2
211.11224	3.3
213.03877	2.9
215.10648	2.8
217.15837	1.2
219.06392	2.3
227.17537	1.5
229.12228	3.3
231.04936	1.5
233.08072	1.7
233.11743	2.0
235.16937	3.2
239.10545	2.7
247.13380	1.5
253.17918	2.1
257.11755	4.5
275.12701	2.3
302.06598	1.0
302.14883	1.5
341.13492	1.6
387.14212	1.2
415.15585	5.8
415.29059	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.1414
Annotation	t(6)a
Peak:m/z	Relative Intensity
52.07701	0.3
56.05025	1.0
57.03426	0.3
59.74146	0.3
61.00549	0.3
69.03418	0.5
69.88058	0.9
69.88492	1.1
70.06588	3.6
71.04990	0.4
72.08145	0.7
74.06080	2.9
84.04485	0.6
84.08132	1.3
85.02901	0.8
86.09686	1.3
102.05515	1.3
107.04938	0.4
110.07120	0.6
116.07093	0.4
117.03368	0.6
119.03520	2.8
120.06570	8.8
121.06497	0.3
129.10226	0.4
136.06172	100.0
137.04572	2.5
137.06500	0.6
141.57767	0.3
142.08672	0.5
145.02809	1.1
154.08624	0.4
162.04099	63.5
163.04430	0.7
171.11238	0.4
177.05504	1.8
199.10715	0.5
233.12613	0.4
239.80991	0.3
251.09071	0.6
268.10425	1.2
281.09903	45.5
282.10135	1.0
294.08368	0.5
326.61896	0.3
413.14035	1.0
413.24448	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.1598
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02370	1.4
53.03947	6.1
55.01865	4.4
55.05503	3.9
57.03428	1.5
59.04984	1.8
61.02911	4.2
61.03190	1.1
65.03931	2.8
67.05502	9.9
68.99791	8.2
69.03423	15.9
69.07067	3.8
69.81996	5.8
70.06586	11.2
71.04985	2.8
72.08162	2.9
73.02921	1.2
79.05489	29.8
81.03413	13.9
81.07051	31.0
82.07384	1.2
83.04987	6.1
84.08137	2.3
85.02897	10.5
85.06532	1.6
86.09689	8.4
87.00813	7.2
91.05458	26.5
93.07035	76.0
95.04965	10.2
95.08602	13.5
97.02882	12.5
97.06511	5.7
99.04469	3.2
103.05479	2.7
105.01842	2.1
105.07027	21.7
107.04938	7.8
107.08582	26.8
109.02875	17.1
109.06507	12.7
109.10152	7.8
111.04445	3.9
111.08065	5.1
115.03888	1.2
115.05453	3.4
116.06210	1.2
117.07034	4.7
119.04956	1.1
119.08560	9.5
121.06492	9.5
121.10133	100.0
122.10507	1.2
123.04381	1.6
123.08054	4.8
123.11683	8.6
124.05223	1.1
125.05977	5.3
125.09647	3.7
127.03910	16.0
128.06233	1.2
129.01839	8.0
129.06961	2.5
131.08548	13.5
133.06488	2.5
133.10129	3.1
133.92598	1.0
135.08031	3.4
136.03908	2.8
136.07553	1.2
137.05974	1.7
137.09589	1.5
139.11179	6.3
143.08592	2.1
145.06480	3.8
145.10132	3.7
147.02876	3.2
147.04376	1.1
147.08023	5.1
149.02448	1.6
149.09613	32.1
151.03923	2.0
151.07538	1.5
153.05399	1.1
157.10121	1.7
159.08017	3.4
159.11685	3.0
161.05984	2.3
161.09608	4.2
163.03902	1.0
163.07536	4.9
165.05495	2.0
167.07054	6.2
167.10652	9.6
169.10194	2.0
171.08003	1.9
173.09592	1.7
175.03925	2.3
175.07658	1.6
175.11128	1.1
177.05391	1.5
177.12733	9.6
178.07703	1.3
181.04944	7.1
183.11687	1.2
185.06071	1.1
187.07587	1.9
187.11057	1.7
189.09181	1.7
191.06976	6.1
193.04967	1.9
193.10159	1.7
195.06496	5.5
201.05484	2.6
201.12628	1.6
211.11201	2.3
213.03926	3.9
215.10677	2.2
219.06442	1.9
227.17561	1.1
229.12218	2.8
233.08125	2.1
233.11636	1.3
235.16878	5.1
239.10684	3.8
253.17972	4.3
257.11710	5.4
262.37375	1.1
275.12732	1.9
304.51947	1.2
326.11572	1.1
359.28238	1.4
361.12854	2.0
366.11081	1.1
373.10394	1.2
394.60760	1.3
397.13058	2.5
415.15475	6.1
415.52298	1.2
437.80457	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.1986
Annotation	Flumethasone
Peak:m/z	Relative Intensity
55.05486	0.2
56.15151	0.2
60.98288	0.2
63.69244	0.2
67.70152	0.2
70.06583	0.9
70.71529	0.4
78.27454	0.2
81.07047	0.5
85.02924	0.3
85.07662	0.3
86.09702	0.5
91.05459	0.2
95.04962	0.2
95.08572	0.2
97.02814	0.2
105.07056	0.3
105.76178	0.2
111.05460	0.2
120.08041	0.3
213.58882	0.2
222.77666	0.2
247.08434	0.3
249.14568	1.5
261.64188	0.3
275.08167	0.3
317.06506	0.9
329.62915	0.3
388.99411	0.9
402.97208	0.5
407.00418	0.4
411.19858	100.0
412.20215	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	411.1987
Annotation	Flumethasone
Peak:m/z	Relative Intensity
57.01631	0.3
69.03422	0.5
70.06586	1.1
71.52940	0.5
72.08132	0.5
81.07034	0.3
84.08131	0.6
86.09692	0.4
93.07037	0.4
95.08653	0.4
102.04028	0.3
105.07019	0.4
107.08638	0.4
120.08112	0.4
207.13786	0.4
235.25595	0.3
256.19135	0.3
259.00314	0.3
267.14429	0.8
288.08749	1.4
411.19849	100.0
412.20175	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	412.2175
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	4.7
53.19339	2.2
55.05511	4.4
55.93535	2.3
57.03434	2.3
59.25873	2.7
61.02938	2.2
61.79453	2.6
67.05496	4.3
67.38111	2.6
69.03414	11.8
69.07055	4.1
69.37576	5.1
69.37983	18.8
70.06593	11.8
71.04977	2.4
72.08170	2.7
72.76925	2.9
73.02874	2.6
79.05468	2.4
81.03417	14.1
81.07049	6.9
81.22470	2.3
83.04961	3.1
84.04454	2.7
84.08141	7.0
85.02898	66.6
86.09689	7.7
91.05429	4.3
93.07008	3.3
97.02898	15.9
97.06507	3.5
98.97590	7.1
99.04453	32.6
100.11193	3.7
103.03934	100.0
105.07006	4.7
107.04914	2.8
107.08555	3.0
109.02871	17.1
109.14964	2.3
116.98636	4.1
120.08082	5.0
121.06564	2.7
123.08131	3.5
124.07584	3.0
127.02966	5.4
127.03905	94.0
129.10211	3.6
131.00179	4.7
145.04947	59.9
145.10066	4.6
148.07574	2.3
149.01201	3.9
163.03906	2.5
163.06020	56.5
177.00548	3.0
177.05486	3.3
184.54190	2.4
187.05978	5.1
205.07027	4.9
210.14919	3.9
243.59474	2.6
253.07443	2.6
257.94534	2.4
271.08270	3.1
289.09250	5.2
307.10242	8.3
412.20096	6.9
413.21460	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	410.2534
Annotation	Unknow
Peak:m/z	Relative Intensity
54.17023	1.2
56.05029	1.1
57.07074	6.0
58.06585	2.0
65.03935	1.5
69.03414	1.4
70.06583	20.0
71.08617	3.4
71.52831	1.6
72.08137	1.5
75.13854	1.0
81.07053	1.4
84.08125	1.3
86.09702	1.8
88.07623	22.5
91.53040	1.0
93.07014	1.3
95.08611	1.9
102.09159	17.1
107.08620	1.6
107.84461	1.2
121.02829	1.4
124.19810	1.0
139.03912	1.4
149.02328	68.9
149.03378	3.5
153.10260	1.1
161.48938	1.3
168.01427	1.1
191.95067	1.1
193.04947	68.4
200.20078	64.7
201.20425	3.4
237.07544	84.3
238.07878	1.9
244.22656	1.4
276.13049	1.4
279.07217	1.3
346.00870	1.3
365.01596	1.5
369.02695	1.5
410.25314	100.0
411.25479	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	411.0438
Annotation	Unknow
Peak:m/z	Relative Intensity
51.13302	1.1
51.46839	1.2
56.96559	45.0
57.03417	1.2
67.39239	1.1
69.03414	1.7
71.54350	2.1
71.95259	2.1
73.02970	1.0
74.97610	3.0
84.96026	28.2
85.02897	4.3
97.02880	1.8
98.97571	55.4
100.99133	3.4
102.97060	4.7
103.02420	1.2
110.07162	6.0
110.97536	6.9
115.00695	3.8
115.86068	1.1
116.98613	42.9
119.00161	3.6
119.01908	2.3
120.98105	1.6
121.01682	1.7
121.03482	1.9
124.99097	14.0
126.97048	2.0
128.98587	16.4
131.00180	1.2
133.01707	5.0
133.03433	8.2
134.99641	27.5
140.00192	2.2
140.98689	1.9
143.00146	49.9
144.98074	6.9
145.03456	1.9
146.99644	12.9
149.01204	1.5
151.02751	1.3
151.04515	4.4
153.00696	5.2
158.01276	1.7
158.99649	16.0
161.01204	100.0
162.01279	1.2
162.99130	15.1
165.00764	2.4
166.01736	1.4
168.98085	3.4
170.99661	6.1
173.02954	1.4
174.99139	1.5
175.02724	3.1
175.04515	5.6
177.00702	23.9
179.02242	22.6
180.01042	1.2
181.00188	3.8
184.02853	3.6
185.01221	8.2
186.99121	14.7
187.04562	3.9
189.00671	13.8
189.05972	1.5
191.02213	1.3
193.00201	1.8
195.01779	3.8
200.02318	1.4
201.00647	1.6
201.06061	2.9
202.03928	1.7
203.02243	17.2
205.00192	41.0
207.01849	3.3
211.04489	2.9
215.02271	3.1
217.03699	2.0
217.05609	2.9
219.01773	5.6
221.03343	1.5
223.01231	37.0
226.03819	1.3
228.01686	1.9
229.00053	5.4
230.52734	1.2
230.98152	5.0
233.03372	2.0
235.01254	2.0
237.02788	3.7
239.53317	3.4
240.03166	1.1
241.02367	5.1
245.03310	4.5
247.01263	9.6
248.53848	1.9
248.99147	25.2
249.03363	2.9
259.01349	2.8
265.02368	1.5
267.00220	43.7
272.00735	2.1
272.99155	4.4
277.02322	2.0
277.07672	2.8
285.01248	4.2
290.01895	2.2
291.00204	76.7
295.08765	9.2
303.00220	9.2
307.03357	2.5
309.01276	53.2
309.04562	1.9
310.01312	1.4
321.01321	18.0
327.02554	1.5
332.03018	6.9
333.01312	1.1
339.02325	2.7
344.02643	1.1
349.04300	1.3
351.02087	1.6
375.02399	3.4
376.96075	1.2
393.03339	11.9
411.04321	5.8
411.09769	8.3
411.16003	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.0442
Annotation	Unknow
Peak:m/z	Relative Intensity
56.77578	1.6
56.96560	60.5
65.44330	1.5
69.03400	1.8
70.43594	3.5
70.43983	3.6
72.16966	1.6
74.97602	4.8
75.02377	1.5
77.64597	1.7
84.96028	34.0
85.02885	3.6
97.02877	3.2
98.97573	100.0
100.99141	4.0
102.97036	3.3
103.02431	4.5
110.07117	3.8
110.97556	17.8
115.00682	7.9
116.98608	55.5
119.00171	2.3
119.01914	4.9
121.01648	2.0
124.99111	28.2
126.97067	3.4
128.98595	22.9
131.00136	3.2
131.01892	2.1
133.01744	4.2
133.03465	22.0
134.99629	20.0
140.00192	2.1
140.98589	3.0
143.00150	80.5
143.01831	3.5
144.98067	11.6
145.03448	4.1
146.99619	11.8
150.63025	1.7
151.04492	9.8
155.01805	2.4
158.99652	25.8
161.01208	83.9
162.99123	17.4
168.98108	3.3
170.99686	9.2
171.05034	3.0
173.02905	2.6
174.99077	2.7
175.02884	3.5
175.04491	10.1
177.00716	26.7
179.02258	16.2
181.00204	3.6
184.02824	2.4
185.01184	12.3
186.99121	18.3
187.04512	7.9
189.00652	16.3
189.06027	4.7
195.01759	4.1
199.04523	2.8
201.00902	2.2
201.06052	7.3
203.02231	17.3
205.00169	44.9
207.01701	5.3
211.04466	7.6
215.02240	2.5
217.05560	7.6
219.01729	4.0
221.03304	2.0
223.01224	33.0
229.00218	6.1
230.98114	6.0
231.71375	2.0
235.01219	2.5
237.02715	6.4
239.11514	2.0
239.98534	2.1
241.02293	4.2
245.03281	4.1
247.01247	11.3
248.99171	26.9
259.01096	2.5
261.32974	1.9
267.00204	41.7
272.99084	7.3
277.02448	2.6
277.07599	7.5
285.01263	5.2
291.00211	82.3
291.03537	4.0
295.08673	17.8
303.00317	9.7
303.03351	2.2
307.03174	2.0
309.01245	52.5
309.04602	2.2
321.01315	16.4
327.02264	3.5
332.02783	5.6
339.02136	2.6
351.02441	2.9
351.11188	3.3
393.03235	8.8
411.04370	10.1
411.09430	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	409.2217
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	3.7
55.01864	7.9
55.05262	2.2
55.05508	22.0
57.03419	1.9
65.03925	1.7
67.05502	37.0
69.03415	3.0
69.07067	20.3
70.71556	4.1
71.04970	2.7
79.05484	45.3
79.48363	1.4
81.03397	4.4
81.07049	100.0
82.07350	1.7
83.04971	3.8
83.08617	18.3
85.06521	3.9
91.05478	35.6
93.07030	25.9
95.04956	12.7
95.08594	22.3
97.06503	7.1
97.10166	2.8
99.00768	1.4
99.08086	6.5
103.05445	1.6
105.07021	34.7
107.04937	17.7
107.08584	17.2
109.06500	34.7
109.10124	9.1
110.78052	1.4
111.08062	6.7
117.07021	9.1
118.07387	1.3
119.08574	22.0
121.06497	6.5
121.10128	12.1
123.08070	11.0
123.11684	4.5
125.09610	3.7
129.06992	5.7
131.08557	19.0
133.06442	1.8
133.10127	23.5
135.08031	5.4
135.11659	6.9
137.09595	6.4
140.42328	1.4
143.08521	2.4
145.10138	10.4
147.08014	1.7
147.11665	25.2
149.09602	15.2
149.13260	6.8
151.11153	4.7
155.08539	2.5
157.10138	6.6
159.11671	11.2
161.09552	3.3
161.13205	3.6
163.11182	12.6
163.14822	3.2
165.12692	8.1
169.10149	3.2
171.11652	3.5
173.09641	1.9
173.13216	5.7
175.11192	7.1
175.14864	1.7
177.12714	4.0
179.14194	2.0
183.11674	2.5
189.12669	1.7
191.10800	1.8
193.12210	6.1
195.13786	2.1
197.13284	1.7
201.12666	1.6
219.13808	1.7
229.19481	4.3
239.17918	3.8
247.20532	2.6
257.18948	9.2
275.20050	70.3
276.20374	3.0
293.21051	11.3
391.21167	3.6
409.21698	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	409.2218
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	2.7
55.01871	4.4
55.05501	11.3
57.07061	2.5
67.05498	24.0
69.07062	11.9
69.48484	9.6
69.48910	9.0
71.05000	3.5
79.05489	25.9
81.07050	50.3
82.70126	2.3
83.04971	5.4
83.08611	7.9
86.28627	2.2
91.05471	20.7
93.07029	22.1
95.04967	8.8
95.08611	23.2
97.06521	4.2
105.07018	28.3
107.04955	7.0
107.08580	12.7
109.06504	16.2
109.10158	9.7
117.06009	2.4
117.07034	8.1
119.08570	21.0
121.06533	4.4
121.10114	12.2
123.08060	5.6
123.11714	3.2
131.08606	13.6
133.10117	18.6
135.08076	6.6
135.11690	7.5
137.09618	5.4
139.11128	2.6
145.10123	11.3
147.11635	12.7
149.09621	10.0
149.13275	4.2
151.11223	3.0
155.08566	3.1
157.10153	4.0
159.11734	8.1
161.13191	5.0
163.11194	3.8
169.10144	3.3
173.13260	7.0
175.11185	3.4
191.22639	2.3
207.13890	4.6
229.19542	3.2
239.17877	3.5
247.20604	8.5
257.18985	9.8
275.20035	100.0
276.20380	5.8
293.21164	19.9
327.19806	3.0
355.19165	3.0
391.21082	8.8
402.69946	2.7
409.25955	55.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2734
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	6.2
55.01858	2.9
55.05508	17.5
57.02339	1.6
57.07064	6.0
59.04983	3.3
65.03923	2.0
67.05502	17.2
69.03422	8.7
69.07049	6.9
71.04932	1.6
79.05495	20.5
81.03386	1.7
81.07053	29.1
83.04967	4.9
85.06517	2.9
91.05473	32.7
93.07031	38.3
95.04371	3.4
95.04957	50.2
95.08600	25.2
97.06537	8.2
103.05442	3.7
105.07023	100.0
105.61432	1.6
106.57306	1.5
107.04927	2.1
107.08577	21.8
109.06503	10.1
109.10151	6.6
115.05437	3.4
116.06248	2.1
117.07011	13.8
118.41511	1.5
119.04918	2.2
119.08574	67.9
121.06506	15.3
121.10150	15.7
123.08059	16.1
125.05922	1.9
128.06206	4.4
129.06961	7.6
130.07782	2.6
131.08557	23.8
133.06479	3.6
133.10094	15.8
135.08018	11.9
135.11681	3.5
137.09653	7.9
141.06979	3.0
142.07768	9.7
143.08545	12.9
144.09331	4.0
145.06451	4.3
145.10107	30.4
146.07281	2.4
147.08043	14.8
147.11676	39.3
149.09583	11.7
150.10406	2.0
151.07536	18.7
153.08989	2.3
155.08534	5.7
156.09331	5.2
157.10126	19.3
159.08037	5.2
159.11670	13.0
161.09601	7.5
161.13229	5.0
162.34261	1.6
163.11185	4.5
165.06967	2.2
165.09109	31.1
167.08586	2.2
168.09315	4.4
169.10107	9.7
171.11696	6.8
173.09604	5.4
173.13252	5.6
174.10431	2.0
175.11188	28.3
177.09093	2.1
178.10040	3.2
179.08644	1.7
181.10144	2.5
182.10974	2.0
183.11792	7.9
185.13222	6.3
187.11168	4.2
187.14798	2.6
189.12730	5.1
194.10837	2.7
195.11671	3.6
197.13206	4.1
199.11154	1.9
199.14740	3.1
201.12709	7.7
201.16336	2.5
203.14302	14.2
207.13823	9.1
209.13232	3.5
209.15282	3.4
211.14723	2.3
215.14287	1.8
219.13817	6.2
221.13333	2.8
221.15326	54.9
222.15569	1.9
223.14819	3.1
229.15883	5.3
231.13873	3.5
233.15376	3.1
234.16167	16.2
287.20016	4.8
299.19907	2.1
300.20947	4.3
329.21008	5.7
391.26248	6.1
392.31406	3.1
409.02017	2.0
409.27316	35.0
410.27582	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	409.2557
Annotation	Unknow
Peak:m/z	Relative Intensity
70.48389	1.6
70.48732	1.2
81.07054	0.7
93.07010	0.8
119.08530	0.5
141.83305	0.6
275.19995	0.8
350.48199	0.6
409.25562	100.0
410.25940	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	409.2734
Annotation	10'-Apoviolaxanthal
Peak:m/z	Relative Intensity
53.03937	4.4
55.05309	1.5
55.05502	15.2
57.07047	4.3
65.03925	2.6
67.05488	16.7
69.03411	4.7
69.07053	8.7
70.12444	4.7
70.12853	6.3
79.05476	15.7
81.03408	2.9
81.07047	27.2
83.04951	4.8
85.06528	3.2
91.05467	31.5
93.07033	35.8
95.04953	53.8
95.08584	20.3
97.06529	5.9
103.05444	3.8
105.07017	100.0
107.08586	21.2
109.06489	9.1
109.10129	6.8
115.05428	4.0
117.06998	15.1
119.04927	2.0
119.08567	56.8
120.08869	2.1
121.06483	17.1
121.10111	8.3
123.08063	14.2
126.68852	2.1
128.06197	4.4
129.06964	6.6
130.07767	5.8
131.08563	21.0
133.06462	4.9
133.10086	13.7
134.12735	2.0
135.08026	13.4
137.09583	7.7
141.06950	4.8
142.07755	13.7
142.12064	2.1
142.77692	1.9
143.08554	14.7
145.06422	2.9
145.10097	35.1
146.07162	2.1
147.08047	17.0
147.11676	39.6
148.08719	2.5
149.09613	11.7
151.07504	14.9
155.08511	6.8
156.09299	5.0
157.10092	16.2
158.21782	2.2
159.08066	7.1
159.11650	15.0
161.09558	6.8
161.13194	4.9
163.11156	5.5
165.01823	3.9
165.09113	32.3
168.09296	4.5
169.10110	10.2
171.11676	7.3
173.09567	5.5
173.13264	7.4
174.10431	2.0
175.11168	30.4
177.09055	4.3
179.08694	3.2
179.99837	2.0
181.10094	4.5
181.12199	2.5
183.02870	3.0
183.07860	2.1
183.11554	9.2
185.13176	3.4
187.11108	4.9
187.14877	2.1
189.12715	2.5
191.14417	4.0
195.11765	2.7
196.12393	3.0
197.13217	2.5
199.11195	3.3
199.14839	2.6
201.12740	9.1
201.16357	2.1
203.14243	16.0
206.91597	2.4
207.13739	7.8
209.15262	2.8
211.14752	3.4
219.13812	5.8
221.13179	4.2
221.15315	59.2
229.15758	2.9
231.13681	3.3
233.15282	3.4
234.16138	19.8
281.18753	2.9
287.20038	7.2
300.20691	6.3
329.21152	5.5
391.26212	7.4
409.18542	2.2
409.27237	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	409.1829
Annotation	Unknow
Peak:m/z	Relative Intensity
56.07766	0.7
56.48769	0.7
67.05502	1.5
69.03411	3.1
70.06584	9.0
71.52602	0.8
71.53069	1.1
72.08147	3.1
79.05475	1.6
81.03421	1.9
81.07039	1.9
84.04495	2.0
84.08149	4.0
85.02888	2.1
86.09698	6.0
86.51162	0.7
88.03969	0.8
91.05479	1.7
93.07026	1.6
95.04989	1.4
95.08603	1.6
97.02881	1.5
105.07023	1.4
107.04978	1.0
107.08573	1.4
109.06527	1.0
109.10152	0.9
110.07162	2.0
119.08586	1.1
120.08087	2.1
121.08386	0.8
121.10120	1.6
123.08066	0.9
123.11681	0.7
125.09632	2.8
127.03865	1.1
129.10272	2.0
133.10123	0.8
135.11739	0.7
136.07581	1.6
145.10144	1.0
146.05995	0.9
147.11641	0.8
149.09587	1.0
161.05946	0.8
162.05504	1.1
164.07047	1.0
165.07919	0.8
213.07501	0.7
214.74493	0.8
219.06227	1.1
265.13089	1.1
289.12805	1.5
307.13922	1.3
349.17108	0.7
373.70471	0.9
409.11166	7.3
409.18311	100.0
410.18790	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.1854
Annotation	Unknow
Peak:m/z	Relative Intensity
51.54866	2.8
53.03934	10.6
55.01875	13.1
55.05478	6.0
57.03427	11.1
61.02918	7.1
67.05495	6.6
68.99788	6.1
69.03424	57.2
69.07050	4.6
70.06582	7.4
71.04974	6.9
71.52946	3.4
73.02903	12.2
79.05473	4.7
81.03413	70.3
81.07039	10.5
83.04972	3.5
84.08113	4.2
85.02899	78.7
85.12166	2.5
86.09689	3.5
87.00830	34.5
91.03893	3.0
91.05446	6.9
93.07027	8.1
95.04942	3.7
95.08582	6.8
97.02873	31.1
97.25699	2.5
99.04432	14.5
103.03922	3.6
105.01841	21.0
105.07022	28.7
107.08606	6.3
109.02874	48.8
109.06480	3.3
109.10151	4.2
115.03923	9.4
117.01865	4.3
117.06995	6.3
119.08562	12.9
127.03909	73.4
128.06187	4.0
129.01823	8.0
129.06935	5.4
131.08548	14.2
133.10123	7.6
137.05972	6.4
137.09593	2.9
142.07712	3.0
143.08546	6.4
144.09241	3.3
145.04930	20.0
145.10074	9.6
147.02864	5.2
147.11696	3.4
149.36264	3.2
155.08540	4.2
155.90228	3.4
157.10104	7.3
159.02876	30.3
159.11688	100.0
161.13248	27.4
171.11649	10.8
173.13271	11.2
181.10121	5.3
182.10893	3.2
183.11671	5.4
185.13214	9.0
187.07234	3.6
189.03926	2.9
193.18256	2.7
195.11708	4.5
197.13208	7.0
199.14893	3.5
203.14247	11.2
213.12482	3.9
223.14734	3.5
231.04955	11.4
251.14232	6.1
269.15347	3.9
323.18350	5.2
409.18439	41.1
409.26962	3.4
409.68137	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2217
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	5.0
55.01860	6.1
55.05506	17.1
57.03413	2.8
58.83464	1.0
67.05498	29.7
69.03403	1.7
69.07058	13.3
70.95145	3.3
71.01344	1.3
71.04986	3.8
79.05486	35.2
81.03426	5.8
81.07047	100.0
82.07378	1.2
82.78846	1.1
83.04953	5.2
83.08617	15.0
85.06538	2.1
91.05471	34.5
93.07035	24.0
95.04962	12.1
95.08592	18.0
97.06528	6.4
97.10149	1.7
99.08071	4.4
105.07017	31.3
107.04943	11.8
107.08580	14.4
109.06506	41.1
109.10145	6.4
111.08080	7.4
111.35606	1.1
117.07015	8.5
117.39794	1.1
119.08569	23.6
121.06499	5.9
121.10125	11.8
123.08076	10.7
123.11697	2.7
125.09573	1.4
128.06223	1.3
129.07018	5.7
131.08545	12.3
133.10126	19.9
135.08066	5.3
135.11697	5.7
137.09619	5.7
141.06938	1.2
143.08513	3.4
145.06456	1.8
145.10107	11.5
147.08020	1.9
147.11670	26.7
149.09621	15.0
149.13231	6.5
151.11217	5.2
155.08530	3.0
157.10095	9.4
159.08040	1.3
159.11642	8.5
161.09566	1.9
161.13228	3.1
162.99767	1.0
163.03857	1.2
163.11153	10.1
163.14735	2.1
165.12733	8.9
169.10110	3.1
169.62170	1.1
171.11676	3.8
173.09583	1.9
173.13210	3.7
175.11160	8.1
175.14754	1.6
177.12749	4.4
183.11720	2.1
185.13182	2.1
187.14886	2.3
191.14232	1.6
193.12198	8.1
197.13205	1.5
201.12744	3.6
205.12305	1.3
207.13719	2.1
211.13055	1.3
215.17879	1.4
229.19463	2.2
239.17950	5.7
247.20572	3.8
257.18967	8.4
275.20029	66.0
276.20337	2.6
293.21002	6.8
350.57422	1.1
391.20993	5.1
409.21762	12.9
409.25681	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	409.183
Annotation	Unknow
Peak:m/z	Relative Intensity
54.66736	0.2
62.51735	0.3
67.53800	0.2
69.03407	0.6
70.06583	1.5
71.41962	0.5
72.08141	0.4
79.05453	0.3
81.03410	0.6
84.04487	0.3
84.08122	0.9
85.02875	0.5
86.09686	1.0
91.05478	0.5
97.02904	0.6
109.02866	0.3
120.08110	0.6
127.03897	0.5
133.10097	0.4
135.11653	0.4
141.28081	0.3
179.10670	0.4
184.09642	0.3
197.11699	0.9
247.13179	0.3
265.12817	0.4
289.12766	1.1
307.13898	0.3
409.18277	100.0
410.18588	4.3
421.93863	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.1194
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	1.3
56.05044	2.5
56.96561	7.4
69.03414	3.0
70.06586	5.1
71.52634	1.4
71.53010	1.7
74.06060	1.5
81.03439	2.3
82.13166	1.2
82.29772	1.1
82.99842	2.3
84.04487	2.2
84.08147	3.1
84.96069	1.6
85.02895	4.8
86.09687	1.6
91.05467	2.5
97.02880	2.8
98.97577	18.4
101.00871	11.8
104.05331	2.2
110.97518	1.5
113.00887	2.7
115.02493	2.7
116.98620	12.8
119.01917	33.7
120.08111	3.7
128.98633	3.1
131.01898	17.6
131.05542	7.2
133.03485	3.5
134.99646	7.6
136.06242	1.3
136.07545	3.1
137.00821	1.6
137.02956	6.0
142.03543	1.3
143.01884	56.9
144.02029	1.3
145.03609	7.2
146.99602	2.5
147.03236	2.0
147.04276	2.1
147.05080	1.4
149.01205	1.6
149.02972	2.9
149.06569	10.6
154.03526	1.4
155.01881	17.7
156.02734	2.2
157.03484	4.3
158.99651	5.8
159.05066	4.3
161.02943	84.2
162.03140	4.0
162.99094	1.5
170.99701	1.8
171.04994	2.7
173.02972	22.5
173.06596	24.8
175.04517	2.6
177.00725	8.5
177.05998	4.5
184.04538	6.3
185.03043	2.0
185.06561	19.0
187.06555	1.2
187.08185	4.8
189.04276	1.7
189.05969	1.6
191.07663	5.3
193.03922	1.5
195.01643	1.5
199.08203	1.4
201.04410	2.5
201.05972	2.4
203.03989	5.4
203.07677	12.8
215.07701	11.2
219.01746	3.1
219.05353	2.9
221.05043	17.3
223.04790	1.8
227.07669	2.4
232.96342	1.6
233.08855	2.3
237.02892	5.4
245.05170	1.6
247.06685	3.7
257.08789	4.5
265.05862	1.4
275.09750	25.1
289.04126	1.7
289.07666	2.4
291.07562	1.6
293.10782	100.0
294.11142	4.1
301.04178	2.0
309.08572	11.3
316.12427	4.7
363.11423	5.2
365.12949	2.1
367.08643	1.9
391.10455	7.0
409.11880	70.5
409.22250	2.7
410.11838	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	408.0473
Annotation	Unknow
Peak:m/z	Relative Intensity
51.70410	1.1
71.51526	1.7
81.07042	1.2
116.98761	1.0
119.01900	10.7
137.02975	5.0
156.97444	1.5
157.01608	1.1
174.98523	2.5
175.16603	1.0
177.00945	19.4
178.01035	2.5
197.00517	1.5
200.02510	1.0
201.00899	2.4
212.81520	1.1
215.01663	1.2
217.04041	1.9
219.01965	27.1
220.02104	3.4
221.01859	3.3
225.01007	1.6
225.30437	1.2
230.97423	1.3
234.64882	1.1
235.00073	4.7
236.00186	4.9
236.99701	1.4
239.31088	1.1
240.05614	1.9
242.03804	1.5
243.01976	7.9
244.31456	1.5
244.98500	1.0
247.65083	1.5
252.64629	1.9
253.00987	1.1
258.06747	1.2
258.99982	7.6
260.00037	6.5
260.04517	2.3
261.00235	4.3
261.03040	100.0
262.03171	9.1
264.98782	1.3
265.32458	1.1
265.98828	1.3
266.32007	1.3
271.98904	1.4
274.99252	1.9
277.01080	9.9
278.01138	8.1
279.00833	4.1
280.98575	1.2
283.00037	11.4
284.00076	9.4
284.04892	7.5
284.99762	4.9
286.99005	1.9
293.65573	1.3
294.98947	1.1
297.98636	1.6
301.01022	24.7
301.04239	1.7
302.01065	19.6
302.04556	2.8
302.06006	2.0
303.00919	6.7
307.46045	1.5
335.95941	1.4
358.64874	1.1
366.03607	1.7
366.64777	2.6
367.02454	2.0
374.65469	1.4
375.64462	2.1
375.97830	1.6
376.97873	2.9
382.31827	1.9
382.97772	2.3
384.04633	2.2
385.03119	14.2
385.64267	1.8
401.01202	1.9
402.01492	1.5
402.64874	1.3
403.04291	21.8
403.31390	1.7
404.04120	2.2
408.00095	1.5
408.04932	3.3
426.01062	2.9
426.05823	6.7
427.00650	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.1102
Annotation	Unknow
Peak:m/z	Relative Intensity
60.06812	0.5
70.06584	2.4
71.51988	0.6
72.08150	0.6
73.11057	0.5
84.08125	1.1
86.09698	1.1
91.05490	1.0
104.05310	0.5
110.07134	0.5
119.04937	0.5
119.33073	0.5
120.08067	0.9
129.10236	1.4
136.07603	0.8
161.57268	0.5
171.69577	0.4
175.57924	0.5
185.04265	3.5
195.72292	0.5
201.06613	1.0
207.06468	0.7
211.62318	0.5
243.34499	0.6
246.05017	2.1
247.05705	17.0
287.15869	0.6
409.11017	100.0
409.18185	11.0
410.11395	3.1
427.10995	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	408.1288
Annotation	Unknow
Peak:m/z	Relative Intensity
52.70452	0.8
53.03947	1.3
55.01865	1.0
57.03421	2.5
61.01133	1.2
61.02919	1.4
65.37903	0.8
68.04983	0.9
69.03423	9.5
70.06577	3.3
70.51135	1.2
70.51491	2.7
71.04982	2.2
72.08147	1.5
73.02905	2.8
74.06044	0.9
81.03411	6.6
84.04496	1.7
84.08120	2.2
85.02899	12.2
86.06078	1.4
86.09700	1.6
87.04453	1.8
97.02884	5.2
99.04430	3.0
103.03924	1.4
109.02855	4.2
110.07174	1.1
115.05441	19.4
116.04935	1.3
120.08097	1.9
124.07626	0.9
127.03925	6.5
128.90959	1.0
129.10246	1.4
130.06519	2.6
132.08092	4.4
133.03163	2.1
136.07597	1.1
140.04872	1.4
142.06506	100.0
143.07306	6.3
144.08066	8.9
158.06058	1.9
159.06801	1.7
160.07565	88.6
161.07877	1.2
187.06006	1.6
188.07019	2.8
198.54399	0.9
202.08728	1.3
228.06927	2.3
233.02580	1.4
246.07910	7.9
247.22549	0.8
322.12878	6.1
364.13858	33.5
390.11707	1.4
408.12820	40.6
409.11533	3.2
417.92126	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.1906
Annotation	Unknow
Peak:m/z	Relative Intensity
50.47461	6.3
55.01850	8.6
65.98379	7.1
67.05508	8.2
69.43642	53.9
69.44053	15.0
70.06580	16.7
79.05502	8.9
81.07029	12.1
86.09696	13.9
93.07036	14.5
95.08595	9.5
97.06548	6.1
98.20785	13.2
105.07021	21.3
107.08578	32.9
115.24258	6.2
120.08086	32.0
121.10145	9.7
135.11761	10.7
141.96272	7.1
145.10051	8.4
163.11151	23.1
167.10669	9.4
167.82430	7.2
169.08592	85.3
181.12216	13.5
191.10651	8.0
209.11658	9.1
227.12766	100.0
375.11804	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	407.24
Annotation	Unknow
Peak:m/z	Relative Intensity
59.54977	0.9
61.85680	0.9
69.69171	3.0
69.69601	4.3
70.06569	2.7
88.09647	1.1
88.33524	1.2
90.70403	1.0
154.55157	1.0
241.27924	1.0
301.29227	3.7
407.24011	100.0
407.35382	12.4
408.24396	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	407.0304
Annotation	Unknow
Peak:m/z	Relative Intensity
54.16571	1.2
56.96550	3.7
58.99849	5.7
64.64237	1.1
66.07607	1.4
66.51068	1.3
70.47240	2.5
74.35310	1.1
75.57039	1.2
77.00900	3.0
77.18860	1.1
84.54472	1.2
85.02909	1.5
95.05875	1.2
99.02900	2.4
101.00871	4.4
103.02434	3.9
109.01354	1.6
109.06516	1.6
117.03986	25.1
119.01914	31.7
121.03474	3.0
127.02394	9.7
131.01871	2.9
135.05026	26.0
136.05173	1.3
137.02974	13.4
143.01881	6.6
145.03452	100.0
146.03560	4.9
147.01393	2.7
147.05016	1.3
157.07098	5.5
159.04979	7.6
161.01254	1.2
161.02950	9.9
163.04507	41.1
165.02449	2.4
167.05469	1.9
168.05069	2.7
169.03441	3.8
169.07057	1.5
171.01335	6.0
171.05006	4.5
175.08125	7.5
177.06003	2.5
183.05016	3.9
185.02902	2.9
185.06587	20.8
187.04550	10.0
189.02425	15.1
189.06084	2.8
195.05031	17.8
197.02942	2.5
201.06067	11.9
203.04025	2.8
203.07629	3.8
205.05545	2.2
207.03485	7.6
211.04510	10.9
213.00362	1.3
213.02600	2.3
213.06058	39.3
214.06201	2.7
215.03987	8.2
227.03931	4.4
229.05588	10.5
231.03452	4.9
231.07120	3.0
233.01447	2.6
233.05046	1.7
237.02397	2.4
239.04005	15.4
241.02020	3.2
245.04997	2.2
247.06653	4.0
251.02637	1.9
255.03517	5.4
257.05008	24.4
259.02939	3.7
273.04453	2.7
275.02548	1.7
275.05951	2.8
283.02948	8.4
291.05640	1.7
293.03320	1.4
301.04041	12.2
301.07364	1.9
303.01965	2.7
319.05164	3.2
327.01904	3.5
345.03018	5.6
367.45697	1.3
371.00934	7.5
389.02020	9.7
407.02811	4.1
407.11691	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.2634
Annotation	7alpha,12alpha-Dihydroxy-3-oxochol-4-enoate
Peak:m/z	Relative Intensity
53.03949	10.5
55.05494	36.1
65.03915	10.0
67.05503	88.1
69.03423	42.6
69.07059	27.2
70.03254	34.7
79.05493	63.6
81.03409	26.6
81.07050	87.8
83.04971	13.5
83.08587	11.3
91.05472	63.2
93.06513	10.3
93.07037	74.9
95.04970	23.5
95.08607	70.3
97.02915	12.1
97.06538	9.7
98.21455	10.8
105.07011	62.4
107.08581	54.1
109.06512	14.1
109.10154	25.1
111.04430	14.4
112.21911	8.0
117.07019	34.8
119.08595	54.0
121.06474	12.0
121.10155	25.9
123.04501	11.9
123.08071	9.3
123.11688	15.2
128.06271	9.8
129.06955	20.4
131.08575	56.9
133.10132	38.7
135.08136	11.0
135.11739	17.6
143.08591	32.1
145.10085	48.7
147.11711	22.8
149.06038	12.6
157.10117	20.0
159.08026	11.1
159.11713	36.7
161.09604	9.7
161.13216	15.1
165.12750	8.8
169.10097	11.9
171.11694	19.5
173.13257	16.3
175.14818	13.3
183.11650	9.0
185.13162	13.3
187.14784	9.7
201.12813	10.7
208.40442	8.8
208.79314	9.3
244.35219	9.3
253.98523	8.7
273.22198	16.6
277.21683	9.9
301.21542	17.3
303.23230	14.2
315.23264	18.3
327.23181	14.4
341.24689	13.9
345.24222	19.0
351.22964	18.3
369.24240	53.8
387.25345	64.1
405.26300	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	406.1339
Annotation	Unknow
Peak:m/z	Relative Intensity
51.24609	4.2
52.83539	4.7
55.01864	5.6
55.05495	4.1
56.04992	4.7
56.96531	4.2
57.03427	10.7
59.92744	4.4
60.04512	12.6
61.02907	6.3
67.32638	4.2
68.99770	5.6
69.03419	24.7
70.06574	9.2
71.52069	6.8
72.08136	4.7
72.87484	3.8
73.02895	11.8
81.03400	30.4
83.19493	3.7
84.04493	5.4
84.08124	10.5
85.02896	100.0
85.03386	9.0
86.09719	6.2
87.00814	30.7
97.02869	33.3
99.04447	12.1
105.01839	23.9
109.02866	92.9
110.07189	10.3
117.01878	6.0
127.03902	56.2
129.10248	5.8
133.02901	5.8
141.05443	39.0
145.04930	29.9
147.02931	5.3
147.04425	7.1
159.02904	15.9
165.05435	13.7
167.07025	7.2
172.95114	4.4
177.05510	8.2
189.03975	10.0
193.18236	4.4
203.07211	4.4
207.06508	10.9
213.03903	4.7
231.04797	8.7
249.07605	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	405.263
Annotation	7alpha,12alpha-Dihydroxy-3-oxochol-4-enoate
Peak:m/z	Relative Intensity
53.03928	8.7
55.01857	12.7
55.05503	32.7
56.63050	1.6
57.03428	9.9
65.03918	3.4
67.05495	69.6
68.99751	2.1
69.03422	21.6
69.07059	25.1
69.89132	10.1
71.01350	2.6
71.04991	8.4
73.02896	3.9
74.42233	1.7
79.05479	60.2
81.03402	28.0
81.07043	73.3
83.04971	16.4
83.08601	12.4
85.02899	10.7
85.06531	3.7
91.05467	69.1
92.25532	1.8
93.07030	64.2
95.04941	16.5
95.08594	58.0
97.02869	13.3
97.06526	11.5
97.10143	5.1
98.20851	3.2
99.04406	7.6
103.05447	3.7
104.06228	1.8
105.07012	73.4
107.04948	10.4
107.08580	43.1
109.02847	5.1
109.06494	12.9
109.10151	21.0
109.10855	2.6
111.04434	12.9
111.08069	3.6
115.05453	3.8
116.06246	2.0
117.07002	40.9
119.04898	2.9
119.08566	53.7
121.06493	9.9
121.10126	29.4
123.04394	5.0
123.08044	8.8
123.11655	6.6
125.09659	4.3
127.03871	5.3
128.06209	7.8
129.05440	5.8
129.06999	22.2
130.07730	3.2
131.04903	3.0
131.08551	48.3
133.06464	10.4
133.10104	45.3
135.08022	7.9
135.11688	20.0
137.05931	3.0
137.09602	4.4
139.11198	1.7
141.06946	8.5
142.07753	4.7
143.08548	27.2
145.06483	9.3
145.10107	42.2
147.08025	10.0
147.11670	25.5
149.05948	2.9
149.09601	8.3
149.13188	8.9
151.07512	5.6
151.11198	2.5
153.06964	3.2
153.09067	2.3
155.08521	10.5
156.09229	2.0
157.06464	3.5
157.10109	21.4
159.07991	6.0
159.11676	36.0
161.05940	2.8
161.09589	7.0
161.13206	13.3
163.11188	6.3
163.14742	4.3
165.06992	1.8
165.09061	2.2
167.08578	5.2
169.10100	10.5
171.08002	7.1
171.11662	18.0
173.09602	7.0
173.13222	23.0
175.11134	7.9
175.14787	6.8
177.09169	1.9
177.12701	6.2
179.10649	2.1
181.10101	7.3
183.11623	9.1
185.09586	6.2
185.13223	13.0
187.11143	6.6
187.14790	9.3
189.12740	5.4
193.10051	2.2
195.11707	3.5
197.09566	3.8
197.13272	6.9
199.11140	3.2
199.14789	6.0
201.12740	4.0
201.16299	3.1
203.10687	2.3
203.14417	3.2
205.12254	3.1
207.11818	2.5
209.13245	4.0
211.14781	5.7
213.12769	4.6
213.16345	2.2
215.14369	2.2
219.13707	2.1
221.13385	2.0
223.14789	2.4
225.12839	2.1
225.16267	2.1
227.14220	3.9
235.16939	2.4
241.15915	2.1
241.19482	3.1
243.20880	1.8
259.20593	7.5
261.22189	3.5
269.19156	2.6
271.20435	6.8
273.22098	7.5
275.19995	3.0
277.21579	6.8
283.20551	2.2
285.22095	7.2
289.21652	10.7
291.23187	5.3
297.22125	3.4
299.20108	3.4
299.23474	3.4
301.21609	13.8
303.23065	10.0
313.21576	6.0
313.25082	2.4
315.23151	15.6
319.22473	11.3
323.23654	3.9
327.23175	8.2
331.22699	7.4
341.24750	12.4
345.24213	11.0
351.23053	12.2
357.23941	2.4
359.25684	4.9
369.24191	53.8
370.24850	3.1
387.25262	43.7
405.26291	100.0
406.26569	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	406.2433
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	2.3
57.03424	4.0
60.50725	1.5
67.05495	3.9
69.03407	6.2
69.07064	4.8
69.23633	1.4
70.06588	3.5
70.78207	3.6
70.78605	3.0
71.04987	3.1
75.35841	1.6
77.37355	1.4
81.07051	3.8
83.04957	4.8
83.08604	4.5
84.08152	1.8
85.02888	3.8
86.09708	2.2
93.07031	4.5
93.73077	1.7
95.08592	4.2
99.65803	1.6
105.07019	2.2
107.08588	17.0
109.10156	13.5
118.96837	1.5
119.08559	2.2
121.06449	2.2
121.10139	14.6
123.11670	3.1
125.09651	2.7
131.08542	2.6
133.10106	5.1
135.08037	2.3
135.11661	4.8
137.09671	10.8
139.11148	3.2
147.11665	2.9
149.13205	9.0
151.11180	21.8
153.12787	2.4
153.61676	1.9
163.14813	14.0
165.12735	2.5
169.12216	6.9
173.13252	10.0
191.14291	37.9
194.41487	1.7
209.15385	24.5
227.16405	100.0
342.12509	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	405.2633
Annotation	7alpha,12alpha-Dihydroxy-3-oxochol-4-enoate
Peak:m/z	Relative Intensity
55.01863	12.2
55.05507	33.3
57.03409	9.8
64.87154	6.0
67.05499	78.0
69.03413	22.2
69.07076	30.5
71.04986	12.7
71.52519	9.3
71.52888	6.1
79.05486	58.5
81.03404	35.4
81.07043	75.6
83.04968	15.0
83.08607	12.8
85.02879	12.0
85.42255	5.0
91.05482	86.7
93.07048	78.5
95.04955	9.8
95.08601	62.2
97.02872	7.7
97.06528	10.4
99.04442	6.5
105.07023	66.9
107.04940	12.6
107.08579	43.7
109.06492	11.2
109.10142	18.4
111.04433	10.3
111.47941	6.2
115.05435	8.0
117.07014	42.3
119.08593	48.6
121.06448	8.7
121.10133	26.3
123.07984	5.8
123.27368	6.2
127.03882	10.0
128.06175	6.5
129.06963	22.7
131.08539	54.1
133.06445	10.7
133.10115	47.0
135.08031	10.8
135.11670	21.6
139.39818	5.2
143.08569	29.9
145.06451	10.9
145.10092	44.5
147.08090	13.8
147.11661	30.8
149.09578	9.9
149.13264	10.0
151.07506	5.7
155.08569	10.1
157.10120	22.5
159.08144	5.8
159.11671	40.9
160.22327	5.2
161.09639	8.8
161.13152	13.2
169.10135	17.3
171.11655	16.3
173.09622	5.9
173.13240	13.8
175.11102	6.5
181.10147	9.1
183.11676	14.3
185.09564	7.2
185.13248	17.9
187.11182	7.2
187.14806	7.0
189.12648	6.2
197.13226	8.9
199.14758	11.4
203.10651	8.8
220.34058	5.0
223.15010	6.2
277.21643	10.3
289.21570	12.7
292.11819	5.9
301.21677	13.1
303.23251	12.3
313.21408	7.0
315.23221	8.1
319.22421	9.3
341.24655	14.7
351.23004	15.9
369.24234	49.6
387.25198	47.0
405.26236	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.2629
Annotation	7alpha,12alpha-Dihydroxy-3-oxochol-4-enoate
Peak:m/z	Relative Intensity
53.03930	9.7
53.52864	7.4
55.01863	11.6
55.05506	48.2
57.03429	9.4
57.07067	9.0
63.21993	5.6
65.03923	7.8
67.05495	81.5
69.03410	30.3
69.07052	27.8
71.04973	10.6
71.52603	7.6
71.53053	9.5
79.05489	75.1
81.03410	19.3
81.07045	100.0
83.04978	24.4
83.08598	11.9
85.02891	12.0
91.05470	75.9
93.07023	80.9
95.04947	17.2
95.08594	73.6
97.02914	6.9
97.06512	13.3
97.10169	8.8
103.05430	8.5
105.07011	84.3
107.04933	10.0
107.08586	47.9
109.06487	9.1
109.10136	37.7
111.04403	20.3
115.05394	8.4
117.06992	35.2
119.08566	57.1
121.06528	8.0
121.10152	36.8
123.08075	9.0
123.11694	8.1
125.09599	14.8
127.03923	9.6
128.06227	10.4
129.05431	6.4
129.07001	28.2
131.08583	51.2
133.06456	12.9
133.10107	38.8
135.08040	12.6
135.11685	26.3
135.27081	6.2
137.09549	8.8
139.33646	6.4
142.07780	9.5
143.08536	34.6
145.06474	8.9
145.10098	41.3
147.08003	13.3
147.11676	25.3
149.09628	9.5
149.13231	17.8
155.08569	13.5
157.10101	17.3
159.08000	8.8
159.11650	31.2
161.09573	10.9
161.13228	12.9
167.08510	13.6
169.10168	14.8
171.11658	18.2
173.13281	17.5
175.11160	8.7
185.13293	16.2
187.14755	8.9
189.12735	10.5
199.14761	8.1
211.11157	7.5
267.17545	7.0
273.22202	5.9
277.21436	10.3
289.21738	9.2
294.36075	7.2
301.21558	16.0
315.23282	9.9
319.22510	11.4
331.22449	8.3
341.24881	13.2
345.24423	8.1
351.23145	14.6
369.24066	31.9
387.25385	35.7
405.26263	84.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.2275
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	2.5
55.05508	4.0
68.55676	2.0
69.03419	7.1
69.07037	1.9
70.06573	11.1
70.07813	11.0
70.08406	1.9
72.08137	4.4
79.05476	3.7
81.07048	4.1
83.04980	2.0
84.08125	9.0
85.02903	14.6
86.06027	3.0
86.09696	17.4
91.05455	7.7
93.07039	5.6
95.04954	4.9
96.84635	1.9
97.02885	5.0
100.53541	2.1
103.05478	2.0
105.03388	11.9
105.07031	16.3
107.08591	11.8
111.04456	2.2
115.65092	2.2
117.07014	2.4
119.08572	20.8
120.08084	3.2
121.10145	12.4
123.08037	4.1
123.11674	6.1
129.06984	3.0
129.10214	4.8
131.08533	11.1
133.10072	6.7
135.08047	19.5
135.10791	2.2
135.11702	2.2
139.74409	2.3
143.08566	10.0
145.10089	6.1
147.08020	14.1
147.11676	13.6
149.09630	11.7
156.09274	13.7
161.09589	2.5
161.13225	3.9
166.08574	2.2
167.07001	4.9
171.11674	32.9
189.12709	25.9
207.06525	6.3
207.13786	100.0
208.14188	2.7
263.11023	2.7
404.18900	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	404.2277
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.9
55.05493	3.6
59.04982	3.5
69.03426	4.2
69.07044	3.0
70.06581	11.4
70.92696	4.7
71.04983	4.5
72.08158	4.3
74.06071	2.0
79.05459	3.3
81.03386	1.8
81.07047	6.3
84.04485	5.4
84.08146	8.1
85.02901	17.9
86.09693	18.6
87.10042	4.0
87.51471	1.7
89.47681	1.7
91.05461	9.2
93.07028	5.6
95.04958	4.2
95.08609	2.2
97.02818	1.8
97.06538	2.1
99.04436	2.7
105.03376	7.7
105.07014	21.0
107.08598	14.8
109.02859	1.7
109.06487	3.0
109.10119	2.2
110.07130	2.6
111.04415	2.5
117.07005	2.5
119.08572	22.0
120.08067	3.0
121.10130	16.7
123.08065	4.0
123.11730	8.4
125.09605	3.2
127.03873	4.0
129.06978	3.5
129.10240	3.6
130.06616	2.2
131.08560	15.1
133.10118	4.4
135.08038	22.8
135.11716	3.1
136.07594	2.3
137.09590	1.7
143.08574	10.7
145.10095	5.1
147.08040	14.5
147.11699	16.9
149.09555	8.7
153.34669	1.7
156.09212	17.0
156.10428	2.5
159.11659	2.3
161.09550	2.4
161.13243	8.5
163.11136	3.3
165.09120	1.9
165.12735	2.3
167.07011	3.2
171.11670	35.0
174.10428	3.2
175.03906	2.2
179.07011	2.0
189.12746	27.0
207.06563	4.1
207.13791	100.0
215.13806	1.8
223.51425	1.8
263.11066	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.1739
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96299	1.3
56.96560	15.8
61.11068	1.1
65.47486	1.1
71.42117	1.9
71.95267	1.8
94.04174	2.6
98.97569	56.0
109.77184	1.1
116.98607	58.0
122.03633	4.7
130.43399	1.2
134.99643	48.5
137.05962	49.4
138.06305	1.5
140.00172	3.5
152.07018	2.0
153.00700	8.7
158.01263	5.8
176.07060	4.6
179.00212	1.0
182.82771	1.2
191.60364	0.9
197.01164	3.8
198.01990	2.4
215.02222	1.5
219.35164	1.2
220.00426	2.3
224.09517	1.5
226.11118	16.3
235.02744	47.1
238.01489	2.8
242.10675	2.0
244.12209	12.0
253.03813	100.0
254.04210	1.9
267.13843	2.6
268.12225	4.2
271.04877	7.0
276.05408	19.7
280.12158	2.0
329.12991	1.6
344.15387	7.7
362.16534	3.5
398.93729	1.2
404.17422	80.3
405.17746	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	404.155
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	0.9
57.03420	0.7
60.04519	0.8
66.33650	0.7
69.03407	2.0
70.06573	2.4
70.57979	0.8
70.58302	2.1
72.08133	2.3
84.08177	1.4
85.02906	6.3
86.09709	3.6
91.05483	12.4
97.02862	1.8
103.05495	0.7
118.04120	0.7
118.67506	0.7
119.04935	21.0
120.08089	1.6
127.03906	0.9
129.10214	1.3
144.06656	0.7
145.04964	1.3
147.03247	1.2
147.04405	20.3
157.03975	1.7
172.70921	0.8
175.03894	36.7
177.01776	0.8
179.06979	1.8
180.08636	0.9
192.04179	10.7
193.58318	0.7
207.06514	100.0
208.06853	1.8
225.07568	32.6
235.69965	0.7
245.20569	0.8
272.60294	0.7
280.97333	0.8
285.62930	0.7
326.28818	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.1548
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20508	0.9
55.01857	1.0
61.02903	1.4
69.03406	1.4
70.06593	1.2
70.68054	3.1
84.79211	0.8
84.94246	1.0
85.02897	6.2
85.94221	0.8
91.05472	15.3
97.02882	2.6
103.05492	0.9
119.04935	26.3
127.03925	1.1
133.02844	1.1
147.04405	21.8
149.02382	1.3
157.03989	2.4
164.04646	1.7
175.03894	47.9
175.74109	0.9
179.07076	2.6
189.63348	0.9
192.04204	10.7
198.41455	0.8
207.06511	100.0
225.07558	25.4
225.09749	0.8
405.12833	1.1
415.14246	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.2893
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01852	19.0
55.05498	11.9
57.03428	5.7
57.07069	56.6
57.95530	5.2
67.05500	26.3
67.51743	4.9
68.18102	4.7
68.91351	5.5
69.03436	34.7
69.07038	14.2
69.87109	30.1
70.17471	4.9
70.17876	4.7
70.68343	4.7
71.04972	12.1
71.08623	47.6
73.02909	9.6
79.05475	6.4
81.03417	38.4
81.07037	23.7
83.08602	17.7
85.02897	9.7
85.10169	19.1
95.08598	43.8
97.02884	60.9
97.10140	11.8
99.04446	75.5
109.02877	40.8
109.10142	19.4
111.11640	6.4
123.11710	10.9
127.03912	100.0
145.04929	11.9
239.23647	34.6
341.53543	5.1
383.27722	6.9
401.26706	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	403.1961
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01855	7.7
55.05508	7.8
56.05027	9.1
56.95355	5.3
61.02898	9.7
67.03104	5.4
67.05502	9.8
69.03423	31.8
69.07040	13.4
69.97415	4.8
70.06581	51.6
71.04991	30.2
71.41178	12.6
72.08150	49.1
74.06037	9.2
81.03397	10.3
81.07046	7.4
83.04958	13.2
84.04495	36.9
84.04897	5.6
84.08153	33.9
84.08548	5.6
85.02900	31.6
85.07742	6.0
86.09702	86.7
91.05479	46.1
93.07030	56.5
95.04961	10.8
95.08587	12.0
97.02857	17.7
99.04451	100.0
102.05532	8.1
103.05409	5.8
105.07001	15.8
107.08578	6.3
109.02827	7.5
109.06474	9.2
109.10152	10.0
110.07182	8.1
112.08712	6.1
115.08676	7.2
119.04925	19.5
119.08655	8.0
120.08121	9.9
121.06496	86.0
121.10192	5.5
123.08015	16.4
125.09613	17.9
127.07522	6.5
129.10199	20.5
130.37434	5.8
135.06253	5.6
136.07582	10.0
137.06029	7.2
137.09608	10.8
143.11795	11.7
144.06535	22.4
147.04414	21.3
147.08064	7.1
149.09578	7.4
155.10751	8.8
159.11646	12.5
161.09201	22.7
163.11128	8.4
165.09059	15.6
167.07059	6.4
170.86932	5.5
171.11311	11.4
175.03941	51.0
177.05530	6.1
187.11092	6.8
192.04103	16.3
201.12364	10.5
205.12233	62.7
207.06517	99.5
223.13199	26.4
225.07655	26.6
233.14906	10.6
241.14357	52.2
245.89929	5.7
290.71631	6.2
335.62692	5.5
403.15192	15.9
403.20074	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	401.1805
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	11.2
55.01868	21.6
55.05492	15.6
57.03421	13.1
61.02911	4.1
65.03930	6.4
67.05220	3.1
67.05499	32.0
68.99773	10.4
69.03422	47.8
69.07049	11.7
69.66394	24.3
70.06570	13.3
71.04989	7.5
72.08127	6.6
73.02926	6.5
76.67812	3.1
79.05480	42.9
81.03413	54.9
81.06586	6.0
81.07046	87.0
83.04959	14.5
85.02894	37.4
85.06516	5.3
86.09702	21.6
87.00827	25.0
87.04441	4.0
91.05461	36.1
93.07040	42.4
95.04971	41.7
95.08605	23.6
97.02887	18.9
97.06523	13.3
98.20844	4.8
99.04459	21.3
101.02322	4.0
103.03928	8.8
105.01877	8.2
105.07018	48.9
107.04943	24.9
107.08579	38.6
109.02861	13.1
109.06508	41.8
109.10164	19.5
111.04405	10.2
111.08081	5.7
113.06011	5.7
115.03921	4.7
115.05434	5.7
117.07005	15.2
119.08575	90.9
120.08065	4.1
121.06486	14.9
121.10133	26.0
123.03581	5.9
123.04424	100.0
123.08056	10.6
123.11682	8.5
124.05157	5.3
124.88749	3.4
125.05952	12.0
127.03898	12.5
128.06181	6.3
129.01814	10.9
129.05501	4.5
129.06995	4.0
131.04919	7.0
131.08566	15.2
133.06465	11.5
133.10118	24.7
135.08052	10.9
135.11684	20.5
137.05972	6.6
137.09616	16.6
141.05473	10.3
142.07750	8.6
143.08530	11.7
144.05632	4.5
145.06477	6.9
145.10123	31.4
147.02873	4.4
147.07970	6.9
147.11661	16.1
149.06023	8.6
149.13196	4.9
149.93298	3.7
151.07524	24.3
151.11171	18.2
153.12717	4.3
155.07040	4.4
155.08441	4.9
157.10141	22.6
159.02876	4.9
159.08089	12.3
159.11693	31.9
161.09575	7.7
163.07549	7.3
163.11160	15.5
167.07033	58.6
167.08417	8.3
169.10085	7.6
171.11697	4.6
173.06084	3.6
173.09648	8.4
173.13257	6.0
175.11191	15.1
177.05443	6.5
177.12738	8.7
179.07043	19.3
181.04947	8.1
181.10112	6.5
183.11617	12.2
183.13066	3.6
187.07440	5.7
189.03923	6.3
191.06972	5.3
192.09262	5.0
193.12262	5.7
197.08191	7.0
197.13161	9.9
201.12750	8.8
205.08556	5.6
207.11494	4.2
208.05118	13.5
217.08571	8.2
219.08055	4.8
219.10162	4.3
219.13794	5.6
221.05981	4.6
225.12708	12.4
233.09737	4.1
236.08212	4.0
243.13713	19.5
247.07516	6.4
247.09726	6.0
248.08211	5.6
255.08511	3.9
261.08994	3.7
261.14920	11.3
269.08081	9.5
271.88159	4.5
275.07129	5.0
276.07825	4.3
282.08920	4.8
291.10049	7.3
307.09637	5.8
310.08273	4.5
315.08521	29.6
323.12646	5.3
330.10992	32.5
331.12027	6.9
343.11679	9.4
351.12204	8.1
365.15875	6.5
383.14474	29.2
401.16751	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	401.1802
Annotation	Unknow
Peak:m/z	Relative Intensity
50.30241	4.1
53.03918	6.9
55.01865	13.5
55.05494	12.4
61.02937	7.5
64.60692	4.7
65.03917	8.2
66.20867	5.0
67.05519	23.6
68.99776	11.7
69.03418	34.8
69.07050	14.9
70.06590	9.1
70.79523	12.3
70.79855	4.8
71.04988	8.5
73.02917	5.4
77.91673	4.2
79.05495	37.3
81.03414	39.3
81.07053	47.5
83.04963	14.9
84.08121	5.3
85.02895	39.9
85.06522	4.5
86.09688	11.7
87.00823	17.3
91.05469	26.0
93.07022	39.5
95.04952	20.3
95.08586	20.6
97.02873	11.7
97.06510	12.9
99.04425	11.5
105.01839	9.9
105.07014	35.2
107.04960	37.9
107.08609	48.8
109.02884	16.8
109.06493	21.1
109.10119	18.2
111.04450	8.2
117.07011	8.1
119.08578	40.2
121.06471	11.9
121.10130	11.6
123.04423	53.1
123.08051	5.6
123.11703	6.5
125.05946	11.1
127.03909	22.0
129.01791	8.7
129.06984	9.3
131.08562	24.4
133.06454	8.1
133.10100	11.2
135.08041	8.5
135.11674	26.9
141.05399	6.9
141.06927	9.0
144.05701	12.3
145.06467	10.2
145.10098	14.8
147.08047	7.8
147.11676	13.7
151.07545	9.9
153.05457	7.2
153.12755	17.3
155.07007	4.8
156.05664	11.0
157.10118	15.5
159.08040	17.1
159.11653	16.0
161.05930	7.4
161.09563	6.7
163.11145	12.5
165.12723	11.9
167.07036	100.0
169.22942	5.0
171.11646	7.6
173.06055	5.8
175.11191	11.7
177.05586	5.4
177.12737	6.0
179.06993	9.2
181.04933	15.6
181.08707	5.7
187.07497	12.5
193.12160	8.3
195.06416	6.3
197.08067	6.8
197.13278	5.1
201.12607	6.3
203.10565	7.8
204.07736	5.1
205.08575	12.8
208.05161	20.7
217.08603	37.6
219.08186	11.5
219.10155	14.9
220.08659	4.9
221.05977	9.4
225.12738	6.6
226.29826	4.9
231.07950	9.4
243.13808	22.3
247.07446	10.0
247.09645	16.6
248.08391	10.9
254.05614	6.8
261.09067	5.5
261.14853	27.6
263.10614	9.4
264.07950	8.1
265.08612	6.2
267.06677	5.8
269.08051	15.9
272.06607	5.1
277.08585	7.6
279.10162	7.9
282.09055	9.4
288.64709	4.8
291.10181	9.6
292.07208	5.6
293.08047	11.2
294.09027	5.0
297.16852	5.4
299.09079	5.9
307.09470	9.3
310.08490	7.7
315.08633	61.6
319.09521	8.0
323.12717	15.7
330.10974	74.0
331.11441	9.6
339.12271	7.0
343.11655	14.2
347.14804	12.8
351.12164	31.3
353.10510	5.6
365.15814	7.0
368.12369	9.5
369.13330	5.3
371.14865	7.1
383.14664	54.6
401.16061	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	401.1592
Annotation	Unknow
Peak:m/z	Relative Intensity
50.41692	1.9
53.03949	2.9
59.14496	2.3
61.73814	2.0
70.06586	8.2
71.13187	6.1
78.50288	2.4
79.05480	10.5
84.08131	2.5
86.09703	6.3
91.05470	6.4
93.07010	2.8
95.04963	4.5
107.04950	30.1
115.05439	5.0
121.06503	3.3
123.04404	5.6
124.05191	5.6
128.06212	4.5
129.06985	9.1
131.08537	8.1
135.04434	2.4
141.07004	5.0
144.05678	7.9
145.06490	6.9
152.04671	4.7
154.08620	34.9
156.05696	14.2
157.06464	4.6
158.07175	2.7
159.08051	17.6
161.05922	2.7
165.05569	2.6
167.07028	100.0
169.06407	2.7
173.06001	4.5
176.07074	3.0
177.05470	2.9
179.06958	4.1
182.07275	3.0
184.05103	2.8
186.06805	2.5
187.07462	13.4
190.06206	5.2
191.06995	2.9
202.06250	6.3
202.07864	3.3
204.07649	3.6
205.06682	4.3
205.08521	19.5
207.06570	5.6
207.10066	2.9
208.05156	18.9
210.06827	3.1
217.08557	34.7
218.07245	4.3
219.08066	14.8
219.10144	6.3
220.08850	4.1
221.05959	6.3
229.08514	3.7
231.08046	7.6
233.09584	4.8
234.06509	4.0
235.07562	6.0
236.04626	8.0
236.08228	4.7
239.07161	2.9
240.04236	2.6
240.43788	2.6
246.07001	3.9
247.07477	19.1
247.09689	23.2
248.08261	12.1
249.05389	3.4
249.09134	6.0
250.06212	3.7
254.05653	6.7
259.07541	5.9
261.09113	2.9
263.06897	3.3
263.10703	7.5
264.07849	8.0
265.08411	5.0
267.06485	9.1
269.08075	21.6
271.09622	8.8
272.06775	3.7
275.07043	5.9
276.07776	9.5
277.08487	6.8
279.10168	10.1
282.05328	3.9
282.08774	13.8
290.09357	4.5
291.10065	15.0
292.07230	4.4
292.10632	3.1
293.08093	10.0
299.08984	4.5
301.07230	4.2
305.07877	3.5
307.09641	9.6
308.10135	5.6
309.10938	3.0
310.08325	7.8
311.12665	2.8
315.08612	66.9
316.09143	3.4
319.09653	7.7
320.10129	2.9
321.07437	3.4
323.12778	18.0
325.10529	3.9
328.09445	4.9
330.10934	80.8
330.14883	4.3
331.11719	14.4
336.09824	3.8
337.10608	6.6
338.11435	2.6
339.12268	9.9
343.11685	23.2
351.12286	32.0
352.12735	5.9
353.10327	6.4
368.12613	11.9
369.13208	6.3
371.14828	4.7
383.14850	55.7
384.15311	3.2
401.16040	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	401.1801
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	14.6
53.42447	1.5
55.01860	19.7
55.05509	18.6
57.03438	10.9
57.07061	5.4
61.02932	14.7
67.05496	18.3
68.99783	22.5
69.03422	58.1
69.07066	31.6
69.73050	11.7
70.06574	6.7
71.04984	12.9
72.08143	3.9
73.02911	11.1
73.03255	1.7
73.06543	2.2
79.05487	23.5
81.03413	56.6
81.07050	54.9
83.04980	9.4
83.08607	15.5
85.02898	100.0
85.06535	1.7
86.09702	15.7
87.00310	2.9
87.00816	49.7
87.04440	3.3
91.03974	4.3
91.05464	17.9
93.07036	44.5
94.27158	1.6
95.01323	2.1
95.04954	17.1
95.08603	39.9
95.81728	1.9
97.02884	48.4
97.06517	33.6
99.04443	22.2
103.03935	3.9
103.05468	2.7
105.01859	29.5
105.07022	25.3
107.04930	7.0
107.07877	3.2
107.08579	52.6
109.02875	46.3
109.06519	14.3
109.10151	23.6
111.04446	8.2
111.08051	8.2
115.03928	4.8
115.05405	2.8
117.01795	3.2
117.07024	7.0
119.08565	27.4
120.08149	1.9
121.06492	9.5
121.10146	14.2
123.04428	32.5
123.08057	9.2
123.11680	5.5
124.84527	1.7
125.05969	3.1
125.13261	3.3
127.03905	76.4
127.07504	2.2
129.01819	21.8
129.05505	2.2
129.07037	3.6
131.08548	11.3
133.06479	3.7
133.10120	11.7
135.08063	4.5
135.10684	3.5
135.11668	39.8
137.05957	5.0
137.09627	6.6
137.13251	7.1
139.07507	2.3
141.05469	2.2
142.07765	2.4
143.08525	7.5
144.05727	1.8
145.04958	21.5
145.06491	3.0
145.10098	16.2
146.43906	1.7
147.02858	9.3
147.11652	11.4
149.05991	3.4
149.09570	2.4
149.13254	4.6
151.07512	8.6
151.11163	9.2
153.12717	35.7
155.08517	3.6
156.05603	1.8
156.09329	2.3
157.10083	10.9
159.02872	22.8
159.08025	6.6
159.11684	12.7
161.09657	5.2
161.13188	3.1
163.07544	4.9
163.11151	11.2
165.12714	10.4
167.07027	12.5
167.08356	2.5
169.10080	3.2
171.11630	4.0
173.09610	6.2
173.13319	4.0
175.07542	2.4
175.11172	6.8
177.12703	6.5
179.06990	5.1
179.10620	1.9
181.08528	2.4
181.12224	3.5
183.11664	3.5
185.09639	2.7
187.07518	4.1
187.11127	3.4
187.14609	1.6
189.03928	4.2
189.12645	3.2
193.12192	4.3
195.13812	3.3
197.08047	1.9
197.13261	4.1
201.03949	2.4
201.12697	3.7
203.10574	2.6
205.08559	2.3
205.12054	2.1
208.05270	3.0
213.03879	4.3
215.14296	4.1
217.08577	2.9
217.15396	2.1
219.10294	2.4
219.13756	5.1
225.12698	4.5
231.04974	8.0
233.15382	2.4
243.13722	14.5
261.14816	17.7
279.15811	2.9
297.17062	5.0
308.10388	2.9
315.08551	5.3
315.17899	2.5
321.16830	2.6
330.10919	7.4
343.11789	2.4
347.14883	7.1
351.12057	2.7
365.15936	6.7
383.16492	5.4
401.16736	5.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1591
Annotation	Gomisin R
Peak:m/z	Relative Intensity
55.01862	2.6
55.39388	2.4
55.66934	2.6
55.77846	3.1
61.39578	2.5
65.33342	2.3
69.87691	16.2
70.06590	18.9
71.04977	2.8
72.08139	8.1
74.14600	2.3
79.05470	10.3
85.02876	3.6
86.09704	17.2
91.05469	7.1
95.04931	5.4
107.04935	28.6
110.17062	3.0
115.05445	6.3
116.06222	4.8
117.23732	2.5
119.04896	3.1
120.08082	3.2
123.04465	5.1
124.05175	6.2
125.05978	2.8
129.07010	6.9
129.10231	3.1
131.08566	9.0
137.05977	3.9
141.06902	3.3
144.05736	6.0
145.06450	6.4
146.06012	3.0
156.05690	15.2
157.06467	4.1
157.09729	4.6
159.08057	15.4
161.05940	2.6
163.03862	4.5
164.01100	2.7
165.07013	2.7
167.07027	100.0
169.06378	3.4
173.06021	4.8
181.04968	2.5
186.06792	3.5
187.07518	11.2
190.07878	3.5
191.08588	3.0
195.06535	4.4
205.08563	19.5
207.06438	6.6
208.05191	18.9
211.07524	4.0
217.08530	32.5
218.07280	4.0
219.08047	11.0
219.10052	5.0
220.08809	4.1
221.05949	6.7
229.08524	5.5
231.08026	9.1
232.08926	3.0
233.09616	3.9
234.06732	3.2
235.07446	5.3
236.04688	7.7
236.08351	4.5
239.06940	4.0
245.09558	3.9
247.07466	11.5
247.09686	22.3
248.08281	12.6
249.08961	5.8
251.07051	3.0
251.10579	3.8
254.05731	8.8
261.09158	4.5
263.06845	3.7
263.10675	12.4
264.07803	6.2
267.06503	4.8
269.08069	22.2
271.09647	10.5
272.06827	3.9
275.07135	5.4
276.07767	9.2
277.08499	7.1
279.10046	6.4
282.05606	3.5
282.08752	15.5
290.09457	3.5
291.07147	3.4
291.10138	14.8
292.07217	3.0
293.08029	7.5
299.09103	3.2
307.09653	9.1
308.10526	6.4
310.08258	7.6
311.12753	3.8
315.08563	72.1
316.09152	5.0
319.09726	8.3
323.09302	2.8
323.12747	15.6
328.09329	4.5
330.10944	75.9
331.11731	16.3
336.09946	3.8
337.10727	5.7
339.12415	8.9
341.13998	2.8
343.11676	18.3
351.12228	27.3
352.12927	5.1
353.10138	4.5
368.12479	11.6
369.13092	7.6
371.14856	3.7
383.10223	5.4
383.14871	62.6
401.15778	26.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1589
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	3.2
55.01866	6.3
65.03940	2.9
67.05482	6.4
69.03423	7.8
70.06585	6.7
70.84274	8.5
71.04976	3.4
79.05487	18.5
81.03413	5.9
81.07053	10.2
85.02896	5.8
86.09676	9.1
91.05472	10.2
93.07025	10.1
95.04953	9.1
95.08567	4.3
95.40016	3.0
97.02912	3.8
101.21296	2.6
105.07035	12.1
107.04956	37.6
107.08603	6.8
109.02856	3.9
109.06502	6.6
115.05425	8.8
117.07020	4.6
119.04894	3.0
119.08569	14.4
121.06460	3.8
121.10087	3.1
123.04395	16.0
124.05173	7.9
125.05928	3.9
128.06180	4.8
129.07004	10.4
131.08571	13.6
133.10104	8.5
135.11661	6.7
141.06998	6.7
144.05690	7.4
145.06482	9.2
145.10107	3.7
145.62880	2.7
147.11714	3.1
151.07524	4.7
151.11128	3.3
156.05667	11.6
157.06438	3.6
157.10089	4.6
159.08034	15.8
159.11661	7.6
161.05960	6.3
161.09612	8.1
163.03900	3.0
163.07578	3.2
167.07024	100.0
169.06390	4.1
169.07697	3.0
169.09984	3.4
173.06041	4.6
174.06763	4.7
175.11220	4.7
179.07011	5.9
181.04994	5.8
181.08615	5.0
184.04953	3.1
187.07547	13.7
191.08508	3.7
193.12135	5.6
195.06549	4.3
202.06218	4.8
203.08644	3.7
203.10524	5.9
205.08490	14.2
207.06538	5.3
208.05186	16.7
217.08543	33.4
218.07285	3.7
219.08055	12.0
219.10136	7.2
220.08687	3.1
221.05971	7.2
221.11603	5.9
229.08566	4.2
231.07962	7.4
231.10120	5.0
233.09639	3.6
235.07405	3.1
236.04643	6.0
247.07578	13.1
247.09666	19.9
248.08336	10.1
251.10638	3.2
254.05827	10.6
259.07538	5.5
260.08231	3.9
263.06964	4.6
263.10614	7.6
264.07733	7.1
265.08685	7.7
267.06464	6.1
269.08017	24.5
271.09613	11.4
272.06757	3.9
275.07019	6.3
276.07828	8.1
277.08615	7.7
279.06949	3.4
279.10135	10.3
282.08847	16.1
289.08405	3.8
290.09357	3.6
291.10040	16.7
292.07361	6.4
293.08087	10.2
299.09015	5.4
301.06982	3.1
305.08127	3.7
307.09607	9.2
308.10382	7.9
310.08353	9.3
311.12778	3.0
315.08585	71.7
316.08972	4.2
319.09610	7.5
321.07483	4.4
321.11093	3.8
323.12854	13.6
325.10446	3.5
328.09406	5.8
330.10928	73.2
331.11591	14.2
337.10724	7.6
339.12341	6.7
343.11719	17.8
351.12213	26.2
352.13022	4.8
353.10089	4.3
368.12463	11.0
369.13315	3.1
383.14825	56.6
384.15625	3.1
401.15967	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	399.1646
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03919	2.2
54.14552	0.5
55.05512	0.9
57.03429	5.8
61.02929	3.1
69.03085	1.0
69.03426	11.2
69.07085	0.7
70.06580	3.9
71.04972	1.2
71.08572	0.8
71.27687	1.3
72.08152	1.0
73.02901	2.3
75.04466	1.2
77.03951	0.6
77.06134	0.6
81.03411	5.9
81.07008	0.6
83.05003	0.6
84.04486	0.7
84.08145	1.6
85.02900	27.4
85.10153	0.6
85.14095	0.5
86.09691	1.8
87.04467	1.6
91.01554	0.6
91.03918	0.7
91.05489	1.4
95.04955	1.7
95.26913	0.6
97.02879	10.4
99.04448	2.4
102.04661	1.0
103.03947	1.8
103.05457	45.1
105.03377	1.3
105.07022	1.8
107.04943	1.1
109.02868	4.5
110.07162	1.1
110.73678	0.6
111.04417	0.8
115.03891	0.9
117.05466	1.7
120.08143	0.8
122.06005	0.6
127.03910	8.9
129.05438	1.2
129.73854	0.6
130.04085	1.2
131.04916	100.0
132.05272	1.3
133.06456	1.4
136.06195	0.6
136.07576	1.5
145.04971	3.3
148.05180	12.0
149.05988	1.1
157.06404	0.8
158.07336	0.7
159.06477	0.7
160.05270	0.6
161.05917	5.0
163.07529	51.3
164.07950	0.9
169.50891	0.6
171.06496	0.8
175.07591	1.6
187.07520	0.7
201.09100	2.9
205.08530	0.8
237.11299	1.9
250.09344	1.0
399.15625	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1592
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	3.3
56.76239	1.5
61.84655	1.5
70.06567	2.0
70.92504	3.1
71.05005	1.7
77.03925	2.1
78.04691	2.7
79.05489	15.0
91.05458	5.7
95.04953	5.7
103.05421	2.6
105.07012	1.8
107.04955	30.4
115.05456	6.1
116.06217	1.9
117.07005	2.2
122.03587	2.5
123.04408	5.4
124.05185	4.9
125.05979	2.8
128.06216	3.2
129.07025	8.0
131.04979	2.0
131.08554	10.8
141.07001	4.1
144.05669	7.6
145.06425	5.9
152.04697	2.9
153.05438	2.3
156.05659	14.3
157.06429	3.7
159.08032	18.4
160.05003	2.1
163.03928	3.5
165.06900	2.0
167.07025	100.0
168.07364	3.1
169.06458	3.3
170.81207	1.6
172.05215	1.9
173.05991	4.9
179.06927	3.2
181.04958	2.3
181.06436	2.4
181.08513	2.9
182.07228	1.7
184.05255	3.9
186.06609	2.9
187.07475	11.2
190.06152	2.1
190.07755	2.9
193.08643	2.7
195.06445	3.6
195.07986	1.9
202.06215	4.8
203.08566	2.4
204.07784	2.5
205.06682	3.3
205.08549	14.3
207.06499	5.1
208.05165	22.1
208.08656	2.4
209.08038	2.3
210.06755	2.4
211.07469	2.0
217.06544	3.2
217.08560	33.5
218.07198	4.6
219.08015	12.8
219.10152	6.8
220.08829	5.7
221.05972	6.3
226.06110	2.0
229.08603	5.9
231.08076	9.2
231.10095	3.4
233.05995	2.3
233.09676	3.7
235.07574	3.9
236.04636	5.8
236.08276	6.0
238.06177	2.8
239.06987	2.0
240.04164	2.9
245.09558	3.4
247.07474	17.8
247.09668	25.1
248.08202	10.9
249.05388	2.7
249.09058	5.9
250.06334	2.9
251.06772	2.0
251.10670	2.1
253.08525	1.7
254.05826	9.3
255.06535	3.0
258.06711	2.3
259.07471	2.7
261.05383	1.9
261.09058	4.6
262.09866	4.4
263.07037	3.0
263.10602	6.8
264.07776	10.0
265.08582	6.7
266.05692	2.1
267.06631	3.8
268.03821	1.9
269.08047	19.0
271.09488	8.5
272.06638	2.8
275.06866	8.1
276.07776	8.2
277.08615	6.3
278.09207	1.9
279.10248	8.7
281.07913	2.8
282.05795	2.8
282.08817	14.5
284.06985	2.1
289.08572	2.1
290.09341	4.5
291.10098	16.0
292.07224	4.8
292.10843	1.9
293.08063	8.8
293.11026	2.2
294.08606	2.5
299.09052	4.8
300.06226	1.9
301.06952	3.3
304.07333	2.3
305.08014	3.5
305.11664	2.3
307.09552	9.8
308.10223	8.3
309.11066	2.1
310.08344	7.6
311.09348	2.4
311.12708	3.5
315.08582	67.5
316.09113	3.2
318.08881	2.1
319.09613	9.7
321.07617	4.0
321.11163	2.5
322.08319	3.0
323.09213	2.8
323.12689	16.3
325.10840	3.3
328.09430	6.1
330.10959	77.6
331.11703	12.4
335.09146	2.5
336.09961	5.1
337.10666	7.6
339.12317	10.1
340.13339	2.1
343.11758	22.6
351.12207	30.1
352.12912	3.6
353.10117	5.8
356.12390	2.6
368.12646	9.3
369.13092	4.1
371.14905	5.7
383.14847	59.0
384.15207	4.5
401.15942	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	399.1647
Annotation	Unknow
Peak:m/z	Relative Intensity
50.85983	0.5
53.00301	0.9
53.03940	2.9
55.05500	1.7
57.03424	0.6
57.07072	3.3
59.04985	1.8
61.02916	3.0
65.03934	0.9
67.01855	0.6
67.05499	7.9
68.99789	4.8
69.03423	6.0
69.07059	100.0
70.06598	1.1
70.07394	1.0
71.04991	2.2
71.08616	1.3
71.51935	1.0
72.08188	0.7
75.61545	0.5
76.19392	0.5
79.05470	3.4
79.52460	0.5
81.03411	12.5
81.07045	31.4
83.04961	3.0
85.02896	8.5
87.00827	3.8
91.05466	1.3
93.07038	1.5
95.04949	2.6
95.05515	0.6
95.08607	5.3
96.62972	0.6
97.02879	3.0
99.04456	1.9
101.06009	0.6
105.07037	1.0
107.08575	5.4
109.02857	9.9
109.06512	3.7
109.10140	8.2
109.10833	0.7
111.04430	0.7
121.06563	0.6
121.10143	1.5
123.08091	1.9
123.11689	43.8
127.03889	12.0
129.01822	7.2
133.10143	0.9
147.02879	6.0
151.11157	45.2
152.11501	0.9
191.07103	0.7
195.37004	0.5
213.01358	0.5
213.03947	0.8
295.15472	0.8
381.15256	0.7
399.16486	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	399.0778
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05027	4.6
56.96299	4.7
56.96560	61.9
58.55067	2.6
59.60913	2.5
66.16093	2.8
69.03418	15.0
70.34032	12.2
71.08640	3.2
71.98355	2.4
74.06098	3.4
76.30027	3.1
80.18433	2.6
81.03378	3.7
83.84575	2.8
84.08144	2.8
84.96035	23.8
85.02894	35.6
97.02887	26.4
98.96941	5.1
98.97579	98.3
99.53934	2.5
101.00863	6.9
101.06020	3.4
102.05510	9.0
109.02888	4.8
110.97585	17.3
112.07622	3.2
112.87793	2.6
116.97837	4.1
116.98612	66.1
119.01906	30.3
122.64405	2.7
125.99722	2.8
127.03935	4.2
128.07289	2.6
128.98590	26.9
130.08647	3.8
131.00151	5.8
131.01892	18.0
134.99651	42.5
136.06166	20.7
137.02988	6.1
143.00159	13.8
143.01883	3.4
143.65388	2.9
144.98073	3.3
145.03419	12.4
146.99634	29.6
147.06544	3.3
149.01207	7.5
153.00728	8.5
155.01872	8.1
155.87167	2.6
158.01236	3.4
158.99657	11.4
161.01198	34.1
161.02895	11.2
162.99132	5.1
165.00700	3.7
169.01740	6.8
170.99586	7.4
173.02933	7.8
175.04443	2.9
176.99214	3.0
177.00636	21.1
179.02222	12.0
179.03680	3.2
183.05104	6.2
184.02629	2.9
185.02977	8.4
187.02818	5.7
187.04494	8.0
189.00688	13.5
192.52017	2.9
194.99655	4.1
195.01646	7.6
195.04980	2.9
197.02939	23.2
199.04529	8.0
200.02406	2.9
201.00705	11.8
203.03947	3.4
204.05502	2.8
209.02893	11.1
211.02724	4.5
211.04517	5.2
213.00671	59.8
213.02469	28.3
215.03893	5.6
219.01721	49.0
221.02937	6.1
221.05003	4.6
223.00885	5.8
223.04530	8.2
227.03931	6.3
231.01660	51.5
231.03601	8.5
235.04582	7.4
236.02031	3.5
236.04274	3.3
237.02693	78.2
237.05327	3.9
237.06198	3.9
239.03949	4.1
241.01933	2.9
245.02936	4.3
245.05194	4.9
247.04509	4.0
249.02524	12.8
250.09381	18.2
251.03973	7.2
253.05588	5.7
255.03667	49.2
260.04474	4.7
261.02316	4.8
263.03943	12.7
265.05685	3.7
267.03616	20.7
273.04785	5.1
275.04245	2.7
278.05029	3.6
279.03891	20.2
281.05411	14.2
285.04749	5.7
291.03433	11.2
297.04837	20.7
303.03378	3.9
321.02731	3.6
339.05692	100.0
340.05716	6.2
357.06747	73.2
358.06747	5.2
362.07129	4.3
375.07809	16.6
380.08267	6.6
393.08685	37.0
399.06183	51.1
399.12900	5.3
400.06427	4.3
417.07120	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	399.0598
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96560	66.8
61.00332	1.3
61.02905	1.5
69.03422	4.8
70.06573	3.2
70.95037	3.2
71.08617	2.6
71.95247	2.3
81.03410	2.1
84.08145	1.7
84.96037	18.7
85.02905	9.4
97.02887	8.3
98.21344	1.8
98.97576	100.0
101.06011	2.6
102.05511	2.4
102.97060	4.9
110.97561	19.5
112.99106	3.1
116.98611	88.3
119.01897	6.4
127.03889	1.8
128.98601	35.7
129.05495	2.1
131.00145	8.5
131.01872	2.9
134.99646	50.3
136.06155	6.2
140.00151	1.6
140.98596	3.1
143.00166	12.8
144.98041	4.2
146.99644	30.2
149.01176	7.7
153.00679	6.0
154.53082	1.7
158.01259	3.1
158.99634	10.8
161.01221	45.3
161.02737	1.8
162.99104	6.1
165.00667	6.1
169.01799	4.2
170.99580	9.0
176.98613	3.2
177.00702	24.4
179.02248	13.0
182.99686	2.9
184.02881	2.6
187.02751	5.9
187.04335	1.6
189.00674	10.3
193.00177	1.7
194.99640	10.7
195.01656	5.2
197.03053	3.5
197.27156	1.5
201.00652	16.9
207.01755	4.6
213.00685	79.0
213.02441	4.9
219.01767	53.5
231.01736	61.8
233.02936	1.7
236.02167	2.1
237.00806	3.5
237.02782	86.3
238.03139	1.9
242.03346	3.0
249.02611	3.1
250.09290	6.0
251.04233	1.8
254.03445	1.9
255.01620	7.8
255.03987	12.0
260.04514	3.9
261.02841	4.1
267.01416	2.6
267.03873	2.7
273.02805	6.1
279.01215	2.1
279.04092	7.1
281.05341	2.1
285.02853	1.9
291.01572	12.6
297.02365	3.1
297.05026	2.3
299.04257	1.8
309.02765	3.6
321.02856	2.1
327.03842	2.6
339.03561	20.3
357.04761	35.8
375.06006	10.7
380.06705	4.6
393.08667	7.4
399.05945	62.9
417.07040	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	398.2017
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05018	21.3
61.01127	14.2
69.03410	10.3
69.22163	52.9
70.06596	38.0
71.04969	6.6
71.14832	4.5
72.08130	13.1
81.03413	10.8
84.04498	16.9
84.08141	35.0
85.02901	78.5
86.09690	28.5
91.05444	5.7
94.07309	4.4
95.04954	6.5
97.02889	23.0
99.04433	34.1
100.11288	5.8
103.03937	76.3
104.05309	16.5
107.10502	4.8
109.02843	18.1
110.07137	11.5
118.81680	4.8
120.08108	25.6
123.04507	6.1
127.03902	100.0
129.10162	13.3
130.08556	5.0
133.10141	7.1
136.06134	5.8
136.07579	7.0
137.05991	6.7
145.04926	51.3
163.06020	50.3
167.07062	5.3
219.17415	6.7
289.09082	8.0
307.10092	12.7
398.16364	6.3
398.32462	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	398.2017
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	6.8
54.48685	4.3
55.05519	6.0
65.78756	3.2
69.03424	17.7
69.73281	8.9
69.73691	14.1
70.06591	39.6
71.04994	8.6
72.08151	8.8
73.02891	4.2
74.69333	4.1
81.03410	15.7
81.07061	5.1
82.98467	3.4
83.04973	4.8
84.04510	8.1
84.08152	17.1
85.02902	71.6
86.09697	14.2
91.05483	6.9
93.07012	4.6
95.04957	3.5
95.08591	5.1
97.02882	23.0
99.04440	33.9
103.03931	100.0
104.05333	4.1
105.07019	12.9
109.02866	16.2
109.10169	3.9
110.07171	6.7
115.59061	3.4
116.07056	8.8
120.08115	5.1
127.03917	91.3
129.10239	5.6
133.10150	9.0
133.49806	3.4
137.05945	4.9
137.09566	6.8
145.04944	59.2
145.10126	4.5
147.11659	5.0
163.06003	48.2
169.13379	5.3
171.11533	4.3
189.12807	6.4
195.06682	4.0
207.13771	14.9
265.12787	6.2
271.08054	4.3
289.09512	3.7
289.12775	18.4
307.10422	6.4
307.13739	9.1
326.73468	3.8
351.62158	3.7
398.16730	7.4
409.17111	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	397.3826
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	2.1
55.05518	14.0
57.07076	18.4
64.52000	2.0
65.03934	2.5
67.05170	2.7
67.05499	29.1
69.07064	28.5
69.84894	11.1
71.08628	17.5
77.38147	1.9
79.05490	16.4
81.06597	3.0
81.07051	56.4
83.08615	18.4
85.10169	11.6
91.05478	16.4
92.22586	1.6
93.07037	28.8
95.04945	2.6
95.08601	49.1
97.10152	12.9
105.07032	30.9
107.08585	29.7
109.10144	37.5
111.11726	11.9
117.07042	1.9
119.08573	27.5
121.10151	14.0
123.11691	14.9
125.13228	3.7
128.66615	1.7
131.08521	3.5
133.10129	21.6
135.11679	35.5
137.13220	7.1
145.10123	4.6
147.11670	63.3
149.13255	18.5
151.14807	5.3
159.11668	6.7
161.13246	48.1
163.14793	8.5
165.16376	4.2
173.13257	3.5
174.61018	1.9
175.14825	21.9
177.16345	3.1
187.14813	3.6
189.16359	10.8
201.16376	7.9
203.17834	13.4
215.17982	12.9
217.19400	4.4
223.85919	2.0
229.19481	4.9
233.22635	1.8
243.21089	9.6
247.24199	2.8
257.22623	9.2
261.25793	5.3
275.27185	2.6
287.27310	4.7
299.27280	2.7
301.28641	3.3
315.30389	4.4
382.34360	2.0
397.38239	100.0
398.38553	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	396.1861
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	7.0
55.01844	3.7
56.05023	8.4
57.03434	4.0
57.66277	3.0
60.11414	3.2
61.02923	4.0
63.06751	3.4
66.35531	3.2
69.03427	18.9
70.06589	45.1
71.04979	4.9
71.52888	4.6
72.08146	17.8
74.06071	4.3
80.52022	3.4
81.03432	16.6
81.07070	5.7
82.06620	3.9
83.06093	4.6
84.04504	7.1
84.08152	31.0
85.02905	70.2
86.09698	30.3
88.03961	6.7
89.66409	3.8
91.05475	8.0
95.04945	4.5
95.08577	3.6
97.02888	32.5
99.04451	40.8
103.03242	4.5
103.03939	92.5
105.06953	4.8
107.08612	4.6
109.02895	16.8
110.07158	11.0
112.08773	4.4
117.05607	3.5
120.08080	16.5
127.03917	100.0
129.10210	13.0
135.08084	4.1
136.07570	9.6
137.05922	5.5
145.04953	56.8
163.06027	45.9
173.12875	6.3
187.06046	4.5
216.04373	3.6
231.11209	3.9
271.07986	9.3
307.10077	6.1
396.20242	4.2
415.63214	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	397.0734
Annotation	Unknow
Peak:m/z	Relative Intensity
53.33802	1.7
61.90051	1.5
62.92918	1.5
63.52134	1.6
70.72725	4.3
72.96526	1.6
75.96220	1.7
93.83820	1.6
99.38610	1.6
101.00907	2.0
103.00668	2.4
119.01884	4.5
121.01645	5.7
129.02109	1.5
131.01939	2.1
132.27617	1.9
133.01643	5.9
139.02657	3.5
143.01807	2.1
144.01903	1.8
145.01663	2.9
147.03210	4.6
155.01929	2.7
157.01582	2.8
161.02937	2.6
161.04720	4.7
162.03065	2.0
163.02650	4.9
165.04227	4.5
171.03262	1.7
173.02954	2.0
173.04745	2.8
175.02661	5.7
183.03174	1.8
185.04128	3.2
187.04430	1.9
189.04236	10.4
191.02107	4.5
194.26904	1.5
201.04199	3.6
217.01158	3.3
217.03108	1.7
219.02625	1.8
233.03374	4.1
277.02371	13.4
289.02252	10.8
294.03857	2.1
295.03363	7.0
307.03497	3.3
337.09891	8.7
343.21521	2.7
380.31540	1.6
397.07336	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.0669
Annotation	Unknow
Peak:m/z	Relative Intensity
50.07103	1.3
58.99846	3.7
62.26854	1.5
70.03902	3.2
70.04292	4.0
77.00924	1.8
80.49911	1.4
80.81576	1.8
82.99855	2.8
94.59958	1.6
98.21513	1.7
101.00872	29.8
103.02453	4.2
113.00838	11.4
117.03989	7.1
119.01916	72.0
120.01981	2.4
121.03522	2.1
127.02416	10.6
129.03989	3.0
131.01897	62.3
132.01964	2.1
133.03462	2.3
135.05028	6.2
137.02937	11.1
141.03984	4.2
143.01889	21.8
145.03455	77.1
146.03557	2.4
147.01445	2.3
147.05042	3.5
149.02950	9.0
153.03981	2.0
155.01886	13.3
157.03453	4.5
159.05019	25.7
161.01704	3.0
161.02950	35.6
163.04500	17.5
169.03447	45.1
169.11484	1.6
171.01389	6.3
171.05032	18.3
173.02945	29.2
173.06558	2.1
175.04471	1.8
179.04050	2.6
181.03429	9.9
185.02925	10.4
187.00945	2.8
187.04498	91.9
188.04742	2.8
189.02440	16.1
189.06084	5.9
191.04004	2.2
197.02972	2.5
199.04503	41.1
201.02449	4.2
203.03986	9.0
205.01981	1.9
207.03482	5.3
210.06099	2.7
213.02438	14.9
215.04005	2.6
217.05544	5.0
221.05121	4.4
222.06334	2.3
225.02406	10.6
229.05420	1.6
231.03468	26.0
233.01396	1.5
243.03477	13.2
245.05251	1.6
251.02696	1.7
257.01501	7.8
261.04514	3.2
269.01456	1.8
275.02448	100.0
276.02777	3.3
278.92343	1.6
287.02444	71.5
288.02731	4.3
289.07721	4.4
293.03510	39.6
294.03574	1.8
305.03479	24.2
311.04547	2.0
316.05258	3.2
317.03522	2.1
321.64505	1.8
323.04575	3.1
335.04593	5.9
359.04617	6.5
377.05725	9.5
395.06204	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	395.1311
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05021	0.8
56.77838	0.8
56.96556	8.5
58.06586	0.8
67.23383	0.7
69.03421	2.3
70.06573	2.1
70.98124	0.8
71.52217	1.1
72.08096	0.7
74.06036	0.7
81.03389	0.8
82.02922	1.8
84.08119	2.0
84.96018	1.3
85.02882	2.9
86.09676	1.1
97.02872	2.1
98.97566	5.8
99.04429	1.1
101.00846	1.1
107.04945	1.0
107.64018	0.8
110.97542	1.1
114.05515	11.0
116.98598	4.4
118.03521	0.7
119.01905	6.4
119.05006	0.8
120.08086	1.1
123.06575	0.8
124.05069	2.1
127.02423	0.8
127.03874	1.5
128.98619	1.8
129.10204	0.9
130.08636	1.3
131.01909	4.4
134.99619	3.0
136.07545	3.0
137.02960	1.5
141.15701	0.8
142.04958	1.0
143.01825	1.8
145.03435	6.1
146.99623	2.6
149.04582	11.7
155.03381	6.7
158.99643	1.9
159.05023	2.4
161.01364	0.9
161.02937	2.9
163.04488	1.5
166.07230	100.0
167.05609	1.6
169.03453	3.4
171.05032	1.8
173.02927	2.1
177.00658	1.7
185.02919	1.5
187.04521	8.1
189.02461	1.9
193.01691	1.1
199.04515	3.5
203.03873	0.9
205.03738	0.9
209.03131	0.8
211.02791	1.8
212.07582	1.0
213.02470	1.2
216.08836	1.6
219.01750	2.0
225.02515	1.0
230.06526	4.0
231.03500	3.1
235.14430	1.2
237.00761	1.1
237.02742	3.8
239.02226	3.5
255.01738	3.1
257.03467	1.9
273.02835	3.3
275.02393	7.0
287.02377	3.7
293.03546	3.5
353.11133	1.0
377.05908	1.3
377.12192	1.5
395.07843	1.7
395.13199	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	393.2396
Annotation	Unknow
Peak:m/z	Relative Intensity
51.45043	0.7
53.03950	0.7
55.05511	5.4
57.03431	6.3
57.07071	36.0
58.07381	0.7
64.78941	0.6
67.05183	0.9
67.05502	12.9
69.07063	7.2
69.40020	5.7
71.08623	24.0
78.41257	0.6
79.05482	1.6
81.06594	1.2
81.07047	18.3
83.08613	10.8
85.06512	0.7
85.10178	15.5
91.05489	0.8
93.07021	2.0
95.04996	0.8
95.08598	23.9
97.10159	5.0
98.20781	1.1
98.98456	65.4
99.11723	1.4
105.06992	1.4
109.10139	10.3
111.11717	1.4
115.90926	0.6
116.99480	1.4
119.08586	1.7
123.11686	4.1
125.13264	1.1
137.13222	3.4
151.14871	0.8
152.53423	0.6
155.01025	100.0
155.52837	0.8
157.10156	0.8
159.11732	0.7
173.02013	1.0
209.13208	0.6
221.22574	0.9
239.23676	8.1
297.95859	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.2782
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46715	1.9
53.03938	3.5
55.01863	2.3
55.05503	17.6
57.03419	6.8
57.07073	43.4
63.85426	1.8
65.03922	3.0
67.05175	2.9
67.05499	33.8
69.03410	2.2
69.07063	19.7
69.69357	4.5
69.69755	11.8
71.04992	1.8
71.08624	31.5
79.05067	2.6
79.05492	28.0
81.03395	1.8
81.06595	3.4
81.07050	53.6
83.08613	16.1
85.06516	3.1
85.10173	14.1
91.05476	35.0
93.06483	3.2
93.07038	45.7
95.04374	2.8
95.04964	41.7
95.08600	57.0
97.06504	5.9
97.10155	8.4
98.98461	72.2
99.08033	1.9
99.89142	1.8
103.05443	2.8
105.07020	60.5
106.07345	4.0
107.08591	27.9
109.06522	13.1
109.10152	26.2
115.05406	5.5
117.07001	9.9
119.08578	58.4
121.06495	13.8
121.10132	19.1
123.08043	2.4
123.11732	12.4
128.06207	6.8
129.06999	12.7
130.07756	3.1
131.08578	25.6
132.08965	2.3
133.10112	26.9
135.08081	2.4
135.11699	10.1
135.22906	1.7
137.13228	3.0
141.06967	6.5
142.07771	14.7
143.08577	22.7
144.09267	5.9
145.06464	3.9
145.10107	45.9
146.10498	3.6
147.07961	2.1
147.11687	15.4
149.09612	2.1
149.13240	1.8
153.06969	2.8
155.01033	100.0
155.08522	10.3
156.01337	3.4
156.09348	8.7
157.10126	35.0
158.10899	3.8
159.08047	5.3
159.11668	30.3
160.12100	1.9
161.09636	12.7
161.13222	5.3
163.11192	2.0
165.07065	3.2
167.08554	4.4
168.09401	2.7
169.10106	14.8
170.10947	3.9
171.11638	17.4
173.09601	2.0
173.13249	11.7
174.13696	2.4
175.11169	7.9
175.14845	9.4
179.08549	3.1
180.09351	2.5
181.10051	5.5
182.10925	2.5
182.69003	2.0
183.11629	10.5
184.12360	2.3
185.13257	7.8
187.11240	4.3
187.14777	7.3
192.09447	1.8
193.10147	4.6
194.10843	4.4
195.11662	6.8
196.12289	5.0
197.13174	9.8
199.11140	2.6
199.14740	4.1
201.16353	5.0
206.10890	2.7
207.11627	3.7
209.13196	6.5
211.14740	6.0
221.13261	3.1
223.14723	5.1
225.16341	2.3
235.14732	3.2
237.16162	3.4
239.23672	8.6
241.19713	2.1
265.19470	2.0
293.19003	2.3
375.26755	3.8
393.27753	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	391.2239
Annotation	Unknow
Peak:m/z	Relative Intensity
54.30514	2.0
55.01862	6.4
55.05508	23.4
57.03426	7.2
57.07063	11.4
66.79834	1.8
67.05498	17.1
67.62066	1.9
69.07064	31.6
71.08611	4.2
71.10674	4.8
73.93208	1.9
77.33408	2.0
79.05491	11.3
81.07047	18.7
82.56033	1.9
83.08607	28.0
85.10175	2.3
86.44083	1.7
93.07030	13.6
95.08605	14.3
97.06515	5.4
97.10162	16.7
98.42826	2.0
98.98457	74.0
100.17375	2.3
107.08575	9.2
109.10162	3.5
111.08073	3.0
111.11709	3.8
121.10119	15.6
123.11663	4.5
135.11662	10.5
137.13239	3.4
149.02342	12.2
149.13303	3.3
155.01027	100.0
180.58852	1.9
196.03716	2.0
219.21033	8.6
237.22096	27.6
273.25137	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	391.2625
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	8.4
55.05507	14.7
57.07062	6.2
57.64743	3.0
65.03923	4.2
67.05496	18.8
69.03406	5.0
69.07043	11.1
71.08638	3.7
79.05487	28.6
81.07047	46.4
83.04938	4.9
83.08585	4.6
85.06499	2.9
85.86153	2.2
91.05470	39.1
93.07040	35.9
95.04958	42.1
95.08588	20.5
97.06524	7.4
103.05447	3.7
105.07019	62.4
107.08572	23.2
109.06504	10.2
109.10116	10.2
115.05392	4.6
117.07002	16.1
119.08565	60.0
121.06468	13.1
121.10107	24.0
121.97692	2.9
123.08061	5.4
123.11652	3.3
128.06200	10.4
129.07013	13.3
130.07773	6.2
131.08545	27.0
133.10112	16.9
135.08040	7.6
141.06923	6.7
142.07750	19.3
143.08545	36.6
144.09279	8.0
145.09061	3.9
145.10112	48.4
147.08026	11.7
147.11652	10.1
149.02342	18.7
149.09581	4.7
153.06940	4.7
155.08546	14.2
156.09322	15.7
157.10117	38.5
158.10796	3.7
159.08052	10.4
159.11659	19.0
161.09560	9.3
161.13335	4.2
163.11209	4.3
165.06963	4.1
166.07755	6.3
167.08566	9.8
168.09293	7.2
169.10095	24.5
170.10864	4.8
171.07962	5.6
171.11674	20.7
173.09613	5.9
173.13235	17.7
175.11238	5.8
179.08528	11.6
180.09302	6.9
181.10114	17.0
182.10907	9.0
183.11673	21.6
184.12460	2.8
185.09607	6.2
185.13222	11.5
187.11230	4.1
187.14772	2.9
191.14288	7.3
192.09325	6.6
193.10068	16.6
194.10857	7.9
195.11681	17.2
196.12273	4.4
196.16478	2.5
197.09460	4.3
197.13216	17.5
199.11157	6.9
199.14766	6.4
201.12823	6.4
203.08604	3.4
203.14340	2.6
205.10150	6.2
206.10909	8.2
206.74190	2.9
207.11670	20.9
208.12372	7.6
209.09517	6.5
209.13324	19.6
210.10411	2.7
211.11130	6.0
211.14728	12.1
212.15581	2.9
213.12704	5.6
215.08649	4.2
215.10728	3.0
215.14394	3.1
217.10181	2.9
217.15747	4.0
219.11642	5.6
220.12361	7.9
221.13222	17.6
222.13950	5.0
223.11192	2.9
223.14819	12.9
225.12669	3.3
227.14290	5.5
231.11664	7.8
232.12361	5.5
233.13194	9.1
233.15390	6.3
234.14003	4.3
235.14755	10.3
237.12524	4.8
237.16403	5.5
239.14299	3.4
244.12411	4.5
245.13188	4.9
246.14020	4.0
247.14746	7.5
248.15433	3.0
249.12785	4.1
249.16306	9.3
251.14305	6.4
253.19431	3.7
258.14011	3.7
259.14838	6.2
261.16135	5.5
263.18069	5.3
264.18661	3.4
267.17462	3.5
273.16257	7.5
275.17838	4.6
279.17538	4.4
281.19113	3.7
282.19614	8.4
289.19162	3.1
291.17606	4.4
293.18970	5.6
295.20474	3.6
297.18472	8.9
299.17944	3.7
307.20450	4.3
317.18976	6.0
331.20578	3.4
335.19919	6.6
363.26624	3.0
373.25208	19.7
391.26208	100.0
391.35992	9.3
392.26630	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	391.2627
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	8.5
57.07059	6.4
62.96189	3.1
67.05499	18.7
69.07048	7.1
70.36549	13.0
71.08604	4.8
78.01006	2.8
79.05485	21.3
81.07041	35.2
83.08603	5.5
85.06515	5.3
91.05468	31.9
93.07040	41.0
95.04964	34.3
95.08591	13.2
97.06564	4.7
105.07021	51.4
107.08585	22.6
109.06509	7.7
109.10134	12.6
117.07011	11.1
119.08585	36.4
121.06484	11.2
121.10117	21.1
123.08033	3.3
128.06197	11.2
129.06963	12.1
130.07777	7.3
131.08556	16.5
133.06499	4.3
133.10092	15.9
135.08014	7.7
141.06947	6.7
142.07729	15.6
143.08594	20.8
145.10107	29.3
147.08043	7.3
147.11711	8.8
149.02315	24.4
149.09622	6.4
154.07764	3.4
155.08528	16.0
156.09338	11.9
157.10115	29.0
159.08032	7.0
159.11693	11.3
161.09601	12.6
165.07001	5.5
167.08574	8.2
169.10107	24.0
170.10831	4.8
171.11685	18.0
173.09605	4.2
173.13257	8.7
175.11189	3.8
179.08493	11.7
180.09296	4.2
181.10086	13.2
182.10777	6.0
183.11678	17.9
184.12416	3.1
185.09624	4.0
185.13248	10.6
187.11168	3.3
187.14882	4.7
192.09271	3.7
193.10094	9.3
194.10890	5.7
195.11702	19.0
197.13290	16.1
199.11174	8.0
205.10104	4.7
206.10947	8.0
207.11691	11.7
208.12430	8.7
209.13284	15.9
211.11227	4.2
211.14755	9.3
218.10916	3.8
219.11629	8.1
221.13260	11.1
222.13948	3.8
223.14812	10.8
225.12714	5.5
231.11699	4.1
232.12402	4.4
233.13135	8.9
234.14064	3.4
235.14838	6.3
237.12767	3.4
237.16368	5.2
239.18137	3.1
240.14917	3.2
241.16028	3.6
243.11574	4.8
245.13199	6.7
246.14032	5.3
247.14867	8.0
249.16426	10.0
251.14265	3.4
251.17902	3.9
261.16318	4.8
263.17920	7.2
269.18982	4.2
275.17850	4.7
282.19751	4.4
293.18945	3.9
295.20633	3.7
297.18307	4.0
305.18857	3.3
307.20474	6.2
317.18820	7.5
335.20038	4.3
345.25574	4.0
355.24084	4.0
373.25137	18.9
391.26331	100.0
392.26260	6.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	390.139
Annotation	Unknow
Peak:m/z	Relative Intensity
60.76673	1.2
64.58720	1.1
67.05497	1.3
69.03413	4.2
70.06574	5.0
71.52271	1.9
72.08147	4.6
77.75385	1.0
79.05466	1.6
81.03386	2.3
81.07050	1.5
84.04472	1.6
84.08122	4.6
85.02882	8.2
86.09676	3.6
91.05448	1.8
95.04968	1.9
97.02865	4.0
97.80079	1.4
98.96935	1.2
99.04462	1.4
103.05433	2.3
105.03395	1.3
107.08541	1.3
109.02886	3.1
111.70439	1.2
119.08628	1.5
120.08081	1.5
124.07578	11.8
127.03919	3.3
129.10210	1.8
133.02826	15.4
136.07584	2.4
142.08664	1.7
143.11708	1.6
146.09685	1.3
149.05890	2.3
150.03122	8.7
150.09113	5.6
161.02394	6.8
162.09090	2.3
165.05495	2.4
166.08679	2.3
167.07059	3.1
169.04956	7.5
169.55098	1.1
174.09090	3.7
178.02609	24.0
180.10143	1.3
192.10191	10.8
193.04955	100.0
194.05365	3.4
210.11253	17.5
211.05992	27.9
228.12263	20.4
330.13513	1.2
362.26926	1.3
371.20959	1.5
390.18411	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	390.1944
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96562	17.0
57.07058	4.3
67.05479	1.7
69.07045	1.8
71.04872	3.8
72.57980	1.6
99.00190	1.3
107.97407	1.5
128.98581	3.6
132.93806	1.7
133.16618	1.6
139.01530	1.7
146.99657	4.8
155.03767	2.4
165.00673	1.8
171.03276	2.5
175.10561	1.6
181.05313	1.8
181.31116	1.7
185.04744	2.0
189.04373	2.6
193.01694	3.2
197.04773	1.8
203.05902	4.2
205.07414	1.7
211.02686	2.1
213.07974	5.0
217.07364	2.8
223.08525	2.1
227.05527	1.8
229.07521	4.7
231.08969	6.9
237.04346	3.4
239.09525	2.4
243.08939	2.5
247.08557	3.5
249.95338	1.5
255.09033	3.2
261.10129	3.2
267.09027	3.6
298.10605	2.0
311.07916	3.3
331.15765	24.2
332.15997	3.2
349.16840	100.0
350.17163	3.1
367.14142	13.9
367.17969	17.2
372.18491	3.8
385.15213	9.5
390.19812	7.9
390.23871	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.2167
Annotation	Debiloside B
Peak:m/z	Relative Intensity
59.03247	9.3
62.36618	10.0
67.05479	14.2
69.03425	21.2
69.07072	17.8
70.06583	13.6
71.04987	15.8
79.05495	23.2
81.07040	34.2
83.04996	13.4
83.08619	15.3
85.02905	11.9
85.06539	11.6
93.07027	23.6
95.08564	22.8
99.04446	23.1
99.90476	11.6
107.08585	63.4
109.10161	24.5
111.08051	15.2
121.10146	22.0
123.08071	11.9
125.09628	35.7
129.54099	9.1
135.08052	15.8
135.11668	10.3
137.09592	9.7
163.11200	14.0
163.14917	11.3
173.13188	20.3
191.14282	35.8
201.77469	10.1
205.26556	8.9
209.15344	36.3
219.65051	9.1
227.12880	11.7
227.16415	100.0
308.55197	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	390.139
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03917	1.8
57.03411	1.2
69.03437	1.6
69.07039	1.7
70.06596	6.6
70.06898	1.2
70.84082	1.5
70.84432	2.2
72.08131	3.9
79.05478	1.2
81.03398	1.9
84.04494	2.2
84.08138	5.2
85.02898	8.0
86.09686	5.7
91.05458	1.1
92.88004	1.0
95.01302	3.0
95.04937	4.8
104.05303	1.1
105.03380	100.0
105.07008	1.8
106.03664	2.3
109.02818	1.3
110.07124	1.6
113.02352	2.0
120.08091	3.0
121.10158	1.5
123.04408	3.4
124.07544	1.1
127.03905	1.3
129.10201	2.4
137.05901	1.5
141.01811	5.0
141.02817	0.9
161.05914	2.1
179.07005	30.5
192.30138	1.1
193.08606	1.5
197.08072	32.2
198.08430	1.6
272.00067	1.1
340.96210	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1777
Annotation	Unknow
Peak:m/z	Relative Intensity
55.32588	0.5
56.96566	0.8
69.92116	1.2
69.92523	2.2
70.06599	1.6
72.08187	0.8
81.07061	0.5
84.04475	0.5
84.08158	1.6
85.02895	0.7
86.09695	2.9
93.07003	0.7
96.67934	0.5
98.20850	0.7
98.97588	1.0
99.74968	0.5
105.03416	1.9
109.10183	0.7
110.07177	0.6
116.98605	0.7
124.07573	2.8
145.01784	1.0
162.07715	0.7
163.02827	0.8
182.08276	0.6
203.05392	2.1
209.11508	3.8
227.12518	4.1
245.10510	0.7
269.10486	2.8
389.17981	100.0
390.18311	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	389.1803
Annotation	Tuberonic acid glucoside
Peak:m/z	Relative Intensity
53.03928	5.8
55.01654	1.7
55.01870	12.7
55.05502	7.2
57.03425	4.7
61.02917	1.6
65.03923	2.9
67.05492	9.1
69.03419	18.5
69.07064	16.9
70.05661	5.7
70.06081	2.8
70.06574	3.0
71.04982	9.7
79.05486	16.9
81.03413	30.3
81.07047	29.7
83.04970	4.9
84.08110	1.8
85.02898	9.4
85.06541	7.3
85.54050	1.6
86.09697	3.2
91.05463	12.2
93.06482	3.1
93.07040	39.7
95.04945	6.3
95.08598	17.4
97.02870	5.2
97.06533	13.1
98.21466	2.2
99.04446	14.2
100.11242	6.7
103.05447	1.9
105.07027	28.1
107.04940	2.9
107.08588	48.2
109.02876	20.6
109.06524	14.7
109.10155	4.5
111.04427	2.1
111.08064	7.3
113.05997	5.2
117.07002	3.4
119.04909	1.9
119.08607	9.7
121.06500	15.7
121.10134	32.0
123.08062	8.3
125.09646	1.9
127.03893	15.5
127.07529	5.5
130.07803	1.8
131.08488	2.9
133.06561	2.1
133.10149	1.8
135.08022	7.0
135.11684	11.3
137.05952	7.4
137.09566	1.9
138.06313	4.8
139.07555	1.9
139.11139	4.5
144.46626	1.8
145.06538	1.7
145.10107	28.6
147.08109	1.6
147.11688	6.3
149.05992	2.1
149.09569	16.8
151.03835	1.7
151.07524	10.3
163.11169	67.9
167.07024	5.5
167.10660	30.2
169.08594	100.0
170.08862	2.4
173.09621	5.9
177.05443	2.3
181.04991	4.9
181.12236	20.9
182.15388	4.8
185.11700	7.1
191.10655	37.0
209.11725	20.0
209.66524	2.1
210.14902	4.1
227.12759	49.4
227.17537	1.9
228.13283	2.2
285.83160	1.8
309.16797	2.1
317.74924	2.7
353.16016	10.8
371.16956	8.1
389.15250	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1779
Annotation	Asn Gln Gln
Peak:m/z	Relative Intensity
51.39436	0.3
52.65816	0.3
55.05481	0.5
56.05022	0.6
70.06598	2.2
70.76918	0.9
70.77303	0.7
72.08154	3.1
84.04514	0.6
84.08125	2.0
85.02933	0.4
86.09226	0.5
86.09707	6.0
91.05480	0.5
95.04949	0.5
102.05547	0.5
103.05494	0.4
105.03368	0.7
110.07191	0.5
120.08083	0.5
124.07528	0.5
129.10255	1.1
130.04985	0.5
141.10284	0.6
143.11819	0.5
144.06572	0.4
151.02150	0.4
173.12852	1.0
189.12376	0.5
200.13939	0.9
203.05524	0.4
209.11504	0.5
209.56590	0.4
227.12614	3.1
228.12355	0.5
233.15007	0.5
270.18109	0.5
389.17813	100.0
390.18182	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	389.0841
Annotation	(S)-(+)-Chelonin B
Peak:m/z	Relative Intensity
50.25514	1.6
68.87350	1.3
69.25632	10.0
69.26051	4.3
84.04478	1.6
86.09689	2.0
111.58147	1.2
139.00775	1.2
142.06761	1.2
162.56400	1.2
217.01347	1.6
220.51341	1.6
227.03188	4.8
238.51784	1.7
244.06816	1.3
277.17520	1.4
354.67517	1.3
389.08408	100.0
389.17538	4.0
390.08414	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	389.1572
Annotation	Unknow
Peak:m/z	Relative Intensity
54.73550	0.5
56.96558	1.2
57.98295	0.5
61.46973	0.5
66.68552	0.5
67.49015	0.5
69.03450	0.7
69.28915	2.9
69.29343	2.3
70.06586	1.8
72.08154	1.3
72.83669	0.5
84.08134	2.1
85.02897	0.8
86.09706	3.2
91.05495	1.5
95.04968	0.8
96.08151	0.8
97.02911	0.9
98.97598	1.5
103.05452	0.7
105.03412	2.1
110.07175	0.6
116.98653	0.5
124.07565	2.5
145.01730	1.2
151.97560	0.5
158.99725	0.7
163.02817	1.8
179.07185	0.8
184.41832	0.6
203.05281	2.5
203.07202	0.5
209.11526	4.0
218.53371	0.5
227.09256	0.7
227.12537	3.3
269.10635	3.3
274.66614	0.6
389.17963	100.0
390.18555	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	388.3054
Annotation	Unknow
Peak:m/z	Relative Intensity
53.31020	14.2
54.26983	14.5
67.23524	15.0
69.78587	100.0
76.82072	18.3
93.06960	17.0
98.21483	20.1
122.96684	15.8
386.79581	16.9
388.21674	25.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.2525
Annotation	Atranone D
Peak:m/z	Relative Intensity
50.01017	1.1
51.02378	1.5
51.57856	1.0
52.33245	0.8
52.96425	0.8
53.03933	3.4
53.37481	0.9
55.01871	8.8
55.05506	18.0
57.03419	3.4
57.07052	2.5
58.26706	0.8
65.03940	2.4
67.05500	28.0
69.03426	7.3
69.07059	14.1
71.01331	1.1
71.04977	3.9
77.03918	1.0
79.05487	26.5
81.03410	19.8
81.07045	32.0
83.04968	6.3
83.08602	7.5
85.02908	4.4
85.06529	1.1
87.04462	1.6
89.76933	1.1
91.05469	32.8
93.07036	26.4
94.07857	1.2
95.01327	2.8
95.04948	10.8
95.08599	21.1
96.08961	1.0
97.02871	7.2
97.06499	3.5
97.10157	4.3
99.04454	1.8
103.05460	3.3
104.05005	3.2
105.05819	7.7
105.07012	30.1
106.06559	1.9
107.04945	7.7
107.08582	17.5
109.02879	2.9
109.06494	4.7
109.10146	9.1
111.04422	6.2
111.08051	1.3
115.05463	5.2
117.06997	24.1
118.06520	1.5
119.03644	2.4
119.04919	1.5
119.08556	23.7
119.09366	1.6
120.04438	4.3
121.06450	6.1
121.10133	11.9
123.04417	8.9
123.08036	2.6
123.11686	3.2
125.09637	1.9
127.07422	1.0
128.06223	9.3
129.06995	22.0
130.07780	1.9
131.04887	3.2
131.08551	29.7
132.04440	6.4
132.59544	1.0
133.05223	11.3
133.06471	9.2
133.07391	1.8
133.10110	15.9
134.05969	3.7
135.04398	1.6
135.08044	6.2
135.11653	6.1
137.05974	4.4
137.09698	1.2
139.11133	1.5
141.07011	6.5
142.07759	5.7
143.08543	20.0
144.09334	1.9
145.06499	7.5
145.10109	21.4
146.06013	1.5
147.04390	1.7
147.08029	8.1
147.11656	11.3
149.04703	14.5
149.05914	3.0
149.09590	2.6
149.13232	3.3
151.07515	3.5
153.07001	2.5
154.07735	1.7
155.08539	13.5
156.09309	2.0
157.06462	8.2
157.10104	18.0
159.08044	7.7
159.11681	16.4
160.08846	1.1
161.05968	4.7
161.09576	5.8
161.13257	4.3
162.05495	6.0
162.06650	1.1
163.06262	31.9
163.07474	1.6
163.11153	2.0
164.07034	13.8
165.06931	2.6
166.07756	2.4
167.08546	5.0
168.09256	2.0
169.06450	1.5
169.10098	11.9
170.10934	1.0
171.08041	9.6
171.11668	13.3
173.05960	3.0
173.09634	5.6
173.13257	11.5
175.07545	6.2
175.11217	4.5
175.14793	2.4
177.05545	1.0
177.09152	1.8
177.12749	1.3
179.08533	2.4
180.09375	1.9
181.10043	4.9
182.10916	1.4
183.08055	6.6
183.11667	6.7
184.08806	1.8
185.09656	7.0
185.13193	10.7
187.07558	3.4
187.11130	5.4
187.14812	3.6
189.09058	3.3
189.12727	3.6
191.10719	2.0
193.10188	1.3
194.08069	14.7
195.08093	1.0
195.11678	5.4
197.09683	5.5
197.13271	7.1
198.10153	1.6
199.11177	4.4
199.14781	5.5
201.09007	1.8
201.12711	4.9
201.16435	1.7
203.10547	2.1
204.11247	1.2
205.12090	1.9
207.11685	2.0
209.13232	4.0
211.11122	2.9
211.14801	5.3
213.12793	6.1
213.16264	1.6
215.10594	2.7
215.14259	3.9
217.12238	2.2
221.15198	1.1
223.14804	3.4
225.12785	3.6
225.16420	1.2
227.14261	5.2
229.12294	2.1
229.15849	1.5
231.13763	2.9
233.15366	1.4
239.14290	3.5
241.15858	2.4
243.13869	2.1
243.17450	1.5
245.15300	1.8
253.15935	2.0
255.17413	1.1
255.21199	1.3
257.15488	1.2
257.18985	1.1
259.20624	1.7
268.57089	1.0
271.20471	1.3
277.21649	4.6
283.20493	2.4
285.22296	1.3
287.19946	1.3
289.21597	4.0
291.16000	1.1
291.23138	1.1
296.05734	4.8
297.22159	2.7
299.20212	1.6
299.23672	2.6
301.21664	3.1
303.23077	2.7
309.22040	2.4
311.20035	1.8
313.21594	4.1
313.24884	1.6
315.23163	2.4
323.23883	5.1
325.21628	1.5
327.23068	7.1
331.22672	1.5
333.22113	3.6
341.24683	10.5
343.22534	1.7
345.24011	2.0
351.23184	15.7
359.25720	3.9
369.24197	72.7
370.24561	4.3
387.25259	100.0
388.25620	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	387.201
Annotation	(6R)-9,10-Dihydroxy-4,7-megastigmadien-3-one-9-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
53.03950	9.0
54.41180	8.2
55.05499	18.0
57.03435	8.9
66.22089	8.5
67.02460	7.5
67.05478	16.3
69.03413	18.8
70.06582	36.0
71.05003	8.8
72.08138	27.5
79.05501	25.3
81.07044	29.8
84.08115	12.5
85.02877	11.0
86.09703	75.3
91.05466	17.1
93.07044	18.5
95.04951	16.6
95.08613	19.2
103.05460	12.3
105.07021	35.9
107.04928	12.4
107.08602	8.8
109.06438	11.5
111.08044	9.7
119.08569	23.6
121.10117	23.7
123.04407	16.3
123.08060	12.0
125.53018	8.1
129.10298	13.6
133.10107	55.6
134.10416	8.5
137.05948	61.2
137.09601	28.8
145.06587	9.5
145.10124	9.8
147.11694	15.2
149.09624	12.1
151.03854	10.8
161.13272	9.7
167.07007	33.9
171.11649	21.7
174.10402	12.5
181.04912	10.8
182.27138	8.5
185.13022	8.5
189.12744	39.2
201.05504	10.9
203.07036	12.2
207.13765	100.0
225.14835	37.9
243.95094	9.5
279.98761	8.5
369.13144	12.4
387.14343	34.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.201
Annotation	(6R)-9,10-Dihydroxy-4,7-megastigmadien-3-one-9-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
64.53261	13.9
68.65204	13.0
69.03424	31.3
69.07074	29.5
71.04996	27.8
71.10421	25.4
71.10748	15.0
79.05495	22.4
79.05933	14.9
81.07044	43.5
85.02917	20.3
86.09705	31.1
93.07032	16.9
94.06578	16.1
95.08601	26.7
97.02915	22.4
103.05414	14.9
105.07025	29.7
107.08588	35.4
107.94105	13.3
109.06506	34.1
109.10124	22.0
109.93246	13.0
112.92516	13.2
119.08560	44.5
120.98034	14.9
121.06519	15.8
123.04496	16.1
133.10161	41.2
137.05998	29.0
137.09610	29.4
142.69690	14.1
147.11624	18.0
149.09669	22.5
151.07542	20.4
161.13266	16.3
167.07066	47.3
174.10394	19.0
189.12718	52.1
191.14296	23.6
207.13783	92.8
223.09163	18.1
225.14815	100.0
233.91248	19.1
247.12251	14.0
387.14355	16.2
391.70413	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	387.2011
Annotation	(6R)-9,10-Dihydroxy-4,7-megastigmadien-3-one-9-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
52.39848	1.3
53.03935	1.3
55.01862	2.0
65.03936	1.9
67.05503	1.8
69.03406	2.9
69.47337	10.3
70.06587	5.9
79.05474	3.0
81.03411	2.2
81.07063	2.4
84.08132	2.8
85.02892	4.6
86.09690	5.1
87.04450	1.4
91.05498	2.4
93.07027	2.6
94.04197	3.0
95.04948	3.3
95.08598	1.9
97.02889	2.1
103.05467	2.3
105.07018	3.7
107.04938	3.9
107.08546	3.4
109.06516	3.2
115.05438	2.5
117.07002	4.5
119.08596	2.6
121.10155	2.8
122.03622	6.7
123.04348	1.7
131.04927	2.9
133.06445	1.7
137.05966	100.0
138.06293	2.6
140.37549	1.3
143.04871	2.9
145.06458	4.0
147.11636	1.7
151.03914	8.6
151.07510	3.5
151.11191	6.0
151.85626	1.4
163.07489	2.9
163.11172	2.9
167.07011	14.1
173.05956	3.8
181.04961	26.6
181.06528	1.9
181.08475	1.2
191.07028	11.9
203.06906	2.9
205.08568	3.5
207.13815	13.0
212.90843	1.5
225.14842	4.0
235.09726	2.4
357.13229	12.5
369.13290	1.9
387.14368	31.5
388.14426	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	387.1434
Annotation	(-)-(3S,4R,6S)-3-(3',4'-Methylenedioxy-alpha-hydroxybenzyl)-4-(3'',4''-dimethoxybenzyl)butyrolactone
Peak:m/z	Relative Intensity
53.03948	0.5
55.01867	0.6
65.03934	1.8
66.04697	0.8
67.05487	1.2
68.05008	0.7
69.03416	0.8
69.07030	0.5
70.06584	0.9
70.71716	0.6
70.72073	0.6
72.08141	0.4
78.04705	0.6
79.05471	2.2
81.03381	0.4
81.07042	1.5
82.04202	0.6
83.04933	0.4
84.04504	2.0
84.08140	0.6
85.02876	1.3
86.09710	0.5
91.05466	2.6
93.07021	0.7
94.04172	3.3
95.04957	1.1
96.04517	0.4
97.03021	0.3
97.06525	0.5
103.05457	2.2
105.03378	0.8
105.07011	1.5
107.04935	1.7
107.08636	0.5
108.02106	0.5
109.06513	1.1
109.10098	0.4
110.03636	0.8
111.04436	0.7
114.05517	0.4
115.05456	1.9
117.07037	2.3
119.04927	0.9
119.08571	0.6
121.06487	0.7
122.03642	9.2
123.04395	1.4
124.05204	0.6
125.05983	0.6
131.04922	2.8
131.07265	0.4
133.06442	0.8
133.10129	0.3
134.05991	1.0
135.06805	0.7
137.05963	100.0
138.03116	0.4
138.06299	1.8
142.02602	0.9
142.21542	0.4
143.04912	2.9
145.06512	2.9
146.03590	0.6
147.04414	0.7
147.07965	0.5
148.05174	1.5
151.02747	0.6
151.03893	7.3
151.04965	0.6
152.04640	0.4
155.06065	0.8
157.06487	0.5
161.05991	1.2
163.07553	2.1
165.09050	0.6
167.07018	14.3
171.06491	1.4
173.05995	3.2
174.09085	0.9
175.07536	1.3
176.04703	0.5
177.05388	0.4
179.08134	1.0
181.04930	23.8
182.05273	0.8
186.09105	1.0
189.09126	0.4
191.06987	6.5
193.08513	0.5
195.06541	0.8
201.37831	0.3
203.07042	1.9
205.06664	0.6
205.08566	2.1
207.07683	1.4
219.08144	0.4
221.07976	0.4
233.08105	1.5
234.06822	0.6
235.09540	2.2
247.07480	0.4
248.08168	0.4
251.06956	0.4
256.46857	0.4
267.10062	0.5
277.08554	0.6
279.06659	0.4
279.10065	0.4
297.11249	0.5
299.08884	0.5
305.07999	0.8
307.09662	0.7
308.79709	0.4
325.10928	0.4
337.10617	1.4
339.12381	0.4
341.13870	0.5
342.14444	9.0
351.12164	1.6
355.11438	0.7
357.13257	11.5
358.13501	0.6
369.13251	1.2
387.14304	24.7
388.14954	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	387.201
Annotation	(6R)-9,10-Dihydroxy-4,7-megastigmadien-3-one-9-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
52.95362	0.8
53.03942	1.1
55.01853	1.0
55.05497	0.9
57.03426	2.0
59.62468	0.8
61.02925	9.2
62.99264	0.8
63.52654	0.8
67.05503	1.3
69.03418	10.4
69.07040	1.7
70.06578	1.8
70.70975	2.1
71.04986	5.1
72.08134	1.7
73.02905	1.7
79.05491	1.5
81.03414	4.9
81.07031	3.5
83.04964	1.2
84.08131	4.8
85.02901	25.7
86.09711	7.5
87.04442	2.4
91.03911	1.1
91.05470	2.1
93.07019	3.4
95.08595	2.9
96.74446	1.0
97.02889	8.7
97.06518	1.0
97.78033	0.8
99.04454	1.8
105.07021	6.0
107.08579	4.2
109.02866	2.2
109.06519	5.9
109.10129	1.3
111.08057	1.0
115.07547	3.4
119.08604	5.3
121.06495	1.0
121.10117	3.3
123.08052	2.8
123.11675	1.1
127.03908	5.9
129.10211	3.8
133.10097	2.5
137.09625	6.3
143.08557	1.1
145.04932	6.0
145.10051	1.2
147.07994	2.5
147.11694	8.4
149.09605	5.4
151.07558	1.9
151.11180	3.8
157.13345	1.7
161.09593	2.4
161.13272	2.0
165.12727	8.1
171.11757	1.5
174.10356	2.2
177.12761	2.3
177.64778	0.9
189.12796	5.7
203.13904	1.6
207.13766	5.3
225.14836	100.0
226.15051	2.2
387.30191	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.201
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	6.0
55.01864	5.1
55.02162	2.9
55.05499	6.9
57.03435	3.7
67.05489	7.1
69.03434	24.7
69.07060	9.3
70.06582	8.5
71.28923	4.4
71.29253	4.9
72.08141	20.1
75.26359	3.3
79.05499	9.0
81.03446	4.0
81.07043	9.2
84.08131	7.5
85.02917	17.2
86.09713	40.9
87.04446	3.7
91.05470	10.9
93.07051	10.3
95.04959	13.1
95.08608	7.8
97.02925	4.9
98.05618	4.1
99.04459	4.9
103.05453	6.3
105.03387	100.0
105.07027	12.7
107.04928	5.2
107.08559	7.5
109.02844	3.4
115.05465	5.7
119.08595	7.6
120.08086	8.2
121.06495	4.5
121.10138	6.2
123.04414	12.7
129.10173	6.1
133.06554	6.8
133.10126	13.5
135.08038	4.3
135.11676	4.6
137.05962	15.3
137.09613	9.9
139.11188	7.7
145.10100	3.9
147.04375	3.7
147.11685	11.3
149.06020	4.5
149.09592	5.2
151.07549	6.8
151.11157	9.3
151.19489	3.2
153.05527	3.4
159.11662	4.5
161.06056	5.6
161.13255	7.8
162.13506	3.3
163.07530	4.0
165.05377	3.6
167.07039	23.8
171.11681	5.2
179.07042	25.5
181.04964	8.4
189.12770	15.4
191.06966	4.0
197.08084	6.8
206.07683	3.6
207.13803	48.9
218.01102	3.7
225.14841	30.4
265.08215	4.3
316.09293	4.0
355.11755	6.4
387.14673	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	385.2582
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	22.5
55.05262	7.5
55.05509	80.7
57.03427	19.3
65.03935	6.8
67.05503	58.8
69.03424	10.8
69.07061	28.8
70.06594	6.1
70.95206	8.3
70.95577	8.9
71.04985	11.6
71.08627	19.0
79.05490	62.7
81.03410	12.1
81.07048	62.1
83.04974	28.7
83.08603	48.4
85.02912	9.6
85.06580	4.3
86.09726	5.3
87.57386	4.8
91.05482	45.8
92.83360	4.2
93.07038	58.1
95.04965	95.5
95.08606	32.3
97.06546	11.6
97.10165	43.4
99.04439	11.0
99.08073	16.9
105.07038	24.9
107.04927	9.7
107.08586	56.0
109.06525	15.1
109.10150	24.3
111.04426	31.1
111.08064	17.4
117.07038	11.5
119.08583	27.1
121.06506	9.6
121.10144	22.9
123.08060	7.8
125.09632	47.7
129.06993	5.2
131.08582	20.2
133.10146	11.9
135.08064	13.5
135.11687	15.9
137.09599	5.3
145.10098	19.5
147.08038	5.9
147.11691	12.4
149.02362	22.5
149.09621	43.4
149.13292	5.6
151.11197	10.2
153.09090	6.8
153.12717	8.4
155.10722	5.3
159.11676	12.7
161.09584	5.9
161.13231	5.9
163.11176	42.2
165.12799	4.9
173.09512	5.1
173.11804	8.4
177.12737	10.3
181.12250	9.5
187.11159	5.8
189.11203	56.0
191.10658	7.9
193.04994	20.2
193.12250	9.7
195.13838	6.8
205.12273	6.5
214.43280	4.8
223.13283	61.5
227.12868	14.2
229.14462	5.7
245.04648	6.4
257.19000	13.2
260.10742	4.4
275.20029	87.6
293.21115	100.0
301.58356	4.4
349.23773	5.3
367.24939	39.3
385.09073	20.5
385.13336	6.8
385.19559	4.8
385.25732	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	386.2895
Annotation	Unknow
Peak:m/z	Relative Intensity
55.46085	19.3
67.05488	22.0
67.78720	19.2
68.12064	21.2
70.17290	100.0
71.76796	19.5
108.63054	21.9
122.16268	22.2
130.53044	21.7
134.79411	21.9
346.07471	21.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1437
Annotation	Magnolone
Peak:m/z	Relative Intensity
53.03926	0.6
53.75069	0.3
55.01865	0.8
65.03928	1.7
66.04696	0.5
67.05492	0.7
69.03416	0.6
69.07031	0.4
70.06557	0.9
70.12613	1.4
70.54403	0.4
72.08130	0.5
78.04675	0.6
79.05476	1.6
81.03419	0.8
81.07039	1.4
82.04187	0.4
84.08144	1.0
85.02874	1.0
86.09689	0.9
91.05482	2.6
93.03413	0.5
93.07014	0.8
94.04179	3.3
95.04943	1.4
95.08575	0.9
97.06525	0.7
100.62244	0.4
103.05482	1.9
105.07037	0.7
106.04194	0.4
106.84460	0.4
107.04974	1.9
107.08581	0.7
108.02071	0.5
109.06477	0.9
109.10227	0.5
110.03663	0.9
111.04395	0.5
115.05457	2.1
117.07011	1.9
119.04926	0.7
119.08583	0.8
121.06482	0.7
122.03648	7.3
123.04418	0.7
124.05213	0.4
125.05977	0.6
129.10185	0.4
131.04921	1.6
133.06471	0.9
135.04385	0.5
137.05966	100.0
138.06279	1.9
143.04909	2.7
145.06470	2.7
147.04509	0.5
148.05193	0.8
149.06020	0.6
151.03900	7.1
151.04979	0.7
151.07582	1.1
153.05469	0.8
155.06026	0.9
161.06010	1.0
163.07553	1.6
165.05426	0.7
167.07024	14.2
171.04401	0.6
171.06538	1.2
173.06006	2.5
175.07588	0.9
177.05470	0.7
179.07062	0.6
181.04947	20.0
182.05275	0.5
187.07553	0.8
190.06226	0.5
191.07001	4.3
191.08582	0.7
195.06514	0.7
196.29405	0.4
203.06956	2.0
205.06439	0.5
205.08490	2.2
207.06427	0.6
219.08049	0.4
231.08218	0.6
233.06032	0.4
233.08167	1.1
235.07611	0.5
235.09717	1.5
247.07538	0.6
249.08963	0.4
263.82999	0.4
265.08475	0.4
277.08585	1.0
291.10089	1.0
295.09570	0.6
297.10931	0.4
299.09201	0.4
305.08002	0.7
307.09579	0.7
309.11197	0.5
319.09384	0.5
325.10764	0.5
327.12347	0.7
337.10770	1.4
339.12402	0.4
351.12262	1.3
355.11908	0.9
357.08963	0.7
357.13306	11.0
357.17578	0.8
358.13547	0.5
369.13229	1.6
387.14386	25.9
388.14539	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1128
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01849	14.2
57.03427	14.2
67.05492	11.1
69.03409	27.2
69.84047	42.2
69.84457	15.4
70.06589	61.7
72.08144	12.6
78.63390	8.9
79.05478	14.2
81.03408	26.4
84.04498	13.5
84.08129	27.1
85.02889	89.6
86.09689	29.4
87.00834	12.4
91.05456	46.6
93.07046	14.8
95.04942	17.4
97.02871	22.1
103.03963	11.7
103.05464	11.5
105.03364	18.2
105.07014	41.8
110.07182	12.8
115.05467	20.7
117.06993	12.7
119.04925	35.7
119.08528	14.9
121.06484	11.4
123.04442	17.3
127.03915	11.8
128.06183	18.2
129.01813	12.3
129.07013	51.0
131.04955	19.1
133.06456	37.1
137.05998	78.9
143.04877	14.6
145.06467	21.3
147.04384	46.7
147.08087	10.2
149.05936	43.5
150.05525	11.0
151.03888	10.9
151.07573	58.4
151.11186	10.7
153.06969	15.6
157.06479	40.2
161.05969	100.0
165.05492	98.2
166.08661	48.7
167.07025	27.0
171.02896	11.1
171.07980	12.0
173.05956	35.7
175.07527	40.7
177.05470	18.9
179.07016	52.2
181.04994	11.8
181.06491	21.6
185.05963	27.6
187.07628	16.4
189.03897	27.9
189.05481	21.6
191.06966	29.7
199.07581	16.0
201.05423	51.5
203.07040	99.6
205.12253	14.3
207.06514	38.3
210.07497	12.1
217.08684	16.6
221.08098	41.8
223.05840	19.3
223.09436	25.0
223.13335	21.8
227.07014	16.3
233.08040	27.3
245.08102	71.5
263.09082	34.0
281.10242	23.1
327.84219	9.8
331.08667	10.3
367.10071	14.5
385.10883	28.2
385.15060	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	384.186
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	6.7
55.05481	4.3
56.05010	4.6
57.03419	5.3
58.92099	3.8
60.04507	5.2
69.03413	16.5
70.06580	33.4
71.04993	5.6
71.52851	6.3
72.08145	15.0
76.78966	3.8
81.03397	17.1
81.07040	6.6
84.04491	8.9
84.08143	29.3
85.02900	69.1
86.09702	25.7
89.22409	3.9
91.05481	5.3
95.04945	5.3
97.02878	19.5
99.04442	35.5
103.03929	89.3
105.03384	7.9
108.04451	4.2
109.02855	12.7
110.07146	18.4
112.08698	4.8
120.08113	7.7
127.03899	100.0
129.10208	11.1
136.07529	11.5
137.05975	7.6
145.04939	52.2
156.07652	7.4
162.24670	3.5
162.57129	3.8
162.86575	3.6
163.05991	46.1
166.08623	15.6
167.07047	10.0
179.03372	5.8
201.05473	41.3
208.03621	7.0
210.07593	3.9
222.07587	4.2
223.05984	55.5
223.13310	4.1
224.60768	4.0
243.08357	8.7
246.96761	4.5
254.36626	3.9
259.08051	4.2
271.08221	5.2
303.86374	4.4
307.10120	10.9
367.76962	4.2
384.15393	5.4
395.16803	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	384.2223
Annotation	Unknow
Peak:m/z	Relative Intensity
53.23140	2.0
56.05014	2.5
57.20051	2.1
67.05491	2.1
69.03420	7.4
69.07050	8.3
70.06575	8.8
70.12153	2.1
71.04977	13.9
71.29398	4.3
72.08145	2.9
79.05473	6.6
81.07052	45.4
84.08135	10.9
85.02901	18.7
86.09676	4.2
93.06968	2.3
95.08582	2.8
97.02881	4.8
97.06539	2.7
99.04453	2.4
99.08051	3.0
103.03933	3.7
105.03417	4.9
105.06998	2.2
107.08574	9.2
109.02912	2.8
109.06476	2.7
109.10135	8.1
110.07175	6.1
111.11714	5.0
120.02126	2.3
120.08108	5.0
123.11665	14.9
127.03920	7.5
136.07578	3.1
139.11180	6.4
145.04929	4.4
151.11148	21.4
156.07652	3.5
157.12241	13.2
163.05969	2.8
166.08636	18.9
169.12227	25.8
187.13274	100.0
191.77611	2.6
201.05457	15.8
205.14380	5.9
210.07619	7.1
218.07921	2.6
242.08162	3.4
243.08475	5.1
284.50195	2.2
340.14059	3.5
349.18570	2.4
374.57635	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	385.0311
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96558	7.5
59.06155	0.8
71.01362	0.8
71.07809	0.9
71.08137	1.2
98.97573	37.4
101.00829	0.8
105.33517	0.8
116.98615	40.8
118.98178	0.8
119.01891	8.0
134.99651	36.1
137.02925	3.2
139.95418	0.8
140.00179	1.5
153.00694	6.6
158.01219	1.8
177.00931	18.2
178.01074	2.2
179.00742	1.5
192.98750	1.1
214.98262	0.9
217.04050	4.2
219.01987	29.9
220.02063	4.3
221.01753	2.7
225.00987	2.5
234.99947	3.5
235.99959	0.9
236.99715	3.5
240.98763	1.8
242.98393	1.4
243.01976	5.9
253.00752	0.9
256.00894	1.0
258.99811	16.2
259.99969	7.3
260.99716	22.2
261.03043	100.0
262.00247	1.6
262.03226	6.9
263.02887	2.3
275.98206	1.2
277.00836	33.3
278.01019	10.3
279.00659	39.5
280.00940	2.7
281.00815	0.9
282.01309	1.2
283.00024	4.9
284.00113	2.4
284.04651	5.0
284.99789	17.6
285.99802	4.5
286.96829	1.2
300.02325	1.5
301.00882	10.4
302.01233	6.8
303.00812	36.4
304.00925	8.8
305.00790	1.0
318.00671	1.1
318.98560	1.1
321.01828	2.6
326.02219	1.4
329.65601	1.1
343.02432	4.5
350.32010	0.9
361.01443	9.9
366.97812	1.1
367.02136	2.5
376.31665	1.2
379.02536	5.1
385.03317	15.2
403.00256	6.3
403.04175	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	383.2578
Annotation	C25-Epoxy-apo-aldehyde
Peak:m/z	Relative Intensity
50.01556	5.6
55.05502	16.3
57.03440	5.5
57.07064	8.4
59.04991	8.6
66.77873	5.4
67.05502	33.3
69.03432	14.4
69.07066	8.1
69.08998	6.3
70.03185	21.2
70.03604	7.3
79.05482	25.9
81.07058	30.3
83.04945	8.7
85.06575	6.2
91.05473	43.7
93.07036	100.0
95.04951	22.8
95.08616	45.5
97.06502	10.1
105.07018	81.2
107.08592	35.9
109.06487	18.1
109.10153	17.0
117.06982	12.2
119.08575	50.7
121.06496	12.7
121.10129	51.2
123.08042	24.7
129.06973	12.3
131.08549	23.6
133.06447	15.2
133.10110	23.9
135.08032	24.8
135.11702	6.1
137.09583	13.2
142.07756	17.6
143.08577	27.6
145.10123	38.6
147.08026	16.8
147.11699	15.3
149.09581	28.0
151.07530	43.0
156.09349	8.8
157.10141	30.9
159.08037	7.5
159.11725	9.7
161.09612	20.9
161.13213	7.7
163.11165	8.2
165.09109	37.2
171.11699	8.3
173.09642	14.4
173.13229	6.7
174.10402	5.2
175.11172	22.2
175.14761	9.0
177.09177	12.4
185.13290	10.2
187.14885	5.7
189.12680	10.7
203.14320	34.3
203.99663	5.9
204.65854	6.0
207.13797	8.7
211.11061	6.1
219.13768	9.7
221.15323	59.6
231.13786	6.0
233.15359	6.7
234.16171	21.4
243.13699	6.8
278.02142	5.6
287.19907	8.2
303.19568	11.1
339.76553	6.3
365.24789	10.9
383.25760	60.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.2426
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22156	1.2
53.01657	1.4
53.03938	4.4
55.01867	18.6
55.05505	61.2
55.78664	1.3
57.03433	26.2
59.04992	1.7
65.03925	2.7
67.05499	67.2
68.05831	1.2
69.03426	12.4
69.03750	2.0
69.07059	30.7
69.71812	1.5
70.06579	3.2
70.37759	1.3
70.83674	2.9
70.84016	2.0
71.04979	6.1
72.08155	1.4
72.43871	1.4
73.02927	2.1
79.05484	59.8
80.05019	1.5
81.03405	24.0
81.07048	100.0
82.07383	1.8
83.04971	25.8
83.08611	28.9
84.08137	1.4
85.02887	13.3
85.06532	3.8
91.05469	29.3
91.06004	1.8
93.07029	43.3
95.04958	24.1
95.08595	29.6
97.02868	3.5
97.06530	10.5
97.10159	47.6
99.04428	4.8
99.08081	2.3
99.79234	1.4
103.03901	1.4
103.05438	1.5
105.07013	29.9
107.04920	11.9
107.08582	30.7
109.06502	10.3
109.10134	19.3
110.78992	1.3
111.04439	20.3
111.08067	14.2
115.05347	1.7
117.07000	11.1
119.08566	27.2
121.06485	9.3
121.10133	16.0
123.08054	45.9
123.11716	3.3
124.08427	1.4
125.06029	2.0
125.09618	43.6
127.07577	1.5
128.06195	2.4
129.05479	1.9
129.07013	9.7
131.08542	15.3
133.06508	3.7
133.10110	9.9
135.08047	9.6
135.11644	8.7
137.05959	2.0
137.09634	7.9
139.07526	1.6
139.11156	2.4
142.07793	2.4
143.06996	1.5
143.08548	5.8
143.10677	3.2
145.06474	2.0
145.10123	12.6
147.08061	9.1
147.11652	10.1
149.09599	8.4
149.13240	3.4
151.11188	3.7
153.09067	4.0
153.12724	9.3
157.10147	5.6
159.08131	1.8
159.11722	4.9
161.09631	4.5
163.11148	23.1
165.09114	9.4
165.12715	2.1
171.10182	4.3
171.11562	2.8
173.09636	2.8
175.11156	7.8
177.12733	2.9
181.12225	13.9
185.13152	2.1
187.14787	1.6
189.11209	50.6
191.10637	11.0
193.12231	18.2
195.11784	2.0
209.11623	2.0
211.13223	11.4
223.13246	8.0
227.12738	13.5
245.18976	2.1
247.07719	1.5
249.14938	2.4
255.17404	4.4
263.19980	3.1
273.18491	22.6
291.19510	55.8
292.19720	1.6
309.20633	1.9
347.22055	2.4
365.23245	9.0
383.15228	2.3
383.24234	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	383.1695
Annotation	Unknow
Peak:m/z	Relative Intensity
51.18013	2.3
53.03933	6.9
55.01855	11.2
55.05499	9.8
57.03417	8.9
58.48375	3.0
61.02904	5.0
65.03928	4.5
67.05495	24.7
68.99773	7.9
69.03423	47.6
69.07057	5.5
69.82703	9.6
69.83111	5.7
70.06582	2.6
71.01333	2.8
71.04969	10.6
73.02918	3.2
79.05489	31.6
81.03413	25.5
81.07051	52.8
83.04967	12.9
85.02903	43.1
86.09708	4.2
87.00816	25.6
87.04461	4.5
91.05467	39.4
93.07034	100.0
94.07344	3.6
95.04964	29.7
95.08594	36.8
97.02873	29.2
97.06519	7.0
98.20745	3.3
99.04461	5.1
103.03933	6.9
103.05434	3.7
105.01845	6.0
105.07014	69.9
107.04925	9.5
107.08581	94.4
109.02852	8.9
109.06510	17.7
109.10146	15.7
111.04432	15.6
111.08059	4.2
115.03900	11.5
117.07001	9.1
119.04890	3.4
119.08570	37.1
121.06480	16.8
121.10126	30.6
123.04408	13.2
123.08051	10.6
123.11709	6.1
125.05959	6.0
127.03862	7.6
129.01791	5.5
129.06967	7.9
130.07748	4.0
131.08569	20.5
133.06508	5.9
133.10120	29.3
135.04420	5.7
135.08049	8.8
135.11674	40.8
137.05956	4.0
137.09592	7.7
137.13190	3.8
139.65929	2.5
141.06995	4.3
142.07767	8.1
143.08543	9.5
145.06479	4.1
145.10088	24.2
147.02902	4.6
147.08054	7.5
147.11668	31.2
149.05986	7.3
149.09625	9.1
149.13251	7.1
151.07527	5.3
151.11145	8.2
154.07664	2.6
155.08511	7.1
157.10115	13.3
159.02945	5.1
159.08035	9.6
159.11674	17.7
161.09564	7.1
161.13268	5.1
163.07509	5.4
163.11168	42.0
163.14781	3.5
165.12758	44.6
167.07077	6.8
167.08449	2.8
169.10083	4.6
171.11758	5.4
173.09589	8.9
173.13206	4.7
175.07622	3.0
175.11176	13.6
177.09068	3.1
177.12737	17.9
179.07028	4.3
179.10715	5.3
181.10081	3.2
182.10980	2.5
183.07912	2.5
183.11729	3.8
185.09605	5.1
187.11169	3.9
187.14854	3.8
189.03864	6.0
189.12762	15.0
191.10640	4.7
191.14189	4.5
193.12241	10.7
197.13167	5.2
199.11156	3.2
201.03941	13.2
201.12706	7.8
203.10477	3.2
205.08525	3.9
205.12231	5.3
207.11649	3.6
207.13701	5.2
215.14331	15.5
217.12143	3.6
219.13780	13.1
225.12706	7.9
229.08606	3.2
231.08009	3.8
231.13882	5.4
232.08922	3.7
233.15372	3.4
237.14989	4.2
243.13808	49.1
247.07420	5.1
248.08344	4.7
251.69809	2.6
261.14844	76.8
261.17636	3.8
263.10547	4.5
264.07593	3.0
276.07733	4.5
277.08704	3.7
279.15909	13.7
291.09973	4.8
293.08099	2.6
307.09439	4.4
308.06848	2.7
308.10458	3.4
337.10843	3.2
347.14856	22.6
351.12335	8.5
352.12860	5.4
353.10056	5.4
365.11801	3.7
365.15948	35.7
368.12418	4.4
383.07748	3.4
383.15427	27.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.2425
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	7.3
55.01862	15.4
55.05502	51.8
57.03426	25.4
65.03925	3.8
67.05496	60.4
69.03419	12.7
69.07062	34.6
70.06577	8.5
71.04970	5.6
71.52596	4.9
72.08115	4.7
75.10217	2.6
79.05486	58.2
79.10185	2.7
81.03413	31.9
81.07048	100.0
81.07529	5.5
83.04969	27.2
83.08614	31.9
84.08114	4.2
85.02905	20.6
85.06541	4.0
86.09697	4.3
91.05460	36.4
93.06487	3.5
93.07038	47.5
94.94437	2.5
95.04949	29.6
95.08596	36.7
97.02879	7.8
97.06510	9.7
97.10154	40.7
99.04444	3.0
99.08056	3.9
100.11233	6.0
103.05432	3.4
105.07018	29.6
107.04944	7.8
107.08581	33.3
109.06497	10.1
109.10150	17.0
111.04425	27.1
111.08054	9.6
117.06999	7.1
119.08562	29.4
120.08089	10.0
121.06490	9.9
121.10134	17.5
123.08048	37.5
123.11663	7.4
125.09610	33.5
129.06976	10.0
131.08582	13.8
133.06496	2.8
133.10126	13.8
135.08026	11.1
135.11646	17.5
137.09598	8.9
137.10632	3.1
143.08556	6.1
143.10680	3.2
145.10104	16.7
147.08005	5.8
147.11636	15.1
149.09613	9.0
149.13184	4.0
153.12706	6.7
157.10112	7.9
159.07999	2.9
159.11702	7.1
161.09589	5.5
163.11171	19.3
165.09047	9.5
165.12762	3.1
171.10149	4.1
171.11607	4.8
175.11174	9.7
177.12794	3.7
180.10229	4.7
181.12215	12.2
189.11179	43.2
189.12738	5.9
191.10628	5.7
193.12257	22.4
201.12537	3.7
210.14987	3.1
211.13298	17.1
223.13268	7.3
227.12761	8.7
227.18031	3.2
245.18922	4.0
247.07474	3.3
249.14845	4.0
251.06955	3.4
255.17368	4.8
265.08487	3.1
273.18481	20.4
291.10437	2.7
291.19510	59.8
295.09851	3.1
301.63153	5.0
351.08548	6.7
351.12366	3.0
365.23288	7.2
380.26709	2.5
383.10764	6.0
383.14917	12.0
383.24246	23.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.1698
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02363	2.7
53.03936	12.8
55.01868	23.9
55.05510	17.2
55.70957	2.5
57.03420	9.4
61.02910	9.7
63.59383	2.7
64.62926	2.8
65.03913	6.8
67.05190	3.2
67.05504	39.0
68.99775	14.7
69.03419	62.8
69.07055	9.6
70.06551	4.1
71.01337	4.8
71.04982	11.4
71.44101	6.6
72.08131	3.5
73.02895	8.7
79.05490	42.8
81.03410	64.5
81.06591	4.7
81.07049	79.8
83.01315	3.1
83.04978	22.5
85.02895	65.3
85.06530	4.1
86.09704	3.8
87.00830	31.1
87.04489	3.3
91.05475	53.6
93.07037	97.4
95.04961	42.2
95.08610	20.2
97.02879	40.1
97.06508	7.5
98.90567	2.7
99.04433	18.8
103.03932	18.0
103.05417	4.9
105.01844	8.5
105.07018	71.1
107.04943	12.9
107.08583	100.0
109.02876	26.2
109.06509	35.3
109.10148	41.4
111.04423	16.7
111.07974	3.6
115.03899	6.5
115.05415	3.4
117.06992	16.4
119.04914	3.9
119.08577	52.6
121.06490	19.1
121.10132	53.7
123.04420	45.5
123.08036	7.1
123.11685	15.8
125.02326	3.5
125.05972	11.0
127.03896	24.6
128.06203	5.5
129.01819	10.3
129.05472	5.2
129.06964	8.9
130.07768	3.5
131.08542	24.1
133.06454	8.0
133.10109	39.0
135.04407	2.8
135.08044	9.7
135.11688	55.9
137.05946	5.8
137.09578	14.5
137.13274	5.4
139.11340	3.0
141.05446	7.7
141.06978	6.0
142.07796	4.9
143.08539	13.2
145.04922	5.7
145.06442	7.7
145.10120	31.2
147.02844	6.1
147.08031	10.5
147.11668	33.4
149.05948	8.1
149.09628	4.5
149.13210	8.1
151.07529	11.6
151.11147	10.7
155.08504	10.7
156.09337	4.9
157.10152	13.7
159.02858	8.4
159.08009	8.5
159.11658	22.0
161.09561	6.7
161.13264	5.6
163.11157	22.9
165.12695	15.5
167.07069	5.9
167.08452	4.5
168.09366	3.4
169.10123	5.2
171.02794	3.8
171.11674	8.5
173.09579	10.0
173.13246	8.1
175.07507	4.4
175.11201	16.8
177.09047	5.8
177.12695	19.5
179.06967	3.7
179.10672	3.3
182.10988	4.3
183.11697	6.6
186.18764	3.1
187.11081	6.0
187.14685	3.8
189.03903	14.1
189.12688	10.4
191.10606	4.8
193.12180	6.5
197.08067	2.9
197.13242	8.6
199.11211	5.8
201.03925	5.9
201.12735	13.0
213.05487	2.9
215.14262	14.0
217.12115	3.6
219.08127	3.4
219.13809	13.9
225.12732	11.1
231.04898	3.9
233.15295	3.6
243.13765	37.1
261.14801	43.6
279.15805	11.5
291.10373	3.9
297.16849	3.9
310.15448	3.2
316.05219	3.2
319.09503	3.3
337.10611	4.9
342.44724	2.6
347.14688	11.7
351.08463	3.5
351.12436	5.5
365.15930	23.4
368.12607	3.6
383.17212	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	383.1449
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	2.1
55.01852	1.8
56.96539	4.2
57.03432	4.2
61.02916	4.0
69.03420	11.7
70.06592	1.9
70.57819	6.6
81.03394	7.4
81.03812	1.6
82.02902	2.7
83.17283	1.8
85.02897	34.2
91.03912	1.7
94.06564	2.1
97.02909	10.8
98.20735	2.1
98.97537	4.1
99.04451	2.8
103.03887	2.5
106.06513	2.9
109.02881	3.3
110.07166	2.8
116.98587	2.5
117.05735	1.6
118.06524	6.6
119.01884	4.4
121.02818	2.6
127.03880	5.6
129.90562	1.7
130.06509	68.9
131.06859	2.5
132.04451	19.0
132.08070	5.2
136.07605	2.3
137.03065	1.8
138.06578	1.5
138.60732	1.6
141.20265	1.5
143.07283	2.0
144.06894	3.4
144.08051	26.8
145.03426	2.1
145.07584	22.3
146.05984	11.4
146.99696	1.8
148.07527	4.7
154.06477	4.3
156.08060	4.3
157.07596	65.6
157.08896	3.5
158.05995	47.3
158.08049	2.6
159.09148	8.4
160.07552	3.6
161.02936	2.6
169.07605	7.4
170.05925	2.8
171.09195	8.4
172.07521	11.8
174.05519	7.2
175.08644	56.3
176.07085	2.3
181.07614	3.0
182.05974	2.4
182.08380	2.6
183.09169	13.6
184.06091	3.2
184.07541	3.0
185.07045	13.3
186.05457	4.4
187.08650	3.7
190.08572	2.2
195.09068	2.2
197.02899	4.8
197.07188	2.1
199.08623	13.1
200.07076	17.5
200.08807	3.2
201.10217	1.9
203.08128	100.0
204.06538	4.0
204.08339	2.8
209.07018	9.0
215.08136	2.7
216.06808	2.0
216.08960	3.9
217.09700	34.8
218.10191	2.2
221.03053	2.1
221.09163	53.7
227.08076	10.7
228.06618	3.3
231.07567	4.6
237.02679	2.5
245.09213	27.6
257.09204	2.8
263.10266	43.8
281.05017	2.2
287.67297	1.9
299.10284	5.3
311.10196	2.8
323.06198	2.1
326.43903	1.9
329.11276	3.2
347.12363	10.2
348.10773	7.2
365.13358	24.9
366.13858	2.4
383.08453	4.0
383.14417	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	382.1706
Annotation	Zeatin 9-glucoside
Peak:m/z	Relative Intensity
60.04501	5.1
62.84027	3.1
66.03454	3.0
69.03416	4.2
69.07059	4.4
71.43465	7.8
72.04510	9.0
81.03393	3.0
81.66561	3.6
84.04483	4.5
84.08111	5.4
85.02890	10.3
86.09676	7.9
87.60934	3.3
90.05547	56.5
98.02399	7.1
103.07533	6.3
110.07191	7.0
116.03423	10.6
120.08074	18.1
124.07555	9.2
132.36882	3.8
142.08594	4.4
156.07690	7.4
166.08659	4.1
184.09726	6.3
202.10696	15.9
207.11324	9.4
220.11780	100.0
221.12779	8.0
361.26129	3.6
383.09409	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	383.1446
Annotation	Unknow
Peak:m/z	Relative Intensity
52.41484	2.1
55.01842	3.0
56.96565	14.4
57.03416	6.8
60.04502	3.8
60.57267	2.0
60.95831	4.0
61.02906	5.8
69.03419	18.1
70.06570	6.0
71.04967	2.3
71.52080	4.2
72.08130	3.1
73.02905	5.1
81.03389	9.4
84.04478	2.5
84.08128	6.0
85.02896	47.5
86.09670	1.9
87.04436	2.3
91.05429	2.5
91.93744	2.5
94.06540	2.7
97.02882	15.6
98.97573	16.5
99.04437	6.1
107.04943	2.5
109.02872	5.3
110.07137	12.3
116.98576	9.8
116.99351	2.1
118.06522	7.4
119.01885	15.2
121.02853	8.0
127.03896	9.2
128.98575	6.2
130.06509	65.9
131.01920	4.9
132.04433	25.3
132.08055	5.9
134.05972	2.2
134.99649	7.3
136.06142	2.9
136.07558	10.0
137.02911	4.6
137.06023	2.7
140.03381	2.0
142.06526	2.6
143.01920	3.2
143.07185	2.5
144.06871	3.8
144.08052	26.4
145.03424	4.1
145.05051	3.5
145.07584	20.7
146.05994	16.0
146.99600	5.8
148.07587	3.1
150.06543	2.0
154.06511	5.0
155.01797	4.0
155.05904	2.3
156.07903	3.1
157.07590	71.9
158.04800	3.8
158.06009	51.6
158.99579	3.5
159.09160	8.2
160.07507	4.4
161.02921	9.8
167.07126	3.6
168.08157	2.6
168.47217	2.4
169.07607	7.1
170.06001	3.8
170.08342	5.1
171.09149	8.0
172.04544	3.4
172.07506	10.6
173.02914	4.5
173.10699	3.0
174.05466	8.9
175.08647	59.8
176.09067	2.1
177.00789	3.5
177.05455	2.5
179.01971	3.6
181.07623	3.4
182.06052	2.4
182.08365	5.3
183.09135	17.3
184.07520	3.0
185.02837	4.2
185.07051	9.8
186.05484	3.1
187.57106	2.4
190.08708	3.1
195.08928	3.3
196.04561	7.9
197.01236	2.3
197.02986	5.8
199.08638	7.4
200.07079	18.6
202.07118	2.3
203.08136	100.0
204.06561	4.2
204.08371	3.4
208.99574	2.8
209.07077	8.6
215.03954	3.9
215.08167	3.3
216.08879	3.4
217.09689	37.3
219.01820	4.9
221.02989	6.5
221.09181	57.7
222.02499	6.9
227.08263	12.8
231.07579	7.3
237.02872	3.7
239.03946	5.2
240.03609	5.1
245.05009	8.8
245.09157	27.7
257.09207	3.1
263.10233	42.6
266.08350	2.4
274.10666	2.8
275.03949	2.8
275.10373	2.8
277.00723	3.2
281.05099	2.8
288.08951	2.1
299.10117	6.0
315.92920	2.5
323.06061	6.8
329.11118	4.2
341.07181	5.8
347.12259	9.8
348.10602	10.1
365.13428	27.7
383.08243	11.2
383.14285	23.9
384.07950	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	381.263
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	6.4
53.43493	2.5
55.01868	17.5
55.05505	82.8
56.20018	2.3
57.03436	19.5
65.03939	6.8
67.05498	100.0
69.03425	6.0
69.07060	31.4
69.50137	21.2
70.06591	5.0
71.04984	34.5
72.08111	2.9
73.06555	3.9
79.05019	3.4
79.05484	63.8
81.03404	10.0
81.07048	73.5
81.42057	2.4
83.04959	13.7
83.08612	58.2
85.06535	3.6
91.05471	61.0
91.51637	2.5
93.07035	78.2
95.04959	74.8
95.08598	53.1
97.06515	11.3
97.10162	8.5
98.21481	5.2
99.08092	3.2
105.07018	50.1
107.04957	21.6
107.08585	41.6
109.06521	17.8
109.10143	26.9
110.07187	3.7
111.04453	2.9
111.08055	13.1
117.07000	26.2
119.08562	35.2
120.58684	2.5
121.06475	17.8
121.10133	37.4
123.04443	3.0
123.08055	9.7
123.11727	5.8
125.06001	3.7
125.09617	9.1
129.06967	7.9
131.08554	28.4
133.10107	29.1
135.08023	9.9
135.11665	20.9
137.09605	8.1
141.06966	4.6
143.08540	4.3
145.06491	3.3
145.10086	35.1
147.08058	5.3
147.11662	23.1
149.09599	42.9
149.13271	3.7
151.11176	7.3
155.08536	6.0
157.10123	6.4
159.11703	20.9
161.09621	5.4
161.13266	6.2
163.11177	47.7
165.12741	10.6
169.10118	5.4
171.11552	5.8
173.09537	5.3
173.13271	9.5
175.11137	4.5
177.12819	12.5
179.14339	5.2
183.11575	4.4
187.11200	8.2
187.14749	2.8
189.11208	6.4
189.12772	3.6
191.10612	3.4
197.13258	5.6
201.12819	4.9
205.12224	14.5
207.13846	3.2
215.17984	3.2
223.13205	11.9
229.19530	9.9
231.13603	3.0
239.17966	12.2
247.20575	6.7
257.19028	10.8
275.20044	74.2
279.15820	3.3
289.21841	2.5
293.21167	7.5
307.22433	6.4
349.23657	17.9
381.26401	35.5
397.49628	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	381.263
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	4.0
55.01864	4.2
55.05503	15.7
55.47139	1.9
57.03433	11.6
59.04998	3.6
67.05498	50.3
67.28767	1.9
69.03418	2.5
69.07065	18.6
71.04600	3.0
71.04985	54.4
71.52495	2.8
77.39108	2.1
79.05484	40.2
79.99352	1.6
81.03415	2.9
81.07047	100.0
83.04964	6.4
83.08608	10.5
85.06536	4.1
91.05467	28.7
93.07031	30.1
95.04951	8.2
95.08601	34.0
97.06540	10.1
99.08093	2.6
105.07029	31.0
107.04933	6.2
107.08585	22.8
109.06491	13.5
109.10158	8.4
109.48759	1.9
111.04419	6.5
111.08061	6.4
111.11739	2.3
113.09624	8.4
117.06999	5.8
119.08572	23.3
121.06483	4.8
121.10143	12.9
123.08046	10.0
123.10828	1.8
123.11713	6.6
125.09593	4.0
129.06998	3.1
131.08527	12.6
133.06519	2.7
133.10123	16.7
135.08064	4.9
135.11693	9.3
137.09572	6.1
143.08543	2.2
145.10083	8.8
147.11671	20.8
149.09610	10.6
149.13237	7.0
159.11685	7.1
161.09590	2.3
161.13287	3.9
163.11156	8.5
165.12718	8.7
169.10011	2.1
173.13297	5.2
173.50017	1.9
177.12805	2.4
187.14708	2.9
193.12248	2.6
202.49442	1.8
229.19623	1.9
247.20535	3.3
257.19009	5.7
275.20026	35.7
291.63770	2.2
307.22656	16.8
349.23718	5.2
381.26346	27.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	380.1911
Annotation	Unknow
Peak:m/z	Relative Intensity
52.13902	1.7
55.01853	2.0
67.05503	18.1
69.03416	4.6
70.06585	6.0
71.04970	2.6
71.52751	1.8
71.53166	1.9
72.08131	1.9
74.06079	1.7
79.05485	3.1
79.64039	1.6
81.03382	2.0
81.07053	14.8
83.04949	2.0
84.04478	3.0
84.91675	1.7
85.02901	11.5
85.79670	1.7
86.09697	7.4
91.05479	2.2
93.07034	4.2
95.04983	2.2
95.08608	8.3
97.02884	4.0
97.43175	1.6
99.04444	3.6
104.28086	1.6
107.08566	2.1
109.06475	2.3
109.10157	54.1
110.07135	2.4
119.08569	4.5
120.08096	7.6
121.10114	2.7
125.05984	5.4
132.10175	1.9
136.07587	3.2
137.09612	100.0
138.09956	2.3
145.04922	2.1
154.77333	1.8
155.10674	33.2
165.09114	53.9
176.10736	3.3
180.08716	2.5
183.10132	25.2
187.14436	2.5
201.11212	91.8
202.11655	2.2
219.12231	5.0
221.12875	3.8
249.12430	2.4
309.13052	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	381.079
Annotation	Unknow
Peak:m/z	Relative Intensity
67.09695	3.5
69.44673	14.0
69.45100	17.2
96.99939	3.9
98.21479	5.8
104.44266	3.7
132.01297	3.7
134.26630	3.4
201.01517	5.2
220.11401	3.5
240.34410	4.1
270.67371	3.9
381.07874	100.0
382.07916	4.0
394.73010	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	381.1239
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96558	3.8
69.03423	1.0
69.90173	2.2
70.06588	0.7
71.28566	0.4
72.08160	0.5
81.03436	0.5
82.99865	0.5
84.04450	0.4
84.08134	1.2
84.95990	0.4
85.02895	1.1
86.09686	0.5
97.01402	0.5
97.02874	1.0
98.20850	0.8
98.97575	7.5
99.24819	0.4
101.00879	2.1
103.02451	0.8
110.07156	1.3
110.97581	1.3
112.99123	0.7
113.00918	0.8
115.00665	0.4
115.02401	3.1
116.98610	4.4
119.01911	4.9
121.03552	0.6
127.02436	0.4
128.98607	1.8
129.02261	1.0
129.03943	0.9
129.10220	0.5
131.00195	1.5
131.01904	4.6
133.01825	1.0
133.03455	18.5
134.03575	0.5
134.99687	1.2
136.06209	0.4
137.02974	0.6
140.98650	0.4
141.03984	1.0
143.01865	2.7
145.03452	4.2
146.99689	1.0
147.03267	1.7
147.05026	1.7
149.01222	0.9
151.04523	2.5
152.04602	0.4
153.03989	0.7
155.01869	5.2
155.27008	0.4
156.04924	0.4
157.03461	4.2
158.99672	1.4
159.03297	1.5
159.05014	7.8
159.06215	0.6
161.01466	0.7
161.02939	5.4
163.04561	0.9
169.03473	0.8
170.99617	0.5
171.03548	0.6
171.05002	5.5
173.02945	7.7
175.03093	0.7
175.04530	4.3
177.00754	1.5
177.04395	2.4
177.06111	3.2
179.01973	1.4
183.03452	0.7
183.05003	4.5
185.02821	2.3
185.06619	1.5
187.02878	0.5
187.04552	1.3
189.00735	0.6
189.04347	1.0
189.06111	1.8
193.03462	0.5
195.05380	1.7
195.07230	2.2
197.02960	4.0
197.06622	1.2
199.04514	0.9
201.00871	0.5
201.04335	1.7
201.06152	2.1
203.02379	0.7
203.04042	2.4
205.03839	0.6
205.05560	0.7
207.05098	0.9
211.04539	1.9
213.06148	1.1
219.01823	1.8
219.05367	0.9
219.07143	16.7
221.05048	11.5
221.07028	0.7
222.05353	0.8
223.04834	0.6
225.06171	0.9
231.07118	17.5
232.07352	0.7
233.08708	3.8
237.02795	3.9
245.05043	16.7
245.08838	0.9
246.05276	0.8
247.04715	0.7
255.04341	0.7
255.07101	6.1
259.06784	1.1
261.05975	0.7
261.08646	2.0
263.06177	1.2
264.84995	0.5
265.05804	1.1
273.08179	6.0
278.87531	0.4
291.08884	0.7
295.06891	0.6
303.09396	0.6
321.10349	100.0
322.10529	5.6
334.30450	0.5
339.11032	5.3
362.12973	0.6
381.06619	0.5
381.12146	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.2839
Annotation	Methyl 15-acetoxy-7-labden-17-oate
Peak:m/z	Relative Intensity
55.01874	4.3
55.05494	13.9
57.07077	24.4
67.05503	15.9
68.13137	3.5
69.07060	26.4
69.78311	9.9
69.78729	9.5
71.04975	6.0
79.05480	13.8
80.82887	3.2
81.07056	35.7
83.04968	5.1
83.08616	10.8
85.06542	16.7
91.05472	13.2
93.07037	24.8
95.08619	25.6
97.06553	5.2
97.10175	3.2
98.20892	5.2
105.07018	10.4
107.08582	28.7
109.06503	13.6
109.10143	9.7
111.04411	4.2
111.08067	7.3
119.08551	7.4
121.10126	13.7
123.08026	15.7
123.11711	5.3
125.05967	8.6
133.10121	7.7
135.08051	33.7
135.11678	9.2
137.05972	40.7
137.09651	4.5
139.07527	3.9
145.10103	5.0
147.11610	6.3
149.09619	9.3
149.13225	7.8
151.07506	5.1
151.11226	5.5
152.08296	4.6
153.09015	3.7
159.11702	4.9
161.09521	4.8
165.09096	13.4
165.12749	6.4
177.12679	18.1
179.14256	6.2
193.12418	3.9
203.17987	4.1
207.13863	4.6
225.71089	4.3
233.49480	3.6
263.20090	6.1
296.02640	3.6
319.26108	12.1
323.22040	5.0
347.25781	87.3
348.26041	5.2
351.28888	27.9
361.27246	15.1
379.28445	100.0
380.28891	8.0
381.63379	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	379.1357
Annotation	Unknow
Peak:m/z	Relative Intensity
51.42930	0.4
52.31294	0.4
53.32094	0.4
54.03429	0.5
55.01830	0.6
69.03382	0.4
70.06590	3.4
70.84466	1.3
72.08124	0.5
77.40092	0.5
79.77302	0.4
84.04458	0.9
84.08086	1.1
85.02895	0.7
86.09665	1.6
91.05466	0.4
93.06992	0.5
95.20825	0.4
99.61829	0.4
124.05030	1.1
127.03868	0.6
129.10202	0.7
149.04553	1.5
163.03860	0.6
166.07199	1.2
181.08591	1.0
182.08905	1.6
182.83698	0.4
189.06419	1.0
195.29591	0.5
199.09717	0.6
200.10039	1.0
201.06468	1.6
202.07236	3.7
203.07954	2.7
204.08780	10.7
214.07298	0.5
215.07993	2.3
215.13939	0.6
216.08781	100.0
217.09492	5.9
218.10347	7.8
225.06403	4.4
226.07198	1.8
227.07980	1.8
228.08728	1.1
229.09561	1.4
230.06818	0.6
230.10335	10.6
240.08778	23.3
241.09470	1.7
242.10274	5.5
244.08273	2.2
246.09846	14.7
255.09804	0.7
257.11459	0.5
258.09811	7.1
268.08249	1.2
283.09412	2.4
286.09314	31.8
287.09763	0.8
315.12024	2.6
329.09888	1.2
333.13016	2.4
343.11707	0.7
347.11050	2.8
361.12744	3.4
379.13632	37.2
380.13928	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.0996
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05492	0.6
69.03435	0.5
69.86533	0.8
69.86923	1.4
70.06583	4.4
72.08146	3.6
81.03447	0.5
81.07050	0.5
84.04504	1.1
84.08138	2.5
85.02905	0.9
86.09698	2.2
87.34247	0.4
91.05516	0.6
98.21507	0.5
101.40623	0.4
109.02851	0.5
110.06036	0.4
110.07164	1.0
117.03391	0.7
117.80549	0.4
120.08120	2.4
129.10274	0.7
130.04955	0.4
132.95834	0.5
136.07614	0.8
137.05927	0.4
137.09645	0.5
145.02823	1.9
147.11548	0.5
159.52010	0.4
177.05440	2.8
185.04193	3.7
196.50821	0.5
203.07011	0.8
217.04697	5.3
234.98952	0.7
235.04503	0.5
238.03296	0.5
257.08017	0.5
379.09952	100.0
380.10181	4.0
397.09872	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.1452
Annotation	Tuliposide D
Peak:m/z	Relative Intensity
53.03925	2.1
56.05016	1.2
57.03429	7.6
59.04981	0.9
61.02908	2.8
69.03423	15.5
69.51067	0.8
69.51472	4.4
69.97528	0.6
70.06589	4.6
71.01336	2.3
71.04973	2.6
72.08142	2.1
73.02892	2.3
75.04469	3.0
76.23417	0.6
78.20704	0.6
78.33361	0.7
81.03398	3.8
84.08113	2.5
85.02902	0.9
86.09693	4.7
87.04482	0.8
92.34676	0.6
93.36819	0.7
95.08604	0.8
97.02907	0.6
99.04457	5.2
108.64419	0.6
110.07153	0.8
111.04382	0.6
113.87028	0.6
117.05473	1.5
120.08083	1.7
123.25184	0.7
129.10271	0.7
130.06522	1.5
136.07451	0.7
137.05956	0.8
145.07581	2.7
146.00246	0.6
151.03854	0.7
156.12830	0.6
170.07132	1.6
172.08672	32.4
186.12344	1.4
190.09734	1.2
198.06592	6.4
200.08141	5.0
214.14268	0.7
215.14674	1.6
216.07668	18.0
217.57793	0.7
218.09271	1.5
229.08371	0.7
240.14180	0.6
243.08755	77.6
244.09164	1.4
273.12448	0.9
317.11090	1.3
333.14529	1.3
359.13138	3.5
377.14508	100.0
378.14767	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	378.1754
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02378	0.7
51.37661	0.6
53.03926	1.1
55.01874	1.0
55.05504	0.6
56.05040	0.9
57.03435	0.5
60.47793	0.7
68.61358	0.7
69.03407	2.9
70.06583	5.2
70.71567	1.2
70.71887	0.9
72.08138	2.3
74.06052	0.8
78.70229	0.7
79.05431	1.0
81.03414	2.1
84.04491	1.2
84.08123	2.2
85.02895	9.3
86.09697	3.8
91.05482	8.5
93.07028	8.3
95.04958	1.8
97.02889	3.7
99.04433	1.4
103.05454	4.9
105.03347	1.6
105.04533	0.8
107.04986	0.8
107.08555	0.7
109.02862	1.4
110.07170	1.2
111.04445	0.9
114.05505	0.7
119.04941	1.2
120.05692	1.4
121.06491	13.0
123.04436	0.8
127.03935	1.6
136.07565	1.3
137.05931	1.0
138.06737	1.1
145.04950	1.8
147.04407	1.2
148.05122	1.5
149.04828	0.8
149.05945	4.3
151.03908	1.5
153.05449	1.5
154.47824	0.7
163.03914	1.0
164.07100	0.8
166.06232	8.5
167.06998	1.1
177.05324	0.6
181.08572	100.0
182.08952	2.1
184.07361	0.8
199.09641	70.0
200.10004	1.6
202.07156	1.3
203.07892	1.3
204.08842	4.0
206.28658	0.7
209.08096	0.9
211.09654	1.1
216.06750	1.7
216.08768	45.6
217.09557	2.5
218.10355	5.5
223.09615	0.7
225.06422	2.6
226.07188	1.3
227.07961	1.2
228.08722	0.7
230.10335	6.7
234.98990	1.3
240.08800	10.0
241.09579	1.1
242.10329	2.6
244.08357	0.9
246.09818	6.5
247.04221	0.6
249.36960	0.6
254.26791	0.7
258.09824	3.4
276.99884	0.9
283.09473	0.7
286.09329	13.8
288.88412	0.6
315.11917	1.1
325.34012	0.7
333.13004	1.0
347.10907	1.4
351.11490	0.7
361.12521	2.3
362.48462	0.7
364.74704	1.0
373.27960	0.8
379.02924	0.8
379.13712	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	375.0919
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.9
55.01853	0.4
55.05512	0.7
57.03419	0.7
59.05506	0.3
60.05615	0.3
61.02908	0.5
63.04531	0.3
69.03423	3.8
69.07056	0.5
69.37537	3.2
70.06584	2.8
71.04991	0.4
72.08146	10.9
73.02914	0.9
74.06076	1.4
79.05483	0.5
81.03410	2.8
82.06566	0.4
84.04501	1.5
84.08142	2.7
85.02898	5.7
86.09695	6.5
87.00819	1.7
87.10040	0.9
88.01746	0.3
91.03944	0.5
91.05465	0.4
97.02874	1.9
99.04453	1.4
100.07599	0.5
105.01846	1.3
105.07015	0.5
107.08572	1.0
109.02880	3.3
117.03365	0.7
119.08625	0.4
121.10110	0.7
127.03904	100.0
128.04233	1.1
129.10199	1.7
131.08601	0.4
133.44991	0.3
135.08009	0.4
136.07579	0.5
141.10175	0.4
143.11789	1.0
145.02858	1.1
145.04929	1.2
145.09735	0.9
146.03186	0.8
149.05980	0.4
149.09650	0.4
155.08159	0.7
159.02885	1.6
167.06915	0.4
171.11484	0.3
173.09222	0.7
177.05432	1.9
177.09064	0.4
178.05753	2.3
183.11276	0.6
195.06480	0.9
195.10124	1.7
196.06891	1.1
199.18027	0.9
200.13994	0.6
200.18347	1.1
203.13930	1.4
213.11227	1.4
254.14951	0.6
287.00317	0.4
331.13553	0.5
375.12192	1.2
375.23096	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.1076
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.8
54.60069	0.7
55.01859	3.2
55.05506	1.9
56.45763	0.8
57.03439	4.8
60.17078	0.9
60.97957	0.9
61.02919	1.9
68.99794	0.9
69.03419	9.0
70.06596	3.5
71.04994	1.2
71.18842	1.4
71.19191	1.2
72.08144	1.8
73.02908	2.1
77.39608	1.1
81.03407	10.2
83.04977	3.9
84.04490	0.9
84.08128	2.7
85.02898	19.0
86.09699	2.8
87.00829	7.1
87.04458	1.4
91.05471	3.4
95.04959	2.0
97.02883	5.0
98.06070	0.9
99.04444	2.6
101.05998	6.9
101.16829	0.8
105.01854	4.7
105.03365	1.4
109.02860	11.3
110.07198	1.7
111.04417	2.8
117.01851	1.5
120.08114	1.9
127.03902	16.7
129.05466	100.0
129.10220	0.9
130.05768	1.1
133.04010	0.8
137.05975	1.5
145.04944	4.9
147.37103	0.9
159.02867	5.0
162.09099	1.1
165.05510	1.0
174.38574	1.0
181.08589	3.9
199.09697	2.2
208.09686	1.2
212.06378	1.0
213.03908	1.1
214.52684	0.9
225.10065	0.9
231.05009	1.4
249.77783	0.9
275.99313	1.7
289.11560	1.4
317.11420	1.5
359.12274	2.2
377.13416	3.0
378.02316	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.2737
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05494	22.3
57.07063	4.7
59.13686	5.8
65.03910	11.9
67.05496	34.1
69.03410	15.7
69.07064	40.9
69.21651	5.1
70.06583	28.4
71.52974	8.1
72.08147	37.1
79.05476	19.8
81.03404	7.4
81.07048	100.0
83.04977	6.6
83.08593	7.0
84.08149	12.2
85.02907	11.4
85.06544	8.4
86.09698	39.7
86.17858	5.5
91.05467	21.4
93.07043	35.4
94.67043	4.9
95.04935	10.3
95.08601	58.5
97.06539	9.0
99.08083	16.0
99.55819	5.0
100.11256	6.4
104.05320	10.3
105.07035	22.7
107.04938	9.1
107.08584	52.6
109.06503	11.2
109.10158	59.8
110.07210	8.5
111.04430	12.1
116.80696	5.1
117.06989	8.1
119.08586	25.6
120.08087	23.0
120.08840	5.6
121.06424	7.3
121.10132	31.8
123.08099	9.0
123.11684	21.5
125.05977	10.2
125.09637	6.4
127.03887	5.3
128.03749	5.0
129.06973	6.2
130.08556	8.5
131.08542	10.3
132.08102	7.2
133.10117	14.2
135.08031	8.4
135.11667	20.5
137.05969	13.5
137.09590	8.3
137.13226	17.4
139.11145	16.9
141.27716	5.4
143.08572	6.7
145.10075	11.8
147.04462	10.2
147.08064	7.4
147.11641	15.3
148.03949	43.8
149.09610	6.6
149.13249	8.8
151.03906	7.1
159.11658	10.6
161.09604	7.2
161.13187	7.9
164.07350	12.6
165.09129	7.0
166.05023	27.2
166.08688	7.8
167.07001	18.4
167.10674	7.6
172.03949	8.9
175.14827	6.7
177.16406	8.8
178.05713	5.0
179.10738	10.3
185.16492	14.4
187.14836	5.1
189.16273	6.3
193.12260	6.6
201.16295	8.7
203.17879	10.2
204.06511	13.9
213.15985	6.0
229.03326	8.2
229.15671	5.1
241.80478	5.3
247.16878	13.7
255.11346	8.1
301.11804	33.8
303.23132	27.2
319.12891	7.4
321.24161	9.4
343.13123	5.7
375.14639	11.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.1442
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	2.4
55.01859	3.8
57.03421	2.4
60.59274	1.0
61.02901	2.8
65.03929	2.1
67.15407	1.1
69.03422	14.9
70.70288	2.8
71.04982	1.7
71.82322	1.0
73.02905	3.1
81.03416	10.4
84.04497	2.6
85.02895	44.2
86.09687	10.5
86.58136	0.9
87.00821	17.8
91.05473	100.0
92.05795	1.6
97.02888	14.0
99.04448	6.1
105.01859	28.0
105.02563	1.5
105.07036	1.8
108.04480	2.4
109.02875	13.6
127.03910	34.8
127.33071	1.0
129.01830	1.7
129.06975	2.2
132.10164	2.0
133.06465	1.3
145.04944	18.6
145.06094	1.6
145.06561	1.4
147.02896	2.1
157.06476	1.0
159.02856	6.8
171.08000	1.3
175.07535	2.0
179.23825	0.9
189.03983	2.3
197.12808	1.9
199.07562	1.5
210.53516	0.8
213.03947	1.6
215.13899	3.5
215.57851	1.0
217.08591	1.5
230.06546	1.2
231.05006	10.5
243.13318	1.4
249.06020	2.1
321.09760	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.1444
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02930	1.6
69.03434	2.6
70.06594	1.0
70.88176	2.8
72.08167	1.7
79.61559	0.9
81.03393	1.9
85.02900	15.0
86.09696	1.7
89.03912	4.5
91.03924	1.3
97.02890	3.9
99.04377	0.9
109.02874	1.0
117.03368	13.2
127.03914	2.8
134.03607	1.4
135.04402	2.3
145.02837	38.7
145.04840	4.3
146.03148	1.0
149.05940	7.2
153.05545	1.0
163.03934	3.4
166.88399	0.9
177.05461	100.0
178.05833	3.3
195.06516	45.4
196.06895	1.8
230.07057	1.0
279.57425	0.9
290.69522	1.0
313.79379	0.9
374.18573	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.0262
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96567	28.8
60.04508	3.8
62.89410	3.3
71.51610	5.5
84.96030	26.9
89.61684	3.2
97.08506	3.9
98.97580	20.4
102.97032	3.6
116.98592	18.0
128.98593	6.3
131.01921	5.6
134.99696	10.0
135.99968	3.6
136.99654	8.0
143.84564	3.6
146.99678	6.7
155.00723	10.5
163.01183	17.7
164.99132	7.8
176.97450	9.7
177.00926	49.7
179.00723	10.9
180.02684	4.5
181.02249	27.8
187.03101	5.1
188.03047	4.0
189.01125	6.2
189.02728	36.7
190.99088	5.4
191.00679	29.2
193.02293	5.8
194.98444	10.4
201.00191	5.7
201.99472	3.3
203.02505	6.5
205.00513	5.0
205.02315	8.6
205.04094	7.0
206.04286	7.9
207.00285	11.7
207.03825	77.6
215.98695	3.9
217.02292	34.7
217.04117	48.1
218.98474	6.9
219.00208	7.8
219.02020	43.0
220.02034	4.6
220.98277	5.6
222.00720	5.0
225.98935	4.0
227.02515	8.8
228.00687	4.6
230.99973	4.4
233.01735	33.4
234.99753	9.4
235.01778	5.3
236.00458	7.6
236.99402	13.5
238.97456	6.9
239.50107	3.9
239.99519	6.8
241.64751	5.8
243.02121	11.5
244.98169	4.0
245.03568	94.4
245.48483	6.4
245.98415	5.0
246.03793	4.4
246.97964	5.6
247.01393	5.5
248.31866	4.3
250.99615	5.1
252.49306	4.9
253.00784	9.7
253.98860	3.7
258.99667	13.9
259.98184	6.5
261.01276	14.9
261.03369	8.9
262.99097	8.5
264.98672	6.7
271.01617	28.7
271.98230	4.1
272.97870	7.7
274.97824	5.2
277.00842	13.2
279.02612	25.5
281.97821	4.4
282.98816	4.5
285.98590	4.5
286.99860	6.2
289.02734	41.1
293.98276	12.1
294.48416	7.3
294.98352	10.5
298.97980	3.9
300.98932	4.0
301.97623	4.4
302.98859	8.0
303.48895	8.6
305.00293	54.8
305.99490	5.2
306.49261	5.3
307.97357	6.6
308.99878	9.2
314.97000	6.9
315.00385	34.5
320.96457	5.1
321.47333	5.7
323.01263	13.1
328.49060	5.0
329.97635	15.0
330.47400	11.5
330.97488	9.9
333.01721	85.6
335.99417	6.4
336.98914	5.0
337.97238	7.3
338.98175	11.9
339.47964	12.1
339.98193	6.6
341.64798	5.1
341.98480	36.6
342.48456	35.8
342.98608	10.1
343.97067	4.9
345.64694	4.5
346.31345	4.4
348.97940	6.8
351.01227	100.0
351.48709	24.3
351.64310	6.2
351.98373	18.1
357.97833	8.5
358.30753	4.8
359.98471	7.2
360.49350	7.8
360.98904	5.3
362.98337	8.1
365.65173	5.5
371.98517	11.6
372.48816	7.5
374.02740	6.5
375.22467	5.4
381.49469	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.183
Annotation	Unknow
Peak:m/z	Relative Intensity
52.00093	0.3
55.01859	0.3
55.05505	0.4
56.05017	1.1
69.03423	0.4
69.07053	0.3
70.06570	1.4
71.28331	0.7
72.08147	5.1
79.05503	0.4
82.72011	0.4
83.06095	0.4
84.04498	1.4
84.08137	23.2
85.02887	1.2
86.09696	8.1
91.05840	0.4
95.04996	0.4
101.10780	0.8
105.03384	3.3
116.07058	0.5
117.03342	0.9
119.01912	0.5
125.79089	0.3
127.08637	0.3
129.10233	15.6
135.11649	0.5
137.05984	0.4
144.06544	1.4
145.02765	2.0
149.05949	0.5
157.13321	1.2
158.03709	0.4
161.09232	1.5
177.05458	4.8
179.07016	0.8
185.12766	1.5
185.16513	0.5
189.12318	1.3
193.11967	2.6
194.08131	0.6
195.06473	1.6
195.13586	1.0
197.16463	1.1
201.03711	2.6
201.05510	1.0
203.05246	7.8
224.17555	0.5
242.18597	1.1
245.18556	0.6
253.12807	1.4
260.19794	0.6
271.13849	0.5
325.10666	0.4
373.18298	100.0
373.27975	6.3
374.18738	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	374.144
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05024	2.4
57.03426	2.5
65.03934	2.8
68.20666	1.6
69.03427	17.1
69.07054	5.9
70.06600	8.5
70.12092	1.6
70.81462	5.4
71.04984	4.7
72.08148	3.7
81.03428	9.0
81.07066	2.1
84.04498	19.0
84.08136	7.9
85.02913	18.6
86.09702	100.0
87.00824	11.6
87.04470	2.3
87.10027	8.4
91.05477	92.0
93.07066	3.1
97.02888	28.9
99.04453	11.3
102.05552	8.8
105.01862	10.7
105.07059	2.5
109.02905	3.3
110.07161	3.8
117.99480	2.0
120.08112	3.5
127.03915	30.6
129.06601	6.5
129.10262	4.2
132.10213	18.4
137.06039	1.8
145.02838	2.4
145.04942	19.4
151.03911	5.2
167.07033	2.0
170.11746	3.9
174.43843	1.6
177.05463	2.8
179.10695	2.7
188.31177	1.9
197.12857	12.9
199.18057	6.8
201.05472	5.0
202.05807	6.2
213.03860	1.9
215.13899	20.4
215.15819	2.7
225.12337	2.7
231.04974	14.4
243.13394	4.8
243.15521	1.9
249.06015	3.8
250.06302	2.3
326.10950	1.9
332.07492	3.4
374.08789	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	372.2743
Annotation	Unknow
Peak:m/z	Relative Intensity
52.21035	16.4
54.54333	15.2
60.33481	16.3
67.05496	20.7
69.63022	100.0
70.06570	19.5
93.07038	18.8
97.06519	19.9
159.11623	24.8
207.48344	19.0
292.12448	82.9
351.47375	18.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1126
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	2.3
57.03428	1.7
69.07088	0.9
69.84082	4.3
70.06568	2.8
71.01355	0.9
72.08137	2.1
73.02874	1.4
79.05469	2.7
79.25092	0.8
81.03349	0.9
83.06086	4.0
84.04513	4.7
84.08124	2.6
85.02876	3.3
86.09691	12.3
92.43478	1.1
95.01318	2.6
95.04948	3.5
105.03381	100.0
105.06970	1.0
106.03703	2.5
113.02325	1.3
123.04424	3.1
129.06554	2.4
129.10223	0.9
131.03368	1.3
131.67938	1.0
132.10175	4.0
133.34222	1.0
137.05957	2.0
141.01822	5.2
159.02867	1.0
173.02640	0.8
179.07019	24.5
179.08569	2.0
180.07399	0.9
194.20245	0.9
196.14415	3.7
197.08078	12.3
197.12894	2.4
201.05472	2.4
214.15384	2.3
217.62346	1.0
242.15057	1.0
331.12650	0.9
355.23386	2.7
373.13785	2.3
373.18314	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	372.1842
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96560	8.8
71.04273	1.8
71.95255	1.3
72.59786	1.0
75.78512	0.8
87.04433	1.2
88.07612	1.0
98.97575	1.0
110.97565	0.9
116.98582	1.3
125.82339	0.9
128.98590	2.7
137.05847	1.0
146.99692	2.5
149.01289	1.0
171.03273	1.2
185.04860	3.3
189.04311	1.7
199.06412	3.3
203.05952	5.7
205.07277	1.0
211.06517	1.4
217.07452	6.9
221.06839	1.3
223.02634	1.3
223.06509	1.0
225.04385	1.1
237.04294	2.6
251.05682	1.4
253.11098	1.4
255.05626	1.0
267.09070	1.2
279.09146	1.3
280.09848	3.0
285.09891	1.1
287.55728	1.0
298.10828	1.5
299.11530	1.0
307.15872	1.2
325.16641	1.0
331.15771	16.3
349.16812	100.0
350.17206	3.9
364.36899	0.9
367.17737	4.5
372.18423	18.4
372.34729	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	372.2741
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62146	5.8
52.07785	5.2
56.96566	7.2
69.07027	7.0
70.66236	11.9
70.66619	14.0
72.91430	5.5
75.12436	5.2
77.15979	5.0
79.05457	5.1
81.07040	11.1
84.28630	5.4
87.04473	9.0
88.07647	7.9
95.08647	5.8
97.02896	5.3
123.40778	5.4
137.05942	28.2
190.30513	5.3
195.61023	5.9
217.07579	8.6
238.21568	6.6
277.17957	32.7
280.09662	8.9
295.19052	13.7
310.31015	7.8
323.59283	5.5
331.15765	16.7
349.16794	100.0
350.17313	7.6
372.18546	16.8
372.27130	7.0
372.34714	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	371.2787
Annotation	Unknow
Peak:m/z	Relative Intensity
51.48101	3.6
55.05499	10.6
57.03424	5.8
57.06829	3.3
57.07071	24.0
58.59154	3.4
61.48520	3.5
67.05495	44.4
69.07054	11.4
70.56389	8.3
70.56799	7.9
73.04765	3.8
79.05482	11.0
81.07048	38.6
83.04955	5.4
83.08595	11.1
85.10170	69.7
87.29773	3.4
91.05417	23.9
93.07019	20.0
95.08576	28.7
95.59017	3.6
96.14442	3.2
97.06516	5.3
97.10139	6.6
98.20760	4.0
104.33426	3.6
105.07014	16.3
105.71832	3.4
107.08568	15.2
109.10181	7.7
111.08013	5.6
113.09631	100.0
120.56672	4.0
121.10134	10.6
123.11681	5.4
131.10687	5.7
133.10118	46.6
147.11694	4.6
149.09650	11.6
149.13219	35.9
151.11188	11.7
163.14766	4.3
167.14272	18.2
181.15790	9.9
243.21097	11.9
251.09996	3.8
261.22107	26.6
279.23151	66.9
353.14105	4.0
353.26825	41.1
371.28015	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	372.141
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	5.0
54.29813	2.0
55.01866	12.0
57.03415	8.4
58.06590	2.3
61.02926	15.8
65.03960	2.9
69.03432	38.9
69.89358	7.1
69.89769	5.4
70.06595	19.8
71.04993	3.2
72.08130	10.8
73.02899	9.1
79.05480	7.7
81.03420	19.2
84.04464	2.7
84.08138	12.6
85.02899	79.2
86.09714	13.8
87.04459	8.2
89.09147	2.2
91.03945	4.0
91.05415	21.2
93.07024	7.6
95.04936	3.2
97.02893	33.3
99.04435	6.4
102.04654	3.0
103.05461	23.4
103.37287	2.7
105.03349	2.5
105.07027	47.6
106.04214	2.9
106.07404	3.4
107.04963	9.8
107.18261	2.2
108.05708	2.3
109.02856	9.0
110.07181	4.3
115.05466	12.1
116.06251	5.1
116.07081	2.6
117.07012	4.8
118.04140	4.0
119.04917	19.7
120.08070	3.2
121.06492	20.4
123.04439	4.4
127.03890	21.9
129.10225	3.3
131.04947	32.0
133.06480	45.8
134.07312	2.2
135.04373	6.3
137.05965	17.5
144.05620	3.2
145.04945	10.0
147.04373	14.5
149.05957	27.3
151.03835	3.8
151.07513	14.5
151.31650	2.3
154.06244	14.6
161.05975	58.7
161.69095	2.4
162.06749	12.3
163.07536	72.5
165.05472	5.8
165.06883	2.6
167.07030	93.3
168.07458	4.5
173.05959	5.8
177.05457	9.3
179.06996	25.8
180.07759	3.4
181.08519	11.0
182.09378	94.0
183.09641	2.6
193.08618	18.2
194.09378	100.0
195.10007	4.5
201.05429	31.9
207.27614	2.8
208.07274	12.3
209.08086	35.1
210.08859	37.0
211.09358	2.7
251.50330	2.6
260.89664	2.7
265.08508	3.1
273.30048	2.3
293.08047	3.4
307.09656	4.2
325.10635	9.8
343.12079	2.7
355.11810	4.4
356.07260	3.1
372.07242	4.5
372.16409	3.5
373.18173	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	371.1486
Annotation	Fragransol D
Peak:m/z	Relative Intensity
53.03934	2.4
55.01878	1.9
55.05488	4.7
67.05496	4.5
69.03417	4.1
69.07061	3.0
69.30215	13.9
70.06576	7.5
71.04981	1.3
72.08152	4.6
73.04741	2.3
73.50375	1.5
78.04698	2.5
79.05481	10.4
81.03405	7.5
81.07043	7.3
83.04988	1.8
84.04492	2.0
84.08112	2.8
85.02927	3.3
85.06545	2.0
86.09699	9.5
86.59727	1.5
91.05379	10.2
91.05956	1.6
93.07027	6.8
95.04954	5.1
95.08579	3.3
97.02878	1.8
97.06509	2.1
98.97607	1.6
100.11247	6.2
101.06021	1.4
103.05464	4.1
105.07026	9.7
106.04161	1.9
107.04945	13.3
107.08585	4.6
109.02841	1.9
109.06528	2.3
109.10151	2.2
110.69171	1.2
111.04427	1.8
115.05431	5.5
117.07000	3.1
118.04173	1.8
119.04929	2.2
119.08559	6.0
120.08096	2.1
121.06520	3.9
121.10154	5.3
122.03618	2.4
123.04430	9.1
123.08026	1.6
124.05199	4.0
125.06030	2.3
127.03912	4.6
128.06232	4.1
129.06996	8.4
129.10248	1.8
131.04918	5.8
131.08530	2.5
132.05681	4.4
133.06464	3.7
133.10120	5.1
135.07986	1.6
135.11713	3.0
135.15317	1.5
136.07547	1.9
137.05966	17.2
137.09534	1.9
143.08563	1.7
144.05750	2.3
145.06476	3.7
145.10178	2.7
147.04396	2.3
147.08047	5.1
147.11678	1.6
149.05989	2.1
149.09595	2.6
151.03896	1.5
151.07529	3.4
153.05428	2.3
155.04826	1.4
156.05669	3.8
157.06473	3.9
159.08055	5.5
160.05135	2.7
161.05974	8.3
161.09633	1.4
163.07520	2.0
163.11203	2.7
165.09111	1.7
167.07018	100.0
167.10693	3.6
172.05133	1.7
173.13210	2.5
175.03842	1.4
175.07515	32.3
176.07964	1.6
177.05524	3.6
177.09103	2.8
178.07770	3.3
181.04999	1.6
181.06436	1.7
182.15471	2.2
184.05096	2.3
185.06058	1.4
187.07527	21.1
189.07014	2.5
189.09065	3.5
190.07768	1.6
190.20062	1.5
191.06992	12.6
191.08488	2.4
191.10591	3.5
191.14256	1.8
192.07684	1.4
199.07521	7.3
202.07716	2.0
203.08507	3.7
205.06563	2.6
205.08385	1.8
206.07271	3.3
207.08086	1.9
209.11594	2.7
210.14879	2.1
215.08669	3.0
217.08472	9.7
218.07310	4.3
219.08116	5.1
221.09608	5.7
226.71678	1.6
231.08049	2.9
233.09547	4.7
234.06735	5.1
235.07526	3.9
236.08238	2.2
238.70560	1.6
239.07219	2.5
246.06467	1.5
247.07503	3.5
247.09778	2.3
248.08371	1.6
249.09151	7.6
250.09859	2.9
251.07045	4.2
252.07782	1.9
259.07336	1.8
260.08264	2.5
261.09012	8.0
263.07010	3.8
265.08554	1.8
266.09262	2.1
276.72754	2.2
277.08569	6.2
278.09235	3.9
281.11554	6.8
285.07526	5.0
289.08536	5.1
293.11661	5.2
295.09537	1.7
300.09863	6.7
301.10602	1.9
306.08688	2.2
307.09583	2.9
309.11169	13.5
311.09244	2.0
321.11145	10.2
322.11777	3.5
323.09091	3.2
325.10751	2.5
326.11365	5.1
339.12225	2.9
341.13794	13.7
353.13815	10.0
362.27219	2.5
371.11096	4.8
371.14844	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	370.176
Annotation	Gly Phe Phe
Peak:m/z	Relative Intensity
54.38444	0.3
61.29126	0.3
63.59919	0.3
67.05477	0.3
67.64135	0.3
69.03403	0.3
70.06598	0.5
71.14033	0.9
79.05489	0.7
81.03415	0.3
81.07044	0.5
81.72914	0.3
85.02892	0.5
91.05473	1.1
93.07038	1.0
95.04962	0.5
98.97595	0.6
103.05447	2.6
105.07018	1.1
107.04971	0.5
117.07016	0.4
119.04967	0.4
120.08095	100.0
121.08418	2.4
121.10152	0.4
131.04976	0.4
137.05934	0.9
147.04343	0.7
148.07504	0.4
149.05978	0.5
165.55940	0.3
166.08617	9.5
167.07104	1.7
167.09030	0.4
175.07547	0.4
176.04214	0.5
177.10222	36.8
178.10532	1.3
178.69522	0.3
181.04996	0.5
187.07596	0.5
190.05920	0.4
205.09712	5.3
206.09894	0.3
207.06465	0.6
208.06909	0.8
215.97144	0.3
252.07524	0.4
296.09775	0.3
300.09903	0.3
313.15469	0.5
321.11185	0.4
326.11658	0.4
338.11328	0.4
353.13992	0.4
355.22626	0.3
370.13702	1.0
371.15009	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.2632
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	3.9
55.01864	5.6
55.05511	28.2
57.03441	27.0
57.07075	35.8
65.03303	3.5
67.05499	67.3
69.03416	5.7
69.07064	34.2
70.33727	15.4
71.08631	5.5
79.05497	29.8
81.03416	8.2
81.07049	64.4
83.04986	12.0
83.08604	12.4
85.10179	91.4
91.05484	40.6
93.07034	36.5
94.61008	3.8
95.04964	16.7
95.08604	51.0
97.06499	10.9
97.10155	10.4
99.08047	4.2
105.07046	28.8
107.04949	20.6
107.08603	26.6
109.06515	7.5
109.10142	28.1
111.08083	4.8
113.09637	100.0
119.08556	18.5
121.06501	4.4
121.10127	15.7
123.08038	18.3
125.09622	9.4
129.06999	6.5
131.08551	16.1
132.99561	8.9
133.10136	14.7
135.11685	9.4
137.09612	5.8
143.08606	5.4
147.11668	19.3
149.09616	34.1
149.13222	4.9
151.11168	4.0
155.10678	4.5
161.09575	4.9
161.13255	6.3
163.11160	10.9
165.12744	90.9
173.11725	5.9
175.11232	4.6
175.14928	4.8
176.98526	5.3
179.14233	6.7
187.00732	5.0
187.13313	4.5
191.00142	15.4
205.01692	10.7
231.21193	5.0
241.19585	4.4
243.06863	7.7
259.20587	11.0
277.21585	61.4
295.22723	16.5
296.83765	3.9
299.05887	7.3
312.40305	4.7
338.62070	3.8
351.25305	25.0
369.13544	5.6
369.26297	37.1
369.31653	40.7
375.25803	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	369.2634
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	4.3
55.01866	9.7
55.05509	74.1
55.52543	1.5
57.03433	28.5
57.07062	3.8
61.83816	1.4
65.03925	2.7
65.55879	1.5
67.05503	67.3
69.03418	2.8
69.07067	26.8
71.04613	2.1
71.04926	9.7
71.08237	2.6
71.08627	52.9
79.05492	40.7
81.03387	1.8
81.07053	100.0
83.04980	12.6
83.08614	57.5
83.09364	1.7
85.06515	6.6
85.10165	6.8
87.04457	1.7
88.01036	1.5
91.05477	43.5
93.07039	42.4
95.04974	11.3
95.08607	42.0
97.06528	17.7
97.10170	8.5
99.08089	47.2
105.06322	2.5
105.07024	39.8
107.08591	26.7
109.06529	10.6
109.10164	19.5
111.08067	25.0
113.06011	2.0
113.09635	10.9
117.07011	4.8
119.08583	28.4
121.10136	18.4
123.08053	5.2
123.11707	16.5
125.09601	4.7
127.07523	2.7
129.07019	5.6
131.08531	6.6
133.10118	21.7
135.11665	12.6
137.05986	2.5
137.09599	4.0
137.13223	4.8
139.11153	6.7
145.10106	7.0
147.11679	47.8
149.09612	7.9
149.13254	22.3
151.11191	13.4
153.12744	4.4
157.10120	8.9
159.11702	5.1
161.13257	13.1
163.11211	8.6
165.12743	26.9
167.14296	5.1
171.11693	5.6
173.11729	1.9
173.13210	3.0
175.11174	5.9
175.14792	5.3
177.12740	2.0
179.14316	11.0
183.13795	2.4
185.13240	1.7
193.12247	5.0
195.13776	2.4
204.68634	1.9
207.13866	3.3
221.15334	1.8
231.21109	4.0
241.19525	4.4
249.22096	5.1
259.20538	11.7
277.18454	3.4
277.21594	62.0
278.21982	2.1
295.22693	16.2
345.90472	1.7
351.14722	2.6
351.25418	8.0
369.26309	62.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	370.1704
Annotation	Unknow
Peak:m/z	Relative Intensity
52.22062	1.0
53.03943	1.4
57.15390	1.0
59.36718	1.0
60.00480	1.1
67.05527	1.3
67.08505	0.9
69.03413	1.9
70.06592	2.2
71.04984	35.9
71.19334	1.7
71.19688	1.7
73.04747	1.0
74.00887	1.0
79.13599	1.0
81.03423	1.3
84.04453	1.1
84.08114	2.4
85.02889	7.0
85.06536	4.1
86.09717	1.3
91.05442	1.0
95.04965	2.1
97.02867	2.7
100.18905	1.1
105.03398	7.1
106.03705	5.9
110.07212	1.5
113.05997	5.0
116.22839	1.0
127.03951	1.6
127.07550	15.0
131.07033	19.8
144.62280	1.2
145.08586	100.0
146.08929	1.2
166.08641	2.4
173.08086	3.9
175.03816	1.8
179.07129	1.7
191.09123	17.8
207.06526	2.0
208.06897	3.7
208.11804	1.6
285.00894	1.5
301.62814	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.2633
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	1.7
55.01870	2.5
55.05508	18.5
57.03431	13.6
57.07071	15.8
64.07265	1.0
65.03931	1.6
67.05499	37.3
67.39037	0.9
67.82477	1.0
69.03432	2.1
69.07068	18.7
69.88365	6.3
71.04980	6.7
71.08631	1.6
72.31417	1.2
75.74740	1.0
79.05486	19.9
81.03426	6.9
81.07051	42.5
81.07530	2.3
83.04980	9.3
83.08611	7.4
85.02889	6.3
85.06534	3.7
85.10176	30.0
91.05478	16.9
93.07040	22.2
93.07634	1.6
95.04965	12.6
95.08597	18.4
97.06517	3.7
97.10162	3.9
99.04456	1.6
99.08093	1.5
100.58908	1.0
105.07023	17.0
107.04963	5.3
107.08574	17.3
109.06505	3.0
109.10152	31.6
111.08091	2.6
113.05991	1.9
113.09637	30.4
117.07021	1.9
119.08591	6.9
121.10132	9.0
123.08080	3.4
123.11691	5.2
125.09631	3.7
129.06992	2.1
131.08566	5.5
133.10118	17.4
135.11678	2.1
141.12714	1.7
143.08505	1.5
145.10162	1.8
147.11688	5.6
149.09583	8.3
149.13222	1.4
151.11189	7.6
152.42557	1.1
153.12776	1.5
155.10728	1.3
161.13240	2.3
163.11191	3.1
165.12746	33.4
165.14131	1.6
167.14352	2.0
169.12248	7.1
171.11635	2.6
173.11691	1.2
175.11115	2.3
175.14830	1.6
179.14310	3.7
179.19499	1.0
181.12177	1.3
189.11198	2.0
189.12784	1.2
207.13844	2.5
231.20934	1.8
235.39835	1.1
241.19481	1.8
241.22166	1.2
249.22134	3.5
259.20584	3.6
277.21600	62.2
281.77695	1.2
295.22659	100.0
296.23105	3.7
343.64590	1.3
351.25409	1.2
369.26389	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	369.263
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03918	5.9
54.27242	3.4
55.01858	12.1
55.05504	84.2
57.03410	5.7
67.05494	54.4
69.07061	25.0
71.52489	6.4
75.75951	3.8
79.05486	23.9
81.03409	12.2
81.07048	62.8
83.04946	9.4
83.08606	100.0
84.08987	3.6
85.06522	5.4
91.05478	44.5
93.07025	32.1
95.04932	11.2
95.08596	28.7
97.06509	12.1
105.07030	33.8
107.08592	26.1
109.06508	7.9
109.10115	10.4
111.08063	35.1
117.06912	3.7
119.08580	20.5
121.10134	17.8
123.08020	5.2
129.07001	4.7
130.54201	3.8
131.08565	9.6
133.10114	43.4
135.11673	10.9
139.11148	19.4
145.10100	8.9
147.11676	24.4
148.80130	3.8
149.09581	9.3
149.13232	33.0
151.11147	15.4
157.10100	7.8
159.11694	7.8
161.13232	5.3
165.12752	16.9
167.14288	9.2
173.13281	5.4
175.11232	7.0
179.14296	5.2
193.12218	5.4
238.49255	3.9
241.19540	8.7
259.20642	18.5
277.21600	64.5
351.25363	31.3
369.19498	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	369.1939
Annotation	Unknow
Peak:m/z	Relative Intensity
51.50870	1.1
55.05505	8.8
56.96561	54.7
67.05496	3.0
69.07052	1.2
70.06569	2.2
71.08627	2.2
71.52858	1.6
71.95249	5.8
72.96029	2.7
77.31496	1.2
77.65781	1.3
79.05478	1.6
81.07034	4.0
83.08614	6.3
84.95999	2.3
85.06509	1.2
90.68396	1.3
90.97159	1.3
93.07042	2.8
95.08604	2.4
100.11227	1.8
107.08576	1.7
110.97601	2.3
115.00726	1.4
121.10107	1.4
123.01177	2.4
128.98586	4.1
137.02750	2.0
145.01627	1.8
146.99634	4.6
155.03766	3.7
157.01559	1.6
171.03308	2.1
173.04878	1.7
181.05324	1.7
185.04878	1.7
187.06389	2.1
189.04327	2.0
189.07944	2.3
195.06812	1.6
199.06444	6.7
201.07950	3.2
203.05862	5.0
210.14944	1.9
211.06444	2.6
213.07957	16.0
217.07460	11.4
223.10063	2.4
225.07877	7.0
229.07437	13.5
231.09047	24.4
237.07993	3.2
239.09549	6.5
241.11053	11.4
243.09093	7.4
247.08472	12.6
248.09111	1.3
251.09406	7.5
253.11250	1.9
255.09013	4.8
257.10553	6.1
259.12155	19.6
269.10587	52.9
269.13501	2.8
270.10767	2.1
271.12009	1.7
273.10065	3.3
282.13803	1.8
287.11618	29.4
292.12155	5.1
315.16190	1.5
333.17343	22.2
337.10556	2.9
351.18384	45.4
352.18784	2.2
369.19434	100.0
370.19888	3.0
374.20016	6.3
387.20499	94.5
388.20825	4.3
392.21017	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.2632
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	11.7
55.01851	15.2
55.05505	59.6
57.03431	22.1
57.07061	5.0
57.69566	4.4
67.05493	75.8
69.03419	9.6
69.07065	34.5
70.06593	6.1
71.04980	7.1
71.08627	41.3
71.52751	5.0
77.70953	4.5
79.05486	52.1
81.03407	9.0
81.07048	100.0
83.04979	13.1
83.08609	51.6
85.02889	5.8
85.06526	13.1
91.05466	46.3
93.07038	57.1
95.04944	12.4
95.08586	48.0
97.02924	4.6
97.06508	19.1
97.10155	13.9
99.08072	37.5
105.07021	42.3
107.04929	4.5
107.08574	41.0
109.06499	15.0
109.10133	19.5
111.04438	4.9
111.08058	18.7
113.09666	6.0
115.05491	4.5
117.07001	7.5
119.08565	27.8
121.10126	33.7
123.08028	5.5
123.11688	16.5
125.05946	5.3
125.09628	6.7
127.11128	4.9
129.07001	4.6
129.54683	4.1
131.08595	8.1
133.10091	18.6
135.11655	17.0
137.05957	29.5
137.09624	7.6
139.11150	6.0
145.10004	5.2
147.11691	39.8
149.09633	7.6
149.13205	21.1
151.11189	24.4
151.25827	4.3
157.10149	8.0
159.11708	4.8
161.13229	15.4
163.11189	12.8
165.12766	22.3
167.14223	5.3
171.11723	8.2
173.11678	8.4
175.11125	7.0
175.14836	6.3
177.12723	7.1
179.14325	6.8
184.83270	4.1
189.29121	4.4
193.12100	4.5
193.15939	4.3
241.19586	5.8
247.07477	4.7
249.21899	5.4
259.20526	8.7
269.17599	5.3
277.17938	11.6
277.21582	52.5
295.22595	11.2
296.36261	4.5
305.08090	4.6
337.10590	7.6
345.04672	8.1
351.25238	12.2
369.13373	13.7
369.26318	44.7
370.13431	5.0
393.32092	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	369.1908
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	5.5
55.01864	9.2
55.05500	11.0
56.05016	2.4
57.03434	9.1
59.05000	3.3
60.05630	2.6
61.02916	8.6
61.93689	2.6
65.14213	2.2
65.18550	2.5
67.05498	10.9
69.03429	36.5
69.07053	9.0
69.58224	2.6
70.06593	33.7
71.04984	8.2
71.52736	3.5
72.08160	6.9
73.02915	4.5
74.02434	2.8
74.06094	2.6
79.05492	10.8
81.03415	20.7
81.07063	11.2
83.04974	19.9
84.04498	4.2
84.08126	9.8
85.02435	4.5
85.02907	55.9
86.09704	18.6
87.04458	5.0
91.05482	46.1
93.07027	13.8
95.04964	18.5
95.08607	6.5
97.02894	22.0
97.06546	3.3
98.97654	2.6
99.04472	7.0
101.97041	2.6
103.03977	3.1
103.05471	5.0
105.07027	29.3
107.04969	4.6
107.08595	16.5
109.02855	18.0
109.04491	2.3
109.06525	13.4
109.10152	11.4
110.06104	2.5
110.07157	4.3
113.05924	2.2
113.60275	2.8
117.03456	2.2
117.07001	6.2
119.04943	35.3
119.08596	23.9
120.08092	13.6
121.06486	17.0
121.10129	16.8
123.04432	3.7
123.08054	5.2
123.11691	6.9
125.09628	2.6
127.03915	16.5
129.06960	3.7
129.10249	8.8
130.25543	2.4
131.04929	4.2
131.07733	2.5
131.08588	11.7
132.02020	3.1
133.06479	5.6
133.10112	30.6
135.08015	9.8
135.11658	3.3
136.07590	5.2
136.08839	4.3
137.05960	9.4
137.09586	16.4
142.07887	2.4
143.08554	9.5
145.02870	5.5
145.04935	11.3
145.06339	2.9
145.10129	11.3
146.07207	3.1
147.04396	31.7
147.08032	9.9
147.11707	18.7
149.06012	3.4
149.09605	48.0
151.07588	2.8
151.11182	100.0
156.09346	8.8
157.09959	4.6
159.08084	10.0
159.11668	4.3
161.05981	3.8
161.09608	21.0
161.13235	14.0
163.11156	38.0
164.45627	2.9
167.07100	4.2
171.11694	14.9
173.13188	4.4
174.10402	25.0
175.03891	46.6
175.07471	2.9
175.11134	6.2
177.05493	7.2
179.06972	4.0
179.10666	35.2
187.11186	4.8
189.09132	2.8
189.12738	91.5
190.13124	4.5
191.14293	67.3
201.05412	2.7
205.12144	11.8
207.06499	97.9
207.13780	90.8
208.06789	3.1
208.14186	3.1
277.08356	2.9
314.20502	2.4
315.08521	3.9
325.16238	2.7
351.10648	13.0
369.14429	4.6
369.19165	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	369.1906
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	5.2
55.01865	5.6
55.05503	4.7
57.03428	5.1
57.07062	2.5
61.02909	6.7
62.00458	2.1
65.03928	3.1
67.05486	9.6
69.03418	36.5
69.07064	7.0
70.06586	28.1
71.04984	6.6
71.06912	3.3
71.07783	6.1
72.08142	8.7
73.02919	3.6
74.65946	2.5
79.05473	10.2
81.03403	19.9
81.07055	10.9
82.53781	2.8
83.04982	23.4
84.04508	4.7
84.08147	11.4
85.02428	4.2
85.02901	52.5
86.09693	16.8
88.03973	3.6
91.05473	40.6
92.88891	2.3
93.07029	14.3
95.04971	15.5
95.08600	7.8
97.02888	19.5
97.06535	4.3
99.04420	5.2
103.03936	3.4
103.05460	4.5
105.07020	20.9
107.04955	6.2
107.08577	14.3
109.02859	13.1
109.06525	12.3
109.10118	11.0
110.07156	7.7
111.04446	2.2
116.15357	2.1
119.04943	42.0
119.08571	22.0
120.08131	11.4
121.06492	12.7
121.08321	2.4
121.10136	9.8
122.06089	2.7
122.07308	2.2
123.04418	4.8
123.08057	7.9
123.11685	5.6
127.03902	15.0
129.07001	4.0
129.10254	8.0
131.08534	7.3
133.06439	6.5
133.10133	28.1
135.04414	2.8
135.08047	7.5
136.07513	4.3
137.05952	10.1
137.09579	17.4
143.08565	5.5
145.02791	4.0
145.04944	9.5
145.10115	10.6
146.07243	3.0
147.04396	34.3
147.08020	10.3
147.11676	14.4
149.09612	30.7
149.51563	2.8
151.07530	2.9
151.11176	87.0
156.09326	6.2
159.08025	9.6
159.11691	4.0
161.06004	3.3
161.09602	19.2
161.13255	9.0
163.11191	33.8
165.09166	2.3
167.06987	3.5
171.11702	9.6
173.09618	4.2
174.10403	15.2
175.03897	56.3
175.11064	4.9
176.04231	3.0
177.05502	7.6
179.07060	4.5
179.10645	27.1
187.11087	3.5
189.12726	65.4
189.14433	3.9
191.14299	54.4
192.04187	3.4
201.05447	3.6
205.12245	9.4
207.06519	100.0
207.08426	5.1
207.13806	74.6
208.06818	7.0
245.25131	2.6
266.08353	2.5
297.66003	2.4
315.08240	3.5
338.11603	2.8
351.10904	17.4
369.14648	6.2
369.19028	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	369.1332
Annotation	10-Demethoxystegane
Peak:m/z	Relative Intensity
53.03930	1.9
54.55508	1.6
55.01849	2.3
55.05504	3.7
65.03932	5.4
67.05505	4.9
69.03439	6.8
69.07060	4.8
70.06588	3.3
70.84631	4.7
72.08137	1.4
79.05489	4.8
81.03409	3.9
81.07047	6.2
83.04988	2.4
85.02913	4.4
85.06580	1.3
86.09697	2.0
91.05466	13.4
93.07052	4.3
95.04974	8.0
95.08611	6.8
97.02932	1.5
97.06540	2.1
99.04449	1.8
103.05453	1.9
105.07015	7.1
107.04948	5.7
107.08585	6.1
109.02937	1.8
109.06483	2.4
109.10144	4.1
110.03671	3.7
111.04440	6.5
115.05441	3.2
117.07014	2.5
119.04933	9.0
119.08590	7.1
121.06498	3.6
121.10127	5.1
123.04393	8.6
125.05986	5.2
127.03923	1.5
128.06212	7.1
129.06995	4.4
131.04942	1.7
131.08562	2.4
132.05724	4.9
133.10129	4.2
137.05963	4.2
137.09595	1.8
138.03134	1.7
139.11153	4.1
140.04675	2.0
141.06978	4.2
143.08548	4.4
145.06491	3.0
146.40459	1.6
147.04402	11.1
147.08043	5.5
147.11725	2.3
149.05972	2.1
151.03999	2.0
151.07547	2.6
153.05457	9.8
155.07060	1.7
156.05693	3.3
159.08057	3.8
160.05183	2.6
161.05991	6.0
167.07034	5.7
168.05658	1.9
169.06467	7.5
171.08043	2.9
175.03844	12.2
175.07523	26.8
183.06552	12.8
184.05168	7.8
185.05989	4.4
186.06645	1.8
187.07565	3.1
189.07004	1.7
191.07033	2.7
191.08620	3.4
198.06628	2.0
199.07529	100.0
200.08075	4.4
201.05470	3.3
202.07819	2.6
203.08675	2.1
205.06523	5.1
206.07285	3.0
207.00496	2.0
207.06459	27.5
207.08107	3.7
207.10028	2.4
208.05276	2.0
208.08849	2.8
215.07013	3.1
216.07861	3.3
217.06508	3.6
218.07263	6.5
219.07974	11.9
220.08818	6.1
221.06035	5.4
221.09579	1.8
222.06779	2.3
231.08064	5.0
233.05988	1.8
234.06796	6.9
235.07516	10.5
235.09464	1.6
236.08208	7.6
237.08971	2.6
245.05981	1.8
246.06801	2.5
247.07591	8.0
248.08284	6.7
249.05521	3.8
249.09180	5.8
250.06226	3.3
251.06944	3.3
251.10661	14.3
253.08733	2.9
259.07523	2.3
262.06180	1.7
263.07043	7.9
263.10626	2.0
264.07745	16.6
265.08585	7.7
266.09338	2.8
269.08273	1.5
275.07083	3.6
276.07822	4.7
277.08630	10.1
278.09286	4.6
279.07211	1.7
279.10010	8.7
280.07269	2.4
280.10818	2.8
281.08157	6.9
281.11340	1.7
283.09363	1.8
287.07013	1.8
290.05862	2.0
290.09277	2.1
291.06711	1.9
291.10025	4.4
292.07333	4.2
293.08105	6.4
294.08792	4.7
295.09610	3.4
296.10156	2.1
300.09995	1.7
305.08142	7.9
305.11136	1.5
306.08719	2.2
307.06201	3.4
307.09589	26.8
308.10345	5.5
309.07584	3.5
309.11261	7.4
311.09082	2.8
311.12726	30.5
315.08524	8.5
319.09683	4.1
322.08453	2.9
323.09100	3.5
324.09906	6.7
333.20581	3.5
336.09766	4.4
337.10654	19.0
338.11298	2.6
339.08746	2.7
339.12238	57.8
340.12830	2.6
341.13870	3.5
351.12094	6.8
354.10922	2.1
369.09296	2.9
369.13306	29.5
369.20789	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.133
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.9
55.01874	3.3
55.05494	4.2
57.03429	2.3
65.03920	6.7
67.05479	7.0
67.46558	2.4
69.03417	11.3
69.07063	5.4
69.83203	12.8
70.06578	4.1
71.04988	3.6
72.08153	2.9
74.46066	1.9
77.61478	2.0
79.05487	6.3
81.03410	10.1
81.07038	11.0
82.04221	3.1
83.04990	3.9
83.06103	13.3
84.08141	5.3
85.02888	7.2
86.09702	5.6
91.05469	20.4
93.07028	9.0
95.04943	12.4
95.08607	7.1
97.02895	3.1
97.06496	2.9
98.88138	2.1
98.97546	2.2
103.05454	2.6
105.07015	10.1
107.04927	6.9
107.08549	5.4
109.02861	3.7
109.10149	2.7
110.03655	7.5
110.07138	2.7
111.04421	6.8
115.05450	5.1
117.07001	3.3
118.82561	2.6
119.04939	19.7
119.08560	9.5
120.08071	4.3
121.06440	3.4
121.10126	5.2
123.04412	8.4
123.08027	2.5
123.11674	4.5
125.05992	6.2
127.03925	4.5
128.06224	9.0
129.06987	3.9
131.04921	8.0
132.05673	5.8
133.06557	4.7
133.10149	4.7
135.11696	3.2
137.05930	10.4
139.11188	8.1
140.04597	3.0
141.07005	4.9
143.04880	2.2
143.08549	4.7
145.06430	4.5
145.10107	3.0
147.04388	22.3
147.08052	7.5
147.11678	2.7
151.07549	4.6
153.05447	19.8
155.04944	2.5
156.05666	4.0
159.08041	5.7
160.05206	2.6
161.05937	9.9
161.09575	2.7
161.30174	2.2
163.07553	3.1
163.11234	2.4
164.28226	2.2
165.06845	2.6
165.09129	3.3
167.07054	12.8
169.05110	2.4
169.06503	9.9
169.67079	2.2
171.07913	2.6
175.03902	32.5
175.07513	29.7
177.05464	5.1
177.06906	3.2
179.06961	5.3
179.08496	3.3
181.06363	2.4
183.04611	2.6
183.06502	11.4
184.05199	7.3
185.05965	5.8
186.06715	3.3
187.07475	7.4
189.05452	6.5
189.07007	3.3
190.07751	6.0
191.06952	5.3
191.08569	7.3
195.06407	3.1
196.14500	12.7
199.07523	100.0
200.08063	4.5
201.05440	6.3
202.07767	6.5
203.08650	5.5
205.06430	5.9
206.07352	6.8
207.06479	66.8
207.08063	4.3
207.13686	3.0
208.05247	10.8
208.08817	3.0
215.06976	5.4
216.07794	7.1
217.06393	2.8
218.07201	11.9
219.08078	17.6
220.08847	10.7
221.06006	6.9
221.09604	7.6
223.07668	2.7
224.13934	5.1
229.08589	3.3
230.07103	2.6
231.08052	8.1
233.05913	6.7
233.09641	3.1
234.06715	15.4
234.10435	2.6
235.07477	15.9
236.04602	4.1
236.08263	10.0
237.09109	4.6
239.06975	3.9
245.05968	4.5
246.06686	4.8
247.07472	20.9
248.08315	7.5
249.05428	4.4
249.09116	12.4
250.06264	2.8
250.09898	3.5
251.07076	7.2
251.10725	13.2
252.07607	2.5
259.07568	5.4
260.08331	2.7
261.05371	4.1
261.09000	6.6
262.06226	5.6
262.09790	2.4
263.06958	14.9
264.07822	23.1
265.08603	12.3
266.09348	3.0
267.10080	3.2
268.03677	2.7
269.08060	9.1
271.05930	2.1
275.07013	8.4
276.07791	9.8
277.08563	20.3
278.09271	9.1
279.06403	6.4
279.10114	14.5
280.07446	3.1
281.07990	8.9
281.11694	4.0
285.07675	5.2
287.06931	3.8
290.09210	5.5
291.06589	2.4
291.10019	8.9
292.07248	7.0
293.08008	12.5
294.08688	6.6
295.09647	7.5
296.10376	2.9
300.09912	4.2
305.08112	14.8
306.08682	4.1
307.09558	40.8
308.06912	2.6
308.10413	11.7
309.07700	5.0
309.11176	14.0
310.11990	2.3
311.09198	4.2
311.12692	40.8
315.08569	25.6
318.08899	4.1
319.09521	12.2
320.10355	3.5
321.11090	5.0
323.09097	8.7
323.12631	4.3
324.09698	12.2
327.11908	3.5
336.09848	9.4
337.10654	43.0
338.11319	9.1
339.12219	74.9
340.12714	4.6
341.13788	6.2
351.12329	23.3
351.21307	2.9
354.10864	5.3
369.13351	50.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.1177
Annotation	Cnidioside A
Peak:m/z	Relative Intensity
53.03923	2.8
55.01863	1.0
55.05499	0.8
56.96554	0.7
57.03422	1.8
61.02904	0.8
64.33646	0.5
65.03918	1.4
67.05498	0.8
69.03420	8.2
69.07032	0.8
70.06586	5.8
71.04969	1.4
71.52720	0.7
72.08135	2.0
73.02884	0.7
74.06067	1.1
77.03905	0.6
79.05481	1.3
81.03413	14.5
81.07032	2.3
84.04497	1.3
84.08120	2.8
85.02890	6.1
86.09697	3.4
88.04009	0.6
91.05470	27.3
92.05816	0.9
93.07034	2.3
95.04948	1.4
97.02892	3.1
98.97549	2.1
99.04424	1.2
102.05534	0.9
103.05472	0.6
105.03383	1.6
107.04932	1.2
107.08550	1.3
109.02866	5.5
110.07143	2.1
112.08695	1.0
112.80418	0.6
116.98592	1.1
119.04930	37.2
119.08510	0.8
120.05254	1.2
120.08070	1.1
124.07677	0.7
126.67039	0.6
127.03889	3.3
129.10223	1.6
132.02074	1.4
134.99622	0.9
135.04419	0.8
136.07559	2.1
137.05946	0.9
141.41989	0.7
145.02812	0.7
146.06018	0.7
147.04395	30.0
148.04659	1.0
149.02338	1.5
153.12682	0.8
157.04002	3.2
158.99608	1.0
161.06100	0.6
162.05478	0.6
162.50714	0.6
164.04684	1.6
164.07065	1.5
167.07008	1.0
174.33302	0.6
175.03891	53.1
176.04266	1.2
177.00702	1.2
179.06973	3.8
182.08064	1.5
189.09079	0.6
189.12750	0.7
192.04172	2.6
195.07767	4.8
207.06503	100.0
208.06781	2.2
225.07574	2.1
269.10522	0.9
309.09451	0.7
324.10199	0.7
351.10690	13.6
369.11456	4.2
389.15079	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.1177
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	4.0
54.95689	0.5
55.01849	0.8
57.03436	4.4
59.04997	2.9
61.21723	0.4
67.05495	0.6
69.03415	2.9
69.55009	3.7
70.06570	1.2
71.01356	3.2
71.04981	3.0
77.03928	0.9
79.05490	5.6
79.74431	0.4
81.03407	1.8
84.08111	0.6
85.02898	7.5
87.04457	5.2
91.05471	3.6
95.04963	8.3
97.02893	2.5
97.06512	0.8
98.20615	0.5
99.04446	2.8
103.03928	1.5
105.03383	100.0
106.03736	2.3
109.02869	0.5
111.04513	0.6
113.02344	1.0
117.05463	0.7
119.04926	2.5
123.04408	7.4
127.03947	1.1
137.05963	1.3
145.04901	0.5
146.65384	0.5
147.04376	3.4
152.06161	0.6
155.03415	0.6
155.07045	0.6
167.06992	0.7
169.05005	0.5
172.07306	1.4
173.04437	0.7
175.03902	4.7
179.07014	27.2
188.07071	1.0
189.07028	0.6
189.12749	0.5
191.08559	0.8
194.07146	0.5
197.08185	0.9
201.05530	0.6
205.06488	0.9
206.07277	1.0
207.06488	14.2
207.13684	0.8
208.05199	8.0
208.07028	0.7
210.06749	0.7
211.03906	0.6
218.07372	0.7
219.08115	2.7
225.05464	0.5
225.08995	0.5
230.07356	0.5
231.08041	0.9
233.05904	0.8
234.06723	1.4
235.07547	1.4
236.04703	1.3
239.07028	1.9
240.04268	1.0
241.08646	0.8
246.06848	0.9
247.07484	5.5
248.08363	1.7
249.05441	0.7
249.09142	1.6
250.06293	1.0
251.07103	0.7
252.07748	0.6
254.05788	2.1
255.06592	0.8
260.08340	1.1
261.08984	0.8
262.06198	0.8
263.07047	1.9
263.10718	1.4
264.07809	1.5
265.08682	1.9
267.06271	0.5
267.10138	0.7
268.03397	0.8
269.08063	4.2
271.05997	1.1
272.06738	0.6
274.06357	0.5
275.06964	2.9
276.07822	2.0
277.08752	3.0
278.05991	0.7
278.09323	0.9
279.06857	0.8
279.10165	2.2
280.07208	1.6
281.08005	1.2
281.11743	1.3
282.05521	1.0
283.05740	0.6
285.07617	2.4
285.10983	0.8
290.09314	1.7
291.07123	0.6
291.10162	2.6
292.07358	0.8
292.10751	0.8
293.08096	2.0
294.08813	1.0
295.09726	1.3
300.06708	0.8
300.09869	3.3
301.07147	0.6
304.07178	0.6
305.08102	2.2
306.08698	0.8
307.09683	2.6
308.10443	1.3
309.07559	1.7
309.11212	2.7
313.10641	2.8
315.08591	17.7
318.08926	1.6
319.09662	1.8
320.10419	1.3
321.07755	1.1
321.11246	1.7
323.09171	3.3
323.12503	1.3
324.09909	2.8
325.10837	1.4
336.09512	1.1
337.10623	1.6
338.11450	3.3
339.08597	0.9
339.12210	3.5
341.13660	0.8
351.12338	5.9
354.11038	0.6
369.13306	9.4
370.13574	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.1179
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22199	1.1
51.02366	1.6
53.03950	4.9
55.01871	1.9
55.05457	0.9
57.03434	8.0
59.04989	3.3
60.04523	0.9
61.02924	1.2
64.44447	1.1
69.03432	6.2
70.06583	5.1
71.01352	8.4
71.04978	9.4
71.27439	2.2
72.08144	1.7
73.02908	8.5
75.04484	1.0
77.03911	1.0
79.05506	5.2
81.03399	3.9
81.07062	0.9
83.04984	1.7
84.04488	1.3
84.08115	2.6
85.02901	22.8
86.09684	4.0
87.04446	5.4
91.05476	75.8
91.15524	1.1
92.05838	1.4
93.07063	1.2
95.01302	4.3
95.04945	7.7
97.02888	6.7
99.00822	2.0
99.04448	4.5
101.02359	1.1
101.71661	1.0
103.03970	2.2
105.03389	100.0
105.04516	3.0
105.06987	1.9
106.03660	1.0
107.04940	1.1
109.02861	1.6
111.04507	1.0
113.02338	7.2
113.05978	1.2
117.05548	1.2
119.04923	8.0
120.08115	1.9
123.00842	1.0
123.04422	6.6
127.03860	2.3
127.07554	2.5
131.03397	3.5
131.07022	2.3
137.05994	3.4
141.01796	5.3
145.08578	15.0
147.04416	8.7
159.03006	1.4
161.09633	1.0
169.04883	2.2
172.07327	1.6
175.03911	15.5
179.07019	26.2
191.05428	1.0
191.09169	2.7
193.08580	11.3
197.04370	1.2
207.06496	30.4
215.05420	1.9
235.09706	2.0
277.07190	1.3
277.84119	1.1
334.12854	1.0
351.10995	5.0
369.11639	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.2476
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	6.3
55.01867	9.6
55.05505	27.3
57.03437	20.0
57.07077	4.4
65.03936	4.6
65.72438	2.8
67.05500	64.4
69.03426	7.1
69.07065	36.0
69.21750	36.2
70.06593	6.1
71.05000	8.1
79.05489	41.9
81.07051	100.0
83.04988	7.3
83.08617	15.3
84.04506	6.3
84.08146	3.8
85.02924	6.5
85.06540	5.2
86.09727	3.7
91.05479	35.4
93.07029	41.7
95.04965	13.5
95.08598	43.8
97.02904	3.5
97.06537	16.4
97.10182	10.4
98.21512	7.5
99.08105	5.4
100.11248	13.4
105.07022	37.8
107.04960	8.6
107.08582	29.4
109.06513	11.1
109.10140	24.1
111.08051	4.7
117.07012	9.3
119.08562	28.7
120.08105	4.6
121.06517	3.5
121.10144	19.5
123.08084	7.6
123.11708	9.9
125.09702	3.3
127.07561	3.1
129.06984	3.7
131.08511	14.9
133.10130	25.0
135.08064	10.1
135.11713	10.7
137.09653	6.8
143.08568	4.9
145.10065	17.5
147.11678	21.9
149.02371	11.0
149.09554	17.4
149.13295	5.3
157.10120	4.7
159.11708	11.3
161.13290	6.6
163.03630	3.8
163.11220	10.0
165.09041	5.3
165.12788	7.9
169.10226	3.8
173.11708	4.6
173.13196	6.9
177.12715	3.2
182.15451	4.3
183.11604	3.3
187.14925	4.7
202.08670	4.6
203.14328	3.1
205.08739	3.4
210.14813	3.3
229.19478	4.6
247.04047	3.8
257.18988	4.9
275.20053	42.2
289.04810	3.5
293.07715	3.8
293.21149	6.4
306.09058	3.9
349.23785	7.1
367.11636	21.0
367.20810	13.0
367.24835	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	367.263
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03920	7.6
54.90542	5.0
55.05511	22.8
57.07063	11.8
67.05502	42.1
69.07035	20.7
70.61771	13.0
70.62120	6.4
71.04979	5.9
79.05499	27.1
81.07056	62.0
83.08589	6.9
85.06535	8.4
91.05457	51.6
93.07037	82.9
95.04962	41.6
95.08604	49.4
97.06528	10.7
102.93732	6.4
105.07027	79.8
107.08588	63.0
109.06505	16.2
109.10143	46.8
115.05466	8.9
117.06987	14.3
119.08573	100.0
121.06519	10.1
121.10127	41.6
123.11676	11.7
128.06223	13.9
129.06969	20.9
130.07735	8.5
131.08556	55.5
133.10124	48.3
135.07994	11.6
135.11674	18.9
137.09581	5.0
142.07753	20.6
143.08542	46.7
144.09320	8.8
145.10129	55.0
146.07257	5.8
147.08005	10.4
147.11661	21.7
149.09605	13.8
155.08568	14.5
156.09326	14.4
157.10114	53.4
158.10902	6.4
159.11650	31.5
161.09622	42.8
161.13245	8.1
163.11099	7.2
166.07542	5.4
169.10088	17.4
171.11752	24.9
173.09607	8.5
173.13216	20.2
175.14815	16.3
179.08449	8.4
181.10095	9.0
183.11656	18.7
185.13245	21.9
187.14725	6.7
194.10841	5.6
195.11687	11.9
197.13161	12.9
199.14716	12.9
201.12628	7.1
201.16405	7.6
209.13272	26.7
211.14861	7.8
213.16295	5.9
227.14297	16.6
239.17928	6.4
255.17331	7.6
266.19992	4.7
273.63400	4.4
349.25180	8.0
367.26016	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	368.0974
Annotation	Unknow
Peak:m/z	Relative Intensity
53.32103	0.3
61.02911	1.3
65.90763	0.2
69.03439	2.1
70.06586	0.3
70.58878	0.6
74.23585	0.3
80.97175	0.3
81.03421	0.8
85.02899	5.8
87.04469	0.3
97.02872	2.3
98.20937	0.6
103.75166	0.3
109.02854	0.6
127.03893	1.6
132.04433	8.6
145.04959	1.2
160.03899	0.4
161.62498	0.3
162.44313	0.3
169.05006	0.3
178.04974	65.8
179.05341	1.9
189.07343	0.4
206.04465	100.0
207.04781	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.2476
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	4.6
55.01858	5.2
55.05510	17.3
55.57584	1.2
57.03433	15.3
65.03933	2.5
67.05502	42.6
68.75584	1.2
69.07066	33.6
70.70660	3.5
71.04976	4.3
75.53003	1.4
79.05488	34.2
81.03394	1.4
81.07052	100.0
82.07362	1.9
83.04965	5.4
83.08610	10.5
85.06512	3.0
91.05473	21.5
93.07027	23.0
95.04961	9.1
95.08601	23.6
97.06536	8.5
97.10146	2.6
99.08092	4.1
105.07031	24.4
107.04939	5.7
107.08595	13.9
109.06516	14.7
109.10141	8.8
111.08055	4.6
114.40237	1.2
117.06999	5.2
119.08566	15.3
121.06465	2.8
121.10152	9.3
123.08059	7.0
123.11676	8.8
124.13966	1.3
125.09615	1.9
127.07516	1.3
128.06210	1.4
129.07002	2.4
131.08559	9.9
133.06531	1.8
133.10126	12.3
135.08035	3.3
135.11705	6.3
137.09590	3.3
139.11192	1.5
145.10138	7.7
147.11662	17.6
149.09657	5.9
149.13261	7.8
151.11192	1.4
157.10147	3.4
159.11707	6.4
161.13235	4.0
163.11162	4.6
165.12715	7.5
169.10078	1.8
171.11659	1.6
173.13245	3.3
175.11264	3.0
177.12724	3.9
180.51962	1.1
183.11626	2.2
184.64175	1.3
185.13161	1.6
186.93562	1.3
187.11313	1.9
187.14943	1.7
191.14259	1.6
193.12218	2.1
193.50522	1.5
195.13795	3.1
202.96272	1.5
205.11668	1.5
207.13715	1.9
229.19560	1.8
239.17986	1.8
247.20564	2.6
257.18964	4.2
275.20044	28.6
276.20438	1.4
285.64551	2.2
293.21091	5.4
349.23621	4.6
367.24783	26.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.2476
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	3.3
54.28783	1.2
55.01873	9.7
55.05507	27.0
57.03426	9.4
57.07059	2.4
65.03940	2.1
67.05499	36.5
69.03423	3.5
69.07066	20.1
69.78630	7.6
71.04983	4.3
77.68229	1.4
79.05482	35.8
81.03406	4.4
81.07047	40.3
83.04972	14.7
83.08604	15.2
85.02892	2.2
85.06533	2.5
91.05475	28.5
93.07038	33.8
95.04959	23.4
95.08604	20.8
97.06537	7.6
97.10165	6.8
98.20852	2.3
99.04441	5.3
105.07020	26.4
107.04955	10.5
107.08586	27.7
107.47398	1.4
109.06513	11.9
109.10150	11.5
111.04437	13.0
111.08074	4.6
117.07007	9.3
119.08578	18.7
121.06500	10.6
121.10139	17.2
123.08076	7.4
123.11709	4.2
125.05980	1.4
125.09629	6.4
129.07056	2.4
131.08565	14.2
133.06459	3.5
133.10123	20.1
135.08041	5.5
135.11725	7.3
137.09578	2.6
139.11166	2.4
141.06972	2.3
143.08569	4.6
143.10637	1.5
144.97247	1.3
145.06522	2.7
145.10104	15.1
147.08066	2.4
147.11650	11.8
149.09596	19.3
149.13219	3.4
151.11142	4.7
153.12646	3.0
155.08597	1.9
157.10072	3.0
159.11650	11.6
161.09624	3.3
161.13240	3.5
163.11142	17.4
165.12695	3.0
169.10162	2.1
171.11720	3.3
173.09575	2.3
173.13211	5.6
175.11176	2.5
177.12733	4.3
181.12206	1.5
187.11194	2.5
189.11186	4.7
189.12764	2.1
191.10565	1.7
191.14230	3.9
197.13312	2.1
199.14763	1.4
205.12247	4.7
207.13892	2.4
215.14574	1.3
215.17958	1.3
219.13817	1.9
223.13261	16.6
229.19456	3.7
239.17978	4.7
247.20555	5.6
257.18991	15.0
275.20044	100.0
276.20428	5.0
287.18677	1.4
293.21082	13.8
349.23703	21.3
350.24161	1.7
367.17654	1.6
367.24750	30.4
368.25183	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.2476
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	8.4
55.01870	31.2
55.05507	85.2
57.03435	35.3
65.65855	3.6
67.05499	90.1
69.03436	7.9
69.07063	53.8
70.97678	3.3
70.98041	8.7
71.04987	16.6
79.05488	83.9
81.03411	11.9
81.07045	70.0
83.04974	63.5
83.08614	58.7
83.09071	6.3
85.02902	14.0
85.06540	3.9
91.05470	48.6
93.07034	86.8
95.04963	100.0
95.08600	49.8
97.06519	19.3
97.10158	22.3
97.54060	3.6
99.04455	35.3
99.08069	4.3
103.05385	3.5
105.07037	47.4
107.04941	19.7
107.08578	83.2
109.06513	14.7
109.10123	28.4
111.04432	67.5
111.08066	17.6
117.06992	19.4
119.08571	37.4
121.06502	12.9
121.10142	51.2
123.08079	14.7
125.05998	3.7
125.09621	25.9
129.07011	4.5
131.08546	26.2
133.10133	27.0
135.08093	12.1
135.11685	20.9
137.09613	4.1
139.11151	10.3
143.08578	7.7
145.10098	31.9
147.07997	7.8
147.11632	16.2
149.09601	58.4
151.11154	4.1
153.09091	3.6
153.12698	16.0
155.08502	3.8
157.10005	4.5
159.11722	14.2
163.11179	52.6
165.12749	7.6
166.31403	3.3
169.10132	3.3
171.11687	6.2
173.13202	7.0
174.99049	3.5
175.11118	3.5
177.12732	4.5
181.12270	8.7
187.11244	6.8
189.11224	12.2
191.10638	6.2
205.12257	11.3
211.13242	5.5
223.13280	84.9
224.13768	5.7
229.19679	6.0
239.17960	7.2
247.20569	7.4
257.18936	15.8
258.80444	3.4
275.20035	97.8
276.20316	4.2
293.21088	32.8
367.24701	34.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.2475
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02375	1.9
52.72124	1.6
53.03930	3.8
55.01876	7.8
55.05506	24.7
57.03438	9.1
67.05504	37.3
69.03426	2.7
69.07064	18.8
70.78019	4.3
71.04970	3.0
71.75764	1.4
79.05489	29.3
81.03432	2.3
81.06590	3.3
81.07047	41.8
82.07375	1.4
83.04981	10.5
83.08612	17.0
85.06541	2.7
88.35522	1.3
91.05470	28.8
93.06485	3.1
93.07037	42.4
95.04969	14.3
95.08604	28.9
97.06516	7.1
97.10149	4.4
98.20824	2.2
105.07026	34.1
106.63247	1.5
107.04951	10.9
107.08586	20.2
108.46562	1.7
109.06525	9.0
109.10152	14.8
111.08042	4.3
114.84815	1.4
117.06993	10.5
119.08562	20.7
121.06509	11.8
121.10123	13.3
123.08038	8.6
123.11698	3.7
124.90856	1.5
125.09587	3.0
129.06976	4.1
131.08565	20.3
133.10120	22.6
135.08069	8.2
135.11676	10.3
137.09578	4.3
141.06926	2.2
143.08527	4.5
145.06400	2.8
145.10120	19.4
147.08057	3.3
147.11647	11.0
149.09592	18.2
149.13254	4.0
151.11191	6.8
155.08513	1.8
157.10135	2.2
159.08105	2.0
159.11700	9.5
161.09686	3.4
161.13188	4.6
163.11174	13.8
165.12712	2.7
171.11697	3.1
171.62355	1.5
173.09604	3.7
173.13200	6.5
175.11165	4.4
177.12756	3.8
183.11659	4.1
185.11591	1.4
185.13316	1.9
187.11038	2.1
187.14731	2.2
191.14345	4.3
197.13304	2.4
201.12766	2.9
207.13918	2.8
215.17752	1.8
219.13953	1.8
229.19576	2.9
239.17934	4.7
247.20580	3.6
257.18890	11.8
275.20050	100.0
276.20447	4.8
285.10068	2.2
293.21069	12.0
349.16925	2.6
349.23737	33.8
350.23849	2.6
358.16113	1.6
359.18790	1.6
367.17807	4.4
367.24753	29.1
368.25256	1.9
371.49731	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.2474
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	7.8
53.79260	1.6
55.01870	21.4
55.05505	59.7
56.05827	2.0
56.96304	2.0
56.96562	28.3
57.03192	2.4
57.03426	23.5
59.23066	1.8
60.05590	1.8
65.03905	4.5
67.05495	66.2
69.03407	6.9
69.07062	31.4
70.65519	5.4
71.04979	12.3
71.95245	3.7
75.68618	1.9
79.05486	61.3
80.05841	2.1
81.03399	10.0
81.07047	61.6
83.04976	38.6
83.08611	40.1
83.16262	1.6
85.02885	9.0
85.06516	5.3
91.05470	40.5
93.07034	58.9
95.04954	70.2
95.08599	32.2
97.06522	12.8
97.10161	17.2
99.04453	22.6
105.07021	36.9
106.07378	1.8
107.04929	14.8
107.07876	3.6
107.08580	58.8
108.08930	2.4
109.06504	12.6
109.10139	19.9
110.97577	3.4
111.04427	43.2
111.08094	16.1
113.05977	2.2
117.07011	12.4
119.08570	28.0
121.06522	10.6
121.09344	3.1
121.10142	37.8
123.08047	7.7
123.11649	4.4
125.05930	3.9
125.09615	17.9
128.98573	4.4
129.05469	2.7
129.06946	3.6
131.08543	20.6
132.15421	1.7
133.10133	19.8
135.08023	6.7
135.11679	15.8
137.09576	2.9
139.11131	5.4
141.06961	2.2
143.08568	3.0
145.10110	23.9
146.99628	4.1
147.07976	5.9
147.11681	11.6
149.09593	41.5
149.13263	2.3
151.11174	2.9
153.09087	3.8
153.12729	9.5
155.08492	1.8
157.10097	3.1
159.11662	10.8
161.09601	3.4
161.13249	5.7
163.11169	40.2
165.12756	5.7
167.10605	2.8
169.10019	3.3
171.11604	3.8
173.11754	2.9
173.13206	4.0
175.11157	2.5
177.12715	7.3
181.12198	5.6
183.11644	3.1
183.13782	2.2
187.11047	4.9
189.11226	12.7
191.10628	4.1
193.12207	4.0
197.13263	2.8
199.06419	4.6
203.05792	2.3
205.12280	8.8
211.13278	4.2
213.07915	7.5
217.07428	5.5
223.13257	64.7
225.07899	3.1
227.12732	3.2
229.07417	7.6
229.19499	4.1
231.08968	13.7
233.15483	1.9
239.09439	4.8
239.17821	4.3
241.11298	2.7
243.08983	3.0
247.08508	8.4
247.20624	3.7
251.09480	5.0
255.08952	8.0
257.10635	5.8
257.19031	12.3
259.12140	8.4
269.10541	24.6
273.10077	4.9
275.20032	74.4
276.20422	3.2
279.08865	2.0
287.11639	15.2
293.21085	21.8
297.09845	3.2
297.72073	2.2
298.10876	1.8
315.11182	3.3
331.15744	7.1
349.16821	16.1
349.23434	1.9
367.17825	100.0
367.24719	30.5
368.18332	9.0
368.25208	3.1
385.18964	18.7
386.19382	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.2476
Annotation	Betaenone A
Peak:m/z	Relative Intensity
51.70251	0.8
53.00268	0.8
53.03929	1.7
55.01872	4.2
55.05505	11.8
56.96557	1.0
57.03421	4.2
57.07059	1.1
65.03953	0.8
67.05497	21.4
69.03410	1.9
69.07062	14.4
69.27843	4.4
69.28259	2.8
71.04961	1.3
75.04456	1.1
79.05486	18.5
80.76548	0.7
81.03412	1.6
81.07043	25.3
83.04964	5.9
83.08610	4.7
85.06522	1.6
91.05465	18.9
93.07027	24.1
95.04945	7.1
95.08585	14.3
97.06513	3.7
97.10149	2.8
103.56544	0.8
105.07021	23.4
106.07378	1.0
107.04937	7.4
107.08585	16.0
109.06506	8.8
109.10155	7.2
111.08057	1.8
117.07011	6.1
119.08564	12.6
121.06476	10.8
121.10126	8.5
123.08050	4.5
123.11680	2.0
125.09631	1.4
129.06992	2.7
131.08549	15.2
133.06494	2.6
133.10123	17.5
135.08018	5.2
135.11681	4.2
137.09610	2.3
138.77921	0.8
141.06964	1.0
143.08537	2.2
145.06451	2.0
145.10109	11.1
146.99661	0.9
147.08066	2.8
147.11653	10.5
149.09624	6.1
149.13231	3.0
151.11157	4.0
155.08510	1.8
157.10100	3.7
159.08064	1.5
159.11627	6.1
161.09627	2.3
161.13202	2.6
163.11177	5.6
169.10112	1.3
171.11633	1.9
173.09744	1.8
173.13261	5.2
175.11157	4.1
177.12737	2.4
183.11693	2.2
185.13203	0.8
187.11140	2.5
187.14740	1.6
191.14272	2.9
197.13210	1.9
199.14812	1.0
201.12701	2.9
207.13780	2.4
213.16504	1.0
215.14209	1.7
215.17952	2.1
219.04604	0.8
219.13776	2.5
229.19446	2.6
231.17410	1.3
233.19095	1.2
239.17950	3.9
243.08841	1.1
247.20627	2.5
257.18982	15.6
275.20029	100.0
276.20331	3.7
293.21024	8.1
349.17255	3.7
349.23672	35.2
350.24136	1.9
367.17981	5.6
367.24777	21.7
368.18338	0.9
368.24905	1.8
385.18881	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.2475
Annotation	Unknow
Peak:m/z	Relative Intensity
50.28315	1.0
53.03946	5.6
55.01871	5.7
55.05506	17.1
57.03431	14.6
57.07055	2.0
62.15438	1.0
65.03928	1.9
67.05499	44.7
69.07063	33.1
70.70566	1.9
71.04969	3.1
79.05483	35.1
81.03418	2.1
81.07049	100.0
82.07367	1.4
83.04964	6.7
83.08615	12.2
85.06520	3.9
91.05473	23.9
93.07036	27.0
95.04979	6.8
95.08598	25.0
97.06524	10.0
97.10149	2.2
99.08067	4.5
100.26379	1.3
105.07019	24.1
107.04949	6.7
107.08590	14.4
109.06512	14.9
109.10145	10.2
111.08052	4.5
117.07009	5.4
119.08565	18.3
121.06442	3.6
121.10127	12.3
123.08087	7.4
123.11694	9.4
125.09630	1.2
129.06996	2.3
131.08549	10.2
133.10112	13.2
135.08025	2.4
135.11649	4.8
137.09604	3.5
145.10092	6.4
147.11671	18.4
149.09601	6.1
149.13222	7.3
151.11154	2.1
155.08588	1.3
157.10080	3.7
159.11682	9.8
161.13222	3.3
163.11194	6.6
163.14793	1.5
165.12782	5.3
171.11742	2.1
173.13258	3.2
175.11163	3.4
177.12715	2.6
179.94595	1.0
185.13205	1.2
187.14780	1.8
191.14442	1.3
193.12202	2.6
195.13724	1.4
207.14056	1.4
219.13681	1.2
219.28957	1.1
229.19597	1.7
239.17998	1.8
247.20578	3.9
257.18970	2.9
275.20041	26.1
276.20313	2.3
293.21014	4.7
349.23703	5.4
367.24750	28.9
368.25049	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.2475
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	8.1
55.01867	31.3
55.05505	84.0
56.96531	3.4
57.03430	34.1
59.05015	3.2
65.03936	4.3
67.05134	6.4
67.05497	100.0
68.71049	2.8
69.03418	5.9
69.07061	53.8
71.04982	17.1
71.08606	4.0
79.05485	84.8
80.05824	3.6
81.03406	11.7
81.07045	84.0
83.04968	53.2
83.08611	56.0
85.02891	20.8
91.05470	57.9
93.07034	91.5
95.04372	6.0
95.04956	89.6
95.08599	51.0
97.06525	14.5
97.10156	20.6
99.04446	31.4
103.46377	3.1
105.07008	46.1
107.04961	20.4
107.08581	78.5
109.06495	15.8
109.10144	34.8
111.04436	74.8
111.08073	13.6
117.07006	14.8
119.08576	31.6
121.06501	14.2
121.10120	50.9
123.08046	12.0
123.11668	6.1
125.09595	33.2
129.06995	6.8
131.08536	27.6
133.10141	25.8
135.08025	10.5
135.11671	23.1
137.09532	6.0
139.11145	6.9
141.09073	4.0
143.08533	4.4
145.10115	44.7
147.08046	8.0
147.11668	18.4
149.09615	60.1
151.11160	4.8
153.09053	4.4
153.12732	11.1
155.08485	4.4
159.11676	15.3
161.09520	3.9
161.13220	6.1
163.11160	53.3
164.70636	3.2
165.12740	3.5
167.10645	4.1
173.11800	4.3
173.13187	4.4
177.12785	6.3
181.12222	7.7
183.11780	5.5
187.11220	6.3
189.11252	15.8
191.10634	5.2
193.12256	6.0
205.12227	13.1
211.13356	6.7
223.13254	83.0
224.13707	4.9
229.19533	6.2
237.14696	4.2
239.17899	7.0
247.20500	5.3
257.19046	14.6
275.20016	84.3
275.22791	6.0
293.21069	26.7
349.17267	3.6
349.23615	5.0
367.18005	11.7
367.24771	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	367.2477
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	10.1
55.01859	16.0
55.05508	73.7
55.45137	3.8
57.03428	26.1
57.93581	4.4
59.80893	3.7
65.03929	5.0
67.05502	100.0
69.03437	5.9
69.07069	28.9
71.04965	5.3
71.19838	8.2
71.20155	4.9
73.03490	4.1
79.05492	68.1
81.03408	10.0
81.07054	85.9
83.04975	20.2
83.08608	42.9
85.06505	4.3
91.05478	52.5
93.07047	66.7
95.04959	29.2
95.08596	49.8
97.06522	17.6
97.10159	9.5
99.08089	5.0
99.63485	4.1
105.07014	47.1
107.04951	19.3
107.08578	44.4
109.06511	12.1
109.10156	30.7
111.08092	15.0
116.98466	17.5
117.06995	20.3
119.08572	42.3
120.08984	4.1
121.06516	13.4
121.10129	29.2
123.08079	15.3
123.11704	7.2
125.09623	12.2
129.06963	5.3
131.00035	22.8
131.08575	26.3
133.10118	33.8
135.08025	6.3
135.11696	15.8
137.09613	15.5
139.11148	5.0
140.98376	19.4
141.82417	3.7
143.00020	11.5
143.08565	5.8
145.10135	29.4
146.99655	3.9
147.11688	18.3
149.01027	9.6
149.09622	38.1
149.13284	6.5
151.11186	11.8
153.99187	4.8
155.00031	4.2
155.08664	4.0
157.01579	5.4
159.11658	11.9
161.01062	4.8
163.11185	35.4
165.12753	5.0
169.01595	5.8
169.10085	5.4
170.99507	7.8
171.11708	7.1
173.01137	11.5
173.09717	5.1
173.13258	9.9
174.98956	21.9
177.00598	11.2
177.12656	7.1
183.11734	4.7
185.01123	6.6
187.11240	6.9
189.00540	53.8
189.11192	5.8
191.02098	5.9
197.13219	5.0
199.02698	5.6
201.04179	19.2
203.02087	5.8
212.02184	5.5
229.19539	7.9
239.17955	7.4
253.07272	4.4
257.18985	13.2
275.07813	5.5
275.20059	57.3
281.06830	5.9
293.21155	8.4
349.23636	8.3
367.14044	19.0
367.24805	28.7
381.37311	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	367.2475
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	3.3
55.01871	5.1
55.05505	19.1
57.03428	14.6
57.07076	1.9
61.65277	0.6
62.54336	0.8
65.03933	2.9
67.05497	41.5
69.03416	2.1
69.07061	29.7
70.13474	2.6
71.04986	3.4
71.08600	0.9
79.05485	34.2
81.03406	2.4
81.07047	100.0
82.07371	1.5
83.04957	4.9
83.08610	11.4
85.02895	0.9
85.06544	3.5
91.05473	24.6
92.05790	0.8
93.07035	26.5
95.04961	6.5
95.08598	22.4
97.06519	8.5
97.10169	2.5
99.08071	4.3
105.07023	23.0
107.04955	4.9
107.08578	13.4
109.06509	13.2
109.07240	0.8
109.10152	8.3
111.08054	4.6
117.06998	5.4
119.08569	16.0
121.06487	2.4
121.10112	11.2
123.08089	5.7
123.11699	8.2
125.09628	1.6
129.06993	3.2
131.08553	9.8
133.10106	14.1
135.08051	3.1
135.11685	6.0
137.09645	3.5
137.13251	1.1
142.07794	1.2
145.10095	7.3
147.08040	1.3
147.11676	18.9
149.09627	6.6
149.13264	6.6
151.11150	1.6
157.10112	3.6
159.11664	5.9
161.09596	1.4
161.13234	3.7
163.11177	4.9
165.12714	5.9
167.03842	0.8
167.14313	1.3
171.11716	1.9
173.13239	3.1
174.80904	0.9
175.11171	2.3
177.12727	3.2
179.14223	0.9
183.10170	0.8
183.11813	1.1
187.11159	1.2
187.14792	0.8
193.12193	1.6
195.13774	1.8
207.13907	1.1
210.27745	0.7
219.13786	0.9
225.14647	0.8
229.19464	1.6
239.17845	0.8
247.20517	2.7
257.18860	2.6
275.20026	19.7
276.20404	0.9
293.21088	3.2
349.23727	3.4
367.24771	25.4
367.29456	1.3
368.25098	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1788
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01852	1.1
55.05492	2.2
56.96562	35.6
57.03407	1.2
66.81447	0.8
67.05467	3.6
69.03404	1.8
69.07043	3.6
69.28830	9.1
71.04965	1.0
71.95231	3.5
72.96018	1.8
74.97570	1.1
75.27583	0.9
79.05470	5.9
81.03397	1.2
81.06604	1.4
81.07048	18.2
83.08582	1.0
83.29495	0.8
84.96008	2.1
85.02898	1.7
85.06507	1.1
91.05446	3.9
93.07014	3.7
95.04940	1.3
95.08567	2.9
97.96801	1.4
105.07001	3.8
105.10757	0.8
107.08558	2.8
109.10109	1.6
110.97565	2.7
116.98590	1.6
119.08535	2.8
121.10117	1.9
123.01131	1.0
123.08028	1.3
123.11696	1.3
128.98611	4.8
131.08507	1.5
133.10080	2.4
134.99294	1.0
137.02747	1.3
145.10078	1.1
146.99646	5.2
147.11659	1.1
149.13164	1.3
151.11163	1.0
155.03726	1.6
157.10146	1.5
159.03265	1.7
159.11641	1.3
161.01137	1.2
161.09569	1.6
165.00732	1.6
165.02084	1.0
169.01784	1.5
171.03204	1.4
173.01224	1.0
173.04762	2.3
177.04112	1.0
178.96536	1.0
179.03770	1.0
185.04828	2.0
187.02815	1.1
187.06322	1.4
189.04271	2.5
191.05893	0.9
199.06390	4.3
203.05908	4.3
205.07434	1.7
211.06371	2.4
213.07938	9.1
213.64795	0.9
217.07423	9.0
219.08914	1.8
223.02757	1.4
223.08398	2.6
225.07829	3.4
227.05779	1.4
229.07477	13.1
231.09009	13.2
237.04314	1.0
237.07877	1.8
239.09456	3.8
241.11029	3.9
243.08902	6.4
245.15309	1.4
247.08531	14.5
251.09492	6.3
252.08932	1.7
255.08978	6.7
257.10498	4.0
259.12125	7.9
261.10037	1.5
263.16287	1.5
267.08890	1.1
269.10587	30.2
273.10129	6.4
275.19995	2.3
279.09067	1.5
280.09644	2.0
287.11612	15.0
292.12042	2.8
297.09946	4.0
298.10709	2.0
307.15662	1.6
313.14496	1.0
315.11032	1.7
331.15726	9.9
349.16818	21.3
367.17776	100.0
368.18179	3.7
372.18610	1.4
385.18954	25.4
386.19308	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1647
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.4
55.01859	0.3
55.05510	0.5
65.03931	0.3
67.05504	1.5
68.05019	0.7
69.03426	0.7
69.07065	2.7
70.06580	1.3
71.51930	0.3
71.52265	0.4
72.08141	0.6
76.03766	0.3
79.05482	0.4
80.05005	0.6
81.03400	1.0
81.07053	0.5
81.56641	0.2
84.08135	0.7
86.09693	0.8
91.05472	0.5
93.05852	0.4
93.07021	0.3
94.06561	8.3
95.04959	1.5
97.02841	0.5
97.06551	0.4
99.04501	0.3
105.07045	0.5
106.06443	0.3
106.36763	0.2
107.08580	0.4
110.06034	0.4
111.20164	0.3
112.07597	1.1
120.08067	0.7
122.06017	14.0
123.04404	0.7
128.06206	0.7
129.06953	0.3
129.10208	0.4
130.06477	0.8
134.06007	0.7
140.07054	12.5
141.96796	0.3
142.06517	0.3
146.05992	0.3
152.08798	0.3
154.06487	0.8
155.07262	1.0
156.08102	0.6
157.08853	0.5
158.05984	0.6
159.08034	0.3
166.30338	0.3
167.07094	0.3
168.08073	1.0
169.08849	0.8
170.05846	0.3
170.09627	4.3
171.10400	0.5
172.11221	2.3
180.08076	0.6
181.08812	0.5
182.09575	0.4
183.06781	1.1
184.07553	1.7
185.08371	2.0
196.07581	1.1
197.08347	3.9
198.09119	9.2
199.09892	1.2
200.10670	4.2
211.06400	0.4
212.07001	0.9
213.07739	0.4
226.08611	100.0
227.09238	4.3
228.10164	9.5
229.10510	0.4
349.13971	0.3
367.11807	0.4
367.15955	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.0548
Annotation	Unknow
Peak:m/z	Relative Intensity
52.07467	1.9
55.05511	3.1
56.96561	57.5
59.04989	4.8
60.04515	2.7
69.03417	8.7
69.56666	9.9
69.57064	5.3
70.06573	7.6
70.98106	7.9
71.53396	1.7
72.86957	1.7
73.02905	2.7
73.50720	2.1
74.97594	4.4
75.32700	2.1
75.86366	1.9
75.92187	2.4
79.75706	1.9
81.03396	4.3
83.04983	3.5
83.18354	1.8
84.04485	3.3
84.08119	4.0
84.96015	4.0
85.02908	14.5
88.99158	6.9
97.02871	9.9
98.21445	4.6
98.97584	19.2
99.04443	2.3
100.99136	6.0
106.47784	1.9
107.00173	2.7
110.07162	2.6
110.97563	5.2
112.08704	1.9
115.03941	1.9
116.98614	11.7
119.00168	7.5
119.01880	5.6
119.50190	1.7
120.08102	3.4
127.03883	2.6
128.98601	13.5
129.10202	2.1
131.01900	1.8
133.01715	6.9
134.99640	9.9
136.07574	3.8
137.01201	2.8
137.05913	3.7
144.98093	17.0
146.99637	14.7
147.04364	2.9
148.97517	2.8
151.02733	3.1
158.97450	2.4
158.99640	8.3
161.01199	7.5
161.02899	2.2
162.96933	3.6
162.99150	36.7
163.00496	4.1
165.00729	2.6
173.02812	2.7
176.98573	2.1
177.00703	13.5
181.00195	11.3
182.03281	3.8
186.96959	2.7
186.99004	3.9
205.00139	36.5
205.03334	2.3
217.01601	5.0
219.01765	5.8
219.05200	2.1
221.04932	2.9
223.01241	100.0
228.01790	3.0
234.99020	10.0
237.02795	10.4
241.02386	18.7
241.06494	8.1
241.56709	3.1
242.07228	2.3
246.02870	3.8
247.01237	51.1
261.58191	1.9
265.02307	58.7
266.02255	2.0
270.60205	1.9
277.02240	6.4
277.05603	3.8
279.03903	2.2
288.03864	5.5
295.03397	2.3
307.04861	15.7
309.08582	6.4
367.10062	2.5
371.09760	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	367.0203
Annotation	Unknow
Peak:m/z	Relative Intensity
53.69053	0.1
54.92818	0.1
56.96547	0.1
71.52416	0.2
73.68444	0.1
98.97561	0.2
101.00845	0.7
116.98631	0.2
119.01906	6.2
120.02011	0.2
134.99825	0.5
137.02945	3.5
140.98840	0.3
142.03519	0.2
153.00949	0.4
158.99884	0.5
165.99606	0.3
177.00931	17.4
178.01021	1.1
179.00926	0.2
182.99931	0.3
188.32730	0.2
193.04048	0.5
195.01978	0.6
199.02977	0.2
200.02554	0.4
201.00865	0.8
205.65239	0.2
210.99669	0.1
216.99174	0.1
217.04066	2.9
218.03841	0.2
219.01988	21.7
220.02147	1.7
221.01743	0.4
224.98679	0.3
225.00775	2.0
226.01186	0.1
227.99355	0.2
234.99933	0.4
236.00023	0.4
236.99693	0.4
242.03709	0.8
242.99449	0.3
243.01932	5.6
243.04208	0.4
244.02129	0.5
253.01163	0.2
254.01108	0.2
255.02060	0.2
259.00000	0.8
260.00183	0.8
260.04572	0.4
261.03030	100.0
262.00076	0.3
262.03156	6.8
263.03317	0.7
265.98633	0.1
266.03632	0.3
274.97714	0.2
275.04550	0.2
277.00952	1.3
278.01138	1.5
278.96103	0.2
279.00958	0.9
280.01346	0.4
282.99887	1.2
284.00049	1.8
284.04608	5.4
284.99762	0.9
285.04840	0.4
301.01053	2.4
302.01102	4.4
302.97943	0.2
303.00891	1.6
304.00845	0.3
316.32129	0.2
319.02115	0.2
320.02057	0.3
320.65250	0.2
321.01874	0.2
325.01682	0.3
325.65283	0.1
326.01199	0.5
330.30762	0.2
334.97745	0.3
340.98593	0.2
342.02084	0.5
343.02121	1.4
344.02106	1.9
345.01913	0.3
347.64893	0.2
361.03391	0.2
362.03171	1.0
367.02097	1.2
385.03149	4.4
386.03354	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2682
Annotation	Sarcotol acetate
Peak:m/z	Relative Intensity
51.53955	0.4
55.01859	0.5
55.05491	1.7
55.70362	0.4
57.07080	3.6
67.05499	2.6
69.03429	0.5
69.07072	2.9
69.54268	3.0
71.04980	0.5
71.08622	1.1
79.05468	1.7
79.13401	0.4
81.07056	3.2
83.04980	0.8
83.08620	0.9
85.06528	2.6
85.72235	0.5
91.05482	1.1
93.07029	2.3
95.08603	2.7
97.06522	1.2
101.87729	0.5
105.07008	1.4
107.08571	2.2
109.06495	1.9
109.10117	0.7
111.04427	1.2
111.08119	0.6
116.11088	0.4
119.08557	1.2
121.10153	1.1
123.08055	5.5
124.08826	0.9
125.06011	1.0
131.08514	0.6
133.10092	1.1
135.08049	1.8
135.11707	0.8
137.05943	1.1
137.09528	0.6
138.06746	0.5
145.10080	0.7
147.11671	0.5
149.09602	1.0
151.07529	3.9
151.11147	0.4
152.08279	2.9
164.08315	0.7
165.09094	14.7
165.10503	0.7
165.12662	0.6
166.09868	0.8
177.12714	0.5
179.10638	2.0
179.14278	0.5
185.04210	0.7
190.83282	0.5
191.10574	0.6
193.12210	0.9
195.13699	0.7
203.05235	1.2
208.14584	1.5
221.15326	2.6
235.16858	0.8
241.71336	0.4
249.18498	0.7
263.19986	3.0
269.16522	0.5
305.24734	4.4
319.26279	5.1
347.25775	49.4
348.26093	2.6
365.10614	3.4
365.26816	100.0
366.27130	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	366.2848
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	1.0
53.58335	0.6
55.01870	1.4
55.05513	3.6
56.05032	4.7
57.03421	1.2
57.98046	0.6
58.06572	0.9
60.04520	100.0
62.36729	0.7
67.05495	12.7
68.05025	1.7
69.03423	3.2
69.07061	6.8
70.06587	7.5
71.05000	1.3
71.52704	0.9
72.04511	3.0
72.08141	4.9
73.02928	1.0
74.06074	2.9
79.05495	8.0
80.05018	2.7
81.03416	1.6
81.07047	16.5
82.06573	1.1
83.04973	0.8
83.08599	1.6
84.04503	3.5
84.08139	5.4
85.02892	3.7
85.06542	2.1
85.08511	1.0
86.06059	1.2
86.09690	8.8
88.03933	0.9
90.05557	1.7
91.05476	10.7
93.07040	9.9
94.06541	1.3
95.04990	1.5
95.08599	11.7
96.08122	1.6
97.02903	2.2
97.06549	2.3
98.06035	1.3
99.08093	2.0
99.16626	0.9
102.05543	2.2
105.07027	6.4
107.04950	1.6
107.08580	4.8
108.04499	1.7
109.06491	0.9
109.10139	5.6
110.07158	2.5
116.07103	2.0
119.04929	1.3
119.08598	4.8
120.08083	9.5
121.06556	0.8
121.08433	1.0
121.10130	5.3
122.02380	1.6
122.06010	0.8
123.02779	0.9
123.08102	1.2
123.11668	2.1
124.07524	1.1
126.47292	0.8
127.03883	1.1
129.10251	2.6
130.06502	1.2
131.08560	2.6
133.10107	3.7
135.11684	4.6
136.06186	37.0
136.07552	6.5
140.07083	1.2
143.08522	1.5
145.10129	2.0
146.05968	1.0
147.09171	2.2
147.11662	3.0
148.06110	1.0
149.13266	0.9
156.07677	1.2
159.11679	1.2
161.13214	1.3
164.07001	0.9
168.06555	2.0
173.13284	0.7
177.16487	0.9
182.04527	1.1
182.08151	1.0
183.04805	0.9
196.05992	1.0
197.06398	1.6
204.08650	2.3
204.12419	22.7
205.12692	1.3
207.11308	1.5
217.19562	1.5
233.16331	0.9
249.16109	0.8
258.22162	0.8
276.23233	3.4
281.15073	3.5
294.24237	5.3
312.25327	10.9
330.26358	25.0
334.11325	1.1
348.27411	38.3
349.27805	1.2
350.13303	1.4
351.32724	0.8
366.13364	1.4
366.17807	13.0
366.28479	50.7
367.18161	1.3
367.28870	2.5
373.06287	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2683
Annotation	10-Deacetoxybarbilycopodin
Peak:m/z	Relative Intensity
55.05497	1.2
57.03421	0.9
57.07071	8.8
61.60115	0.5
67.05479	1.7
69.07063	1.9
70.21100	1.1
70.21498	1.4
71.08614	1.9
79.05466	0.5
81.07045	2.1
83.08600	0.8
85.06528	3.6
85.10190	1.1
91.05446	0.8
93.07027	1.4
95.08592	3.4
96.23933	0.5
98.13792	0.5
98.98463	3.6
105.07011	1.1
107.08581	1.7
109.06495	2.0
109.10139	2.0
117.07017	0.5
119.08546	0.6
121.10114	0.6
123.08032	3.5
123.11701	0.8
124.08815	1.6
125.06001	0.5
130.49289	0.5
133.10144	1.0
135.08052	1.7
137.05974	0.8
139.07652	0.5
143.08443	0.6
151.07545	4.1
152.08316	7.0
153.08945	0.6
155.01033	7.3
157.10045	0.5
159.52020	0.5
161.09564	0.6
165.09105	9.7
166.09860	0.6
173.98294	0.5
177.12793	0.6
179.10683	2.1
194.13022	3.5
197.28476	0.5
203.05257	1.3
207.13863	2.0
235.16890	0.8
237.61816	0.5
249.18460	0.8
263.20062	4.3
282.04550	0.5
319.26224	0.8
347.25815	17.8
348.26089	1.1
365.10547	1.8
365.26837	100.0
366.27194	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	365.2321
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	5.9
55.01859	10.6
55.05507	36.6
56.96566	27.0
57.03442	17.5
65.03920	4.9
67.05497	45.9
69.03440	16.3
69.07066	48.9
70.43176	11.1
71.04982	4.1
79.05489	49.0
81.03407	9.1
81.07050	88.7
83.04955	11.3
83.08592	12.1
91.05470	30.8
93.07040	38.3
95.04954	18.2
95.08603	22.6
97.02891	18.7
97.06528	6.4
97.10172	16.0
105.07014	21.9
107.04929	15.2
107.08574	23.6
109.06505	52.9
109.10151	18.0
111.04426	3.7
115.05394	2.9
117.06998	7.8
119.08564	22.5
120.08088	3.1
121.06493	7.6
121.10117	9.3
123.08051	9.4
123.11726	3.4
125.09627	15.4
129.07019	6.6
131.08543	13.0
133.06496	6.4
133.10112	16.1
135.08023	6.9
135.11617	5.2
137.09598	6.4
145.10092	15.9
147.08049	9.5
147.11676	9.6
149.09596	9.1
151.11142	4.0
157.10106	5.4
159.11702	4.1
161.09631	8.6
163.11095	7.7
165.08984	3.3
165.12619	3.3
171.11748	5.2
175.11087	4.9
189.11247	9.8
193.12328	3.6
205.12154	4.6
217.07422	9.4
223.13286	34.0
231.09102	4.6
245.18997	4.9
255.09135	4.9
259.08478	3.3
269.10553	32.1
273.09943	5.7
273.18466	34.5
283.82111	2.8
287.11624	13.3
291.19495	100.0
292.19705	3.9
297.61658	3.6
347.15698	4.6
365.16400	13.3
365.23196	47.8
383.17416	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	365.2295
Annotation	Unknow
Peak:m/z	Relative Intensity
51.33213	0.4
56.96558	0.8
58.50104	0.5
59.86951	0.4
69.25006	0.4
69.25353	4.6
72.54427	0.4
76.66592	0.4
79.05480	1.9
81.07043	1.1
91.05481	1.2
93.06992	1.0
95.01917	0.4
95.08586	0.7
98.97577	0.5
100.93244	0.4
105.07042	0.6
107.08591	1.2
109.10118	0.4
117.07004	0.5
121.10102	0.5
149.01274	0.6
157.10092	0.5
185.04131	0.8
195.09929	1.4
201.09625	0.6
203.05281	0.5
213.09824	1.1
219.10802	0.7
225.75441	0.4
227.08211	0.4
228.84090	0.4
229.09131	0.4
231.10786	4.1
255.14391	0.4
284.62979	0.6
315.17963	1.3
317.19794	0.4
333.19116	3.4
347.20825	0.5
365.10873	2.7
365.22968	100.0
366.23199	4.3
383.22818	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2316
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03917	2.1
55.01861	6.1
55.05508	28.6
56.96559	5.1
57.03437	11.8
62.73914	2.0
67.05500	27.1
67.21072	1.5
68.19930	1.8
69.03433	9.8
69.07064	43.4
69.83646	11.7
79.05488	26.7
81.03408	7.4
81.07050	22.2
81.07483	3.3
83.04957	4.9
83.08621	9.4
91.05470	16.5
93.07032	19.5
95.04951	8.2
95.08591	13.9
97.02895	13.6
97.06515	3.5
97.10144	15.8
105.07014	9.6
107.04938	6.3
107.08576	12.8
109.06494	5.6
109.10142	11.6
111.08052	3.2
117.07014	6.8
119.08547	9.7
121.06455	2.5
121.10136	7.6
123.08031	5.1
125.09615	11.2
129.06952	2.7
131.08568	9.0
133.06448	3.0
133.10117	5.2
135.08049	3.8
135.11670	2.3
137.09605	5.0
142.33618	1.8
143.08516	3.1
145.10097	5.3
147.07999	5.2
147.11681	4.2
149.09636	2.9
157.10219	2.1
159.11699	3.6
161.09595	3.5
161.13150	2.8
175.11119	2.9
177.12724	2.3
189.11203	6.0
195.13763	2.2
205.12289	3.1
223.13252	26.9
229.07372	2.2
249.14824	2.1
255.17352	2.4
263.19910	2.2
267.08948	4.0
273.18414	16.6
285.10046	8.2
291.19531	100.0
292.19919	2.0
299.83435	1.8
365.10239	5.0
365.14307	5.6
365.23074	74.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2318
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	5.7
55.01865	17.7
55.05501	18.6
57.03438	12.3
67.05501	37.7
69.03442	3.3
69.07061	9.6
70.06612	2.7
71.04986	3.5
71.10251	5.5
79.05484	45.0
79.83844	2.1
81.03411	7.1
81.07050	100.0
83.04971	24.6
83.08606	8.7
85.02910	12.9
85.06493	3.4
91.05476	28.8
93.07039	33.4
95.04964	14.4
95.08594	16.1
97.06535	8.9
97.09608	1.9
97.10172	11.3
99.04464	6.5
105.07030	19.4
107.04937	8.5
107.08595	13.3
109.06508	38.9
109.10156	12.8
111.04443	39.0
111.08039	10.1
115.05408	2.2
117.07030	12.7
119.08578	32.7
121.06505	11.0
121.10125	14.4
123.08082	12.6
125.09606	8.3
129.05435	2.3
129.06973	6.7
130.07794	2.1
131.08546	11.6
133.06511	2.9
133.10121	7.6
135.08032	7.6
135.11696	10.0
137.09587	5.4
143.08524	7.0
145.10120	19.2
147.08060	12.2
147.11688	3.5
149.09599	6.6
153.12761	12.9
157.10077	6.3
159.08011	2.3
159.11650	5.8
161.09586	8.2
163.11211	14.7
165.09109	9.8
171.11621	3.9
173.09557	2.8
177.12755	2.2
181.12154	14.4
189.11215	4.9
191.10634	6.9
191.78003	1.9
203.05185	2.2
220.76277	1.9
223.13292	5.9
227.12735	6.0
227.18033	2.2
245.18987	2.5
249.14854	4.7
255.17461	4.5
273.18472	32.5
291.19528	59.2
292.19379	2.7
347.22153	3.6
365.10379	6.0
365.23193	11.1
366.23557	2.1
380.25842	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2297
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96578	2.2
61.44535	1.9
67.05482	3.3
71.52815	2.5
79.05481	3.4
91.05479	3.0
109.99928	2.2
117.07014	2.3
124.54387	2.0
133.10123	2.0
133.67685	2.1
140.67458	2.1
145.10153	2.4
148.86298	2.0
157.21220	2.3
173.53702	1.9
194.72482	2.1
203.05374	3.1
229.07567	2.9
267.14349	3.2
273.18311	2.5
284.12827	2.6
285.15475	2.3
310.13577	2.1
315.15680	1.9
365.10443	4.9
365.22986	100.0
389.38995	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.1592
Annotation	zeaenol
Peak:m/z	Relative Intensity
53.03933	5.5
55.01860	8.7
55.05498	10.0
55.72251	2.2
57.03413	4.7
65.03934	3.8
67.05500	12.8
67.49914	2.3
68.99789	6.8
69.03424	54.5
69.07044	7.1
70.06574	2.3
71.01321	2.6
71.04979	7.3
71.46169	2.2
74.63263	2.6
79.05491	15.7
81.03425	24.7
81.07055	37.9
83.04977	8.5
85.02907	18.5
86.09720	3.1
87.00814	11.3
91.05475	27.9
93.07041	88.0
93.45175	2.6
95.04972	18.9
95.08588	17.0
97.02882	13.1
97.06529	3.2
98.21563	4.2
99.04459	3.6
101.02424	3.3
103.03957	2.7
103.58476	2.5
105.01852	2.8
105.07024	68.5
107.04937	8.2
107.08585	100.0
107.09312	5.0
109.02911	3.4
109.06506	12.2
109.10138	8.7
111.04440	7.2
115.03882	3.5
117.07030	11.5
119.04950	5.9
119.08566	37.9
120.08088	2.4
121.06480	18.9
121.10136	12.4
123.04403	2.7
123.08078	10.2
123.11720	3.4
127.03905	9.2
128.06224	5.3
129.01839	4.4
129.07004	12.1
130.07768	3.6
131.08549	18.9
133.06470	6.7
133.10109	26.0
135.04472	3.2
135.08060	12.0
135.11690	54.8
137.05984	3.8
137.09642	3.0
141.05518	2.7
141.06886	3.2
142.07732	8.7
143.08557	17.0
144.09219	2.6
145.06473	9.2
145.10110	34.0
147.08043	10.3
147.11667	30.3
149.05916	3.2
149.09581	8.4
149.13242	5.1
151.07520	4.4
151.11147	3.6
155.08560	11.7
156.09378	3.4
157.10106	17.3
159.02890	2.7
159.08018	11.9
159.11691	13.9
161.09628	8.8
161.13258	2.9
163.07541	5.5
163.11194	35.1
165.12767	10.3
167.08563	4.7
169.10097	8.7
171.08043	3.8
171.11702	7.9
173.09630	10.5
173.13272	6.6
175.11171	22.6
177.09108	3.6
177.12744	8.1
181.62888	2.4
182.10909	4.1
183.08086	3.3
183.11658	5.8
185.09645	6.7
185.13193	3.8
187.07629	3.7
187.11180	9.0
187.14786	5.1
189.12692	16.7
191.10587	4.4
193.12253	16.8
197.13245	10.1
199.11186	3.6
201.09074	3.0
201.12802	7.0
203.10677	3.5
205.12184	3.5
207.11774	3.3
215.10756	3.0
215.14261	19.6
217.12212	5.4
219.13817	6.3
225.12672	10.8
233.15373	7.5
243.13777	48.1
261.14841	78.9
261.82083	2.7
277.22360	2.6
279.15909	6.4
321.16989	4.5
347.14902	43.1
365.11160	4.4
365.15955	86.0
385.00601	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	365.1593
Annotation	Unknow
Peak:m/z	Relative Intensity
51.65549	2.8
53.03935	7.4
55.01863	15.7
55.05505	17.8
57.03427	7.3
61.02915	6.6
65.03923	5.8
67.05504	24.5
68.99774	10.1
69.03426	77.0
69.07052	12.5
70.06588	13.0
70.77460	9.7
71.01351	2.9
71.04981	9.1
72.08141	11.3
73.02911	5.3
77.03905	4.5
79.05487	33.6
81.03415	45.2
81.07055	48.0
83.04971	14.7
84.08139	7.9
85.02907	45.7
86.09692	16.3
87.00821	21.5
91.05473	58.4
93.07037	87.1
95.04973	26.3
95.08596	26.0
97.02882	22.9
97.06503	7.9
99.04465	9.7
101.02371	3.1
103.05495	6.5
105.01848	8.5
105.07016	100.0
107.04929	9.6
107.08580	86.8
109.02870	12.4
109.06507	19.3
109.10161	11.8
110.07162	3.9
111.04450	15.8
111.08025	3.9
113.02342	3.4
114.18843	3.8
115.03901	5.1
115.05415	6.7
117.07028	26.4
119.04929	7.3
119.08569	77.0
120.08095	9.7
121.06515	19.9
121.10127	22.1
123.04369	15.0
123.08070	9.3
124.07584	4.4
127.03937	15.5
128.06221	11.6
129.01791	6.2
129.06995	18.9
129.10266	4.7
130.07860	3.7
131.04924	4.1
131.08543	41.6
133.06523	14.0
133.07414	3.4
133.10123	60.7
135.04367	5.1
135.08040	12.8
135.11670	45.0
137.05972	11.4
137.09608	9.3
139.07555	3.4
141.06947	8.4
142.07751	15.5
143.08554	22.8
144.09326	4.2
145.06454	10.4
145.10123	59.0
147.08047	18.7
147.11693	50.9
149.05975	5.7
149.09636	8.2
149.13297	6.7
150.05476	13.5
151.07530	8.0
151.11189	5.8
153.05510	3.3
153.06920	3.6
154.05026	4.8
155.08540	18.6
156.09323	10.6
157.10123	29.7
159.02834	5.3
159.08051	11.6
159.11647	31.8
161.05994	6.3
161.09602	8.8
161.13245	8.1
163.07469	5.6
163.11159	24.5
165.12646	5.8
166.07755	3.0
167.06989	8.0
167.08525	5.9
168.09279	6.5
169.10120	11.9
171.07993	3.9
171.11641	15.8
172.08833	5.5
173.09622	13.6
173.13141	12.1
175.07594	7.1
175.11171	47.1
177.08981	2.8
177.12738	6.8
179.07002	4.3
181.10101	4.3
182.10918	7.8
183.11711	11.3
185.09613	3.3
185.13136	5.1
187.07469	5.3
187.11176	15.6
189.12695	14.8
191.08693	4.4
191.10667	3.0
192.09364	4.8
193.12236	13.4
197.09677	4.2
197.13284	18.3
199.11124	5.7
201.09087	6.3
201.12672	14.1
203.10667	5.9
205.12390	4.2
207.11548	7.1
213.12657	3.9
215.14357	21.1
216.89899	3.1
217.12230	9.4
219.13768	11.4
224.09171	18.5
225.12617	17.4
229.05025	7.8
233.15358	9.7
243.13799	65.5
261.07394	3.4
261.14850	73.6
262.00821	3.0
262.15271	3.1
279.15845	6.2
303.15927	4.2
329.13953	5.3
347.14926	30.3
365.11673	4.6
365.16016	58.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.1593
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	7.1
55.01860	10.7
55.05515	13.0
57.03428	5.1
61.02912	5.0
65.03929	2.5
67.05503	17.6
68.99779	6.6
69.03422	56.5
69.07050	7.9
69.49377	13.6
70.06593	3.3
70.71988	1.9
71.04977	6.8
71.40557	1.7
72.08144	2.4
73.02903	3.2
77.03892	2.4
78.26348	2.0
79.05483	25.6
81.03414	31.2
81.07048	44.9
83.04967	9.4
85.02901	24.7
87.00823	20.6
91.05472	41.2
93.07033	92.7
95.04964	23.4
95.08595	25.4
97.02877	18.0
97.06509	7.1
99.04430	3.1
103.05434	5.8
105.01868	2.8
105.07016	90.7
107.04964	11.7
107.08579	100.0
109.02841	9.5
109.06502	12.6
109.10152	7.2
111.04415	9.7
111.08037	3.2
115.03932	6.3
115.05431	6.0
117.01898	2.8
117.06979	22.7
119.04919	5.9
119.08574	51.5
121.06498	19.1
121.10139	17.5
123.04429	4.9
123.08056	15.0
123.11706	3.4
127.03895	8.9
128.06178	6.1
129.01828	8.4
129.07018	16.3
130.07753	2.7
131.04958	2.8
131.08562	28.1
133.06517	10.0
133.10120	38.2
135.04378	3.4
135.08069	11.7
135.11678	51.8
137.05957	5.3
139.07507	3.6
141.06929	4.7
142.07744	11.2
143.08530	19.4
144.09253	3.4
145.06511	7.4
145.10095	49.3
147.04402	2.1
147.08017	14.6
147.11658	41.8
149.05965	6.3
149.09605	11.9
149.13257	3.1
151.07489	4.2
151.11162	5.5
153.05458	3.3
153.06975	2.4
155.08522	13.3
156.09320	6.0
157.06418	3.4
157.10135	19.2
159.02856	3.2
159.08069	12.4
159.11678	21.4
161.05965	3.0
161.09595	11.4
161.13261	6.8
163.07494	4.7
163.11174	46.0
165.12769	11.2
167.06999	2.9
167.08505	2.3
168.09306	4.1
169.10129	8.3
171.08026	5.5
171.11719	10.9
173.09579	14.9
173.13261	6.4
175.07556	4.9
175.11162	27.3
177.09119	3.1
177.12619	10.1
179.10609	3.8
181.08539	3.3
181.10052	3.0
182.10875	4.5
183.08047	4.9
183.11685	7.9
185.09593	9.5
185.93958	2.5
186.10229	2.8
187.07539	4.9
187.11153	14.9
187.14777	5.0
189.08961	3.2
189.12718	21.0
191.10593	4.9
191.14377	5.0
193.12215	19.7
195.08047	2.1
197.09615	2.7
197.13202	10.1
199.11224	4.2
201.09109	9.3
201.12720	15.6
203.10692	5.0
205.12213	8.8
207.11739	3.5
212.09152	3.0
213.12689	3.8
215.10846	3.0
215.14316	26.9
217.12244	6.4
217.22281	2.1
219.13760	6.7
225.12717	16.4
231.13806	3.7
233.15349	7.8
243.13789	62.1
244.14188	3.0
247.51990	2.4
261.14844	91.1
262.15036	3.0
279.15906	7.5
289.56870	2.2
294.09424	2.2
321.17111	4.0
329.13907	3.9
347.14810	47.4
365.15933	88.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.1342
Annotation	Unknow
Peak:m/z	Relative Intensity
51.23885	0.7
55.01863	1.5
55.05495	1.7
55.14306	0.8
65.03926	1.0
67.05492	2.2
69.03416	2.2
69.07040	2.1
70.06589	4.0
70.47571	2.3
70.47917	0.8
70.78052	0.7
71.04977	0.8
72.08140	2.8
79.05484	1.8
81.03390	1.8
81.07054	1.5
84.04488	1.1
84.08126	2.1
85.02921	1.2
86.09689	3.2
91.05459	3.5
93.07030	2.5
95.04967	2.5
95.08543	1.3
96.04492	1.0
105.07027	2.9
107.04941	0.9
107.08573	2.0
109.02874	1.0
109.06499	1.1
110.06062	0.9
117.06969	1.1
119.08562	1.7
120.04498	0.8
120.08096	2.4
121.10140	1.1
122.05992	3.9
123.04424	1.4
123.08047	1.0
124.03955	1.1
128.06178	0.8
129.06920	1.0
129.10254	1.2
130.06561	1.0
131.08571	1.4
133.06593	0.8
133.10130	2.1
133.11113	0.8
135.11664	1.1
136.07523	1.7
137.05954	1.5
138.05484	2.4
138.98712	0.7
140.07002	2.0
144.08026	1.1
145.14842	0.8
146.09608	0.9
147.09129	1.0
147.11647	1.4
148.03893	2.1
148.07536	5.8
160.07579	2.2
161.05923	1.0
161.07127	1.7
161.09602	0.9
161.10802	0.8
162.05418	0.9
164.07071	1.6
166.04962	5.3
166.08675	1.2
168.06560	2.6
171.09198	2.6
172.07533	3.7
174.09154	2.5
175.07635	0.9
175.08702	7.2
176.07060	9.2
178.08591	1.9
182.08144	1.3
184.07643	0.7
185.07085	2.1
185.10789	1.0
186.09154	1.7
189.06570	1.1
189.10263	5.1
190.08647	2.2
191.08168	0.8
194.08221	1.3
196.07677	1.8
197.10370	0.8
198.07619	1.3
198.09224	1.7
199.08659	11.5
200.07098	5.0
200.08786	0.9
202.07062	1.3
202.08661	3.4
203.05281	0.9
203.08141	21.9
204.06641	2.0
204.08566	1.8
213.10193	7.5
214.08615	3.3
214.10495	0.9
216.10289	1.2
217.06474	0.8
217.09750	17.8
218.08063	1.5
218.10110	1.1
223.08701	1.5
224.07066	2.3
226.08879	1.2
227.08150	17.5
228.06564	3.0
228.08743	1.1
229.09714	1.9
231.11252	1.5
233.09146	0.8
235.10698	4.3
241.09705	12.7
242.08046	6.7
242.10150	1.2
243.11299	1.1
243.13727	2.0
244.09673	1.1
245.09213	59.0
246.07503	2.0
246.09503	1.5
247.10799	2.6
250.07101	2.2
255.07787	0.8
259.10760	13.7
261.14923	1.1
263.10254	32.1
264.10574	1.6
269.09238	4.4
270.07498	1.9
271.10846	1.4
272.09033	1.3
273.08725	3.9
277.11859	2.2
287.10229	24.3
287.13507	1.2
289.11850	1.6
291.09766	6.9
297.08832	1.6
304.11618	1.0
305.11285	100.0
306.11636	3.2
315.09760	5.7
322.34546	0.8
323.12332	27.9
324.12680	1.3
333.10791	21.4
334.11288	1.0
347.12228	1.9
365.13406	97.2
366.13742	3.9
366.17630	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.134
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	1.1
60.04510	1.1
67.05477	2.3
69.03408	1.5
69.07065	2.0
70.06577	4.7
70.88375	2.3
70.88715	1.1
72.08136	1.5
79.05467	1.8
81.07030	1.6
84.04485	1.6
84.08141	2.6
86.09684	2.4
91.05489	2.4
92.66431	1.1
93.07037	1.4
95.04955	2.0
95.08558	1.3
96.04475	1.2
96.37268	0.9
96.50303	1.0
97.06513	1.4
98.20830	1.2
105.07013	1.0
107.04886	1.2
107.08611	1.2
110.07122	1.6
115.07553	2.1
119.08549	1.6
120.04411	1.4
120.08075	2.2
121.10106	1.2
122.06005	3.6
123.04444	1.2
127.03890	1.0
131.08580	1.3
133.10118	2.0
134.06007	1.5
136.07587	2.4
138.05493	3.1
140.07011	2.6
143.08498	1.2
144.07997	1.0
147.08014	1.3
148.03923	2.1
148.07538	5.4
151.07520	1.2
158.05983	2.0
160.07574	1.6
162.05501	1.6
164.06992	1.1
166.05000	7.4
167.07068	1.1
168.06535	2.2
170.09717	1.2
170.20349	1.2
171.09242	2.1
172.07574	3.7
174.09126	4.0
175.08655	8.7
176.07074	8.0
176.09367	2.4
178.08720	2.3
182.08156	1.5
186.05551	1.5
186.09137	1.2
188.91066	1.0
189.10242	3.2
190.08650	2.9
196.07623	2.2
198.07712	2.5
199.08652	8.1
200.05511	1.2
200.06985	6.3
201.10219	1.1
202.08734	2.5
203.08157	20.4
204.06561	2.1
208.06090	1.1
213.08435	1.0
213.10150	5.0
214.08633	2.6
216.10228	2.0
217.09737	21.0
218.08144	1.2
218.10181	1.8
224.07028	2.4
226.08597	1.5
227.08173	16.6
228.06546	2.7
228.08589	1.3
229.09787	1.4
231.07664	1.8
231.11478	1.4
234.09967	1.0
235.10844	5.1
240.65750	1.0
241.09717	9.3
242.08075	6.2
244.09454	1.3
245.09215	54.7
246.07523	3.0
246.09718	2.0
247.10852	2.8
250.07057	1.2
259.10724	13.7
263.10242	36.8
269.09164	5.9
270.07568	1.3
272.09161	1.2
273.08713	4.6
277.11853	1.7
287.06940	1.3
287.10220	25.9
289.11899	3.0
291.09705	10.4
305.11282	93.7
306.11600	6.1
315.09790	3.6
320.12033	1.2
323.12372	34.5
324.12646	1.9
330.09619	1.6
333.10806	18.9
341.28165	1.2
365.13419	100.0
366.13809	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	365.1057
Annotation	Unknow
Peak:m/z	Relative Intensity
55.39677	0.1
57.28066	0.1
65.30644	0.1
71.51682	0.3
73.51449	0.1
77.60817	0.1
85.02882	0.1
88.09296	0.1
97.02850	0.2
100.25105	0.1
101.00855	0.1
107.20683	0.1
110.01434	0.1
119.01917	0.6
128.01407	0.1
131.01909	1.2
136.55429	0.1
137.01883	0.6
138.01842	0.2
143.01877	1.0
143.52020	0.2
144.36385	0.1
149.01875	0.1
152.02422	0.4
155.01895	0.3
158.02377	0.2
161.02974	0.6
164.02356	0.4
164.52586	0.1
170.02332	0.2
171.87933	0.1
173.02950	1.4
173.53056	0.2
179.02983	0.2
182.03461	0.3
185.04205	25.6
186.04521	0.3
194.03528	0.2
203.05255	52.1
203.54027	0.2
204.05457	0.6
210.13899	0.1
212.04538	0.2
221.06314	0.4
224.04547	0.5
233.05090	0.2
236.30676	0.1
244.07874	0.1
245.05115	0.8
263.06009	0.2
275.06335	0.1
285.19919	0.1
349.13464	0.1
356.67795	0.1
365.10522	100.0
366.06555	0.2
366.10883	2.9
385.67996	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	364.1598
Annotation	Unknow
Peak:m/z	Relative Intensity
51.37999	0.8
51.49646	0.9
54.72440	0.8
56.96559	1.7
57.62452	0.8
69.03432	1.0
70.06578	1.1
70.21835	1.8
70.22231	1.9
70.74426	0.9
83.04977	1.5
85.02883	2.4
94.62168	0.8
95.04933	1.2
98.97576	1.2
108.61742	0.7
109.05124	0.7
111.04437	9.8
116.98598	1.8
136.59656	0.8
146.22220	0.9
146.53662	0.8
154.01767	0.8
157.04955	100.0
158.99660	1.2
167.07114	0.9
177.00702	0.9
185.04250	1.3
203.05305	1.9
304.10849	0.9
365.10529	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	364.16
Annotation	Unknow
Peak:m/z	Relative Intensity
50.42300	0.8
56.05019	0.9
57.03439	1.2
58.92681	0.8
61.02913	1.3
69.03420	3.6
70.06582	1.0
70.34848	2.7
73.02917	1.3
79.05497	2.5
81.03410	1.1
84.08141	1.9
85.02899	12.0
86.09695	2.5
91.05479	1.9
93.07044	1.8
95.04977	0.9
97.02894	3.8
107.04958	12.3
111.75127	0.8
121.06493	5.0
127.03899	2.0
135.04410	15.7
145.04977	2.0
152.04700	7.4
167.07025	100.0
168.07448	1.8
173.05867	1.0
177.05388	1.2
185.08075	44.3
191.07016	1.1
203.05319	1.1
203.08202	1.9
209.08049	2.9
217.13701	1.4
251.09215	1.4
293.10071	1.7
305.22382	0.9
365.10526	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.2889
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04897	0.5
50.65976	0.5
53.03921	0.8
55.01855	0.6
55.05506	5.6
55.23477	0.5
57.07064	1.5
59.04979	0.7
67.05503	6.0
69.06681	0.6
69.07062	9.9
70.66251	2.0
71.04977	1.9
71.08612	0.6
76.88496	0.5
78.67748	0.5
79.05487	4.4
81.07048	11.0
82.96456	0.6
83.04983	0.7
83.08611	3.8
85.06525	1.1
89.06034	0.5
91.05475	2.8
93.07040	5.9
95.04940	1.0
95.08601	8.5
96.37181	0.5
97.06524	2.2
97.10161	1.1
98.72129	0.5
99.08092	1.4
99.21536	0.5
105.07028	4.2
107.08562	5.6
109.06505	7.5
109.10131	4.7
111.08080	2.8
119.08552	3.5
121.06565	0.8
121.10148	3.8
122.07306	0.8
123.08056	56.7
123.11681	2.5
124.08398	1.0
125.09575	0.7
133.10126	2.5
134.06728	0.5
135.08041	5.0
135.11700	2.0
137.09630	4.3
137.13234	0.7
145.10098	1.1
147.11670	2.2
149.09607	1.3
149.13231	2.0
151.11174	1.2
159.11674	1.4
161.13260	1.3
163.11087	1.0
165.12733	1.4
167.14296	0.8
173.13228	0.6
175.14856	0.7
177.12746	1.0
179.14308	11.9
191.10747	0.9
195.00676	0.6
203.10730	0.5
261.18484	1.3
275.20047	1.4
287.61179	0.7
289.25296	1.2
307.22702	8.2
331.26288	5.4
345.23871	0.7
363.28885	100.0
364.29239	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	363.2889
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	5.5
57.07055	1.8
67.05499	6.6
69.07063	10.1
70.65819	0.9
70.66171	1.6
71.04978	1.5
71.08612	0.7
73.06518	0.5
75.99369	0.5
79.05486	3.4
81.06587	0.8
81.07051	10.1
83.04980	0.6
83.08608	4.2
85.06520	0.8
91.05460	2.3
93.07024	5.8
95.08598	9.7
97.06509	2.2
97.10117	0.6
105.07053	2.6
107.08575	6.8
109.06500	8.9
109.10144	3.8
110.28777	0.5
111.08064	2.2
119.08577	3.8
121.10137	2.9
123.08056	60.7
123.11707	2.2
124.08378	1.3
131.08575	0.6
133.10123	3.0
135.08078	4.1
135.11664	2.1
137.09613	3.9
145.10106	0.9
147.11679	2.7
149.09619	1.3
149.13237	2.8
151.11185	0.9
159.11655	1.3
161.13237	1.6
165.12692	0.7
167.14308	0.9
177.12718	1.3
179.14288	11.2
193.15956	0.6
203.82281	0.5
233.18791	1.0
275.20038	1.3
289.25165	1.1
295.22720	1.2
307.22656	8.6
308.23193	0.6
331.26205	5.1
363.28894	100.0
364.29245	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	363.1644
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	7.5
53.47697	1.3
55.05504	2.4
57.03415	3.4
57.07074	6.1
60.04507	1.4
61.02906	1.7
61.89717	1.1
65.91838	1.1
67.05482	3.5
69.03426	18.9
69.07069	2.7
70.03754	1.6
70.06590	12.8
71.04995	6.3
71.52694	2.3
72.08138	4.7
79.05492	2.8
81.03414	33.1
81.07037	5.3
83.04934	1.4
84.04501	1.5
84.08140	3.3
85.02901	58.8
85.06541	2.0
86.09679	4.8
91.05464	4.8
93.07027	4.6
95.04932	2.2
95.08597	3.0
96.08023	1.4
97.02862	6.4
98.57996	1.3
99.04447	28.3
103.03935	54.1
105.07012	4.5
107.08560	3.3
109.02874	29.2
109.06474	2.0
109.10166	1.9
110.07143	1.5
112.08723	1.3
115.18848	1.1
119.08585	3.6
120.08080	5.1
121.10136	3.1
123.04459	1.2
123.08061	2.4
127.03909	100.0
128.04285	1.3
129.05527	1.6
129.10216	1.5
131.08588	1.7
133.10114	1.4
134.05954	2.1
135.04391	1.6
136.07587	2.7
137.05957	3.7
137.09622	2.0
140.07077	1.5
143.08591	1.6
145.04955	12.4
145.10110	2.3
147.04401	1.8
147.07982	1.3
147.16609	1.3
148.07509	1.5
152.07053	6.9
155.07047	1.5
162.05457	4.6
163.05998	2.4
164.07079	1.3
165.05371	1.2
166.08612	2.2
167.07014	3.5
173.13115	1.9
182.85742	1.2
187.05986	9.5
194.08124	4.9
197.43927	1.4
208.05978	2.6
248.36060	1.2
253.07094	2.6
271.07901	1.6
309.20584	1.5
345.10355	1.6
345.14328	2.4
363.15399	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.1643
Annotation	Unknow
Peak:m/z	Relative Intensity
52.16653	1.0
53.03937	6.1
55.01852	3.0
55.05489	1.8
56.05029	2.8
57.03423	3.9
57.07048	2.0
60.04519	1.1
61.01141	2.0
61.02914	1.6
64.23836	1.0
67.05479	1.5
68.05019	1.1
69.03425	20.4
69.07017	1.1
70.06583	9.1
70.39074	3.8
71.04977	6.0
72.08142	8.2
81.03407	33.8
81.07027	2.8
84.04491	2.4
84.08123	4.6
85.02892	61.2
86.09690	7.6
91.05479	2.1
93.07009	1.1
95.04916	1.2
95.08586	1.5
97.02863	4.2
99.04440	28.5
103.03928	60.6
104.05290	4.2
105.06991	1.8
109.02866	24.1
109.06467	1.3
109.10113	1.4
110.07184	1.7
119.08548	1.8
120.08066	5.1
127.03898	100.0
128.04358	1.4
129.10248	2.1
131.08531	1.6
135.07971	1.2
136.07549	2.0
145.04935	14.7
152.07037	2.1
155.11829	1.5
157.10146	1.5
163.06030	2.6
172.11459	1.1
173.11731	1.4
187.05960	10.1
203.12245	1.5
204.12302	1.5
217.13725	3.1
218.14046	5.9
239.08055	1.3
240.76115	1.2
246.13397	1.5
253.06923	3.4
271.08087	2.4
299.10220	1.6
338.48041	1.1
345.10669	3.7
345.14279	1.2
363.12064	1.3
372.26709	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.0411
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05013	6.4
56.96552	47.1
61.02912	8.1
69.03413	16.2
69.43770	34.0
69.44199	15.4
70.06564	9.9
72.08148	15.9
73.02905	7.6
81.03397	8.0
84.08131	26.7
85.01390	5.8
85.02909	35.4
97.02888	25.1
98.20749	6.5
98.97564	50.2
101.00875	13.7
103.02425	33.8
107.04912	7.8
116.98616	42.9
117.03990	21.0
119.01920	59.1
119.04930	7.3
121.01647	6.3
121.03481	28.6
122.01222	5.7
127.02471	7.2
127.03913	14.0
128.98610	13.9
129.00235	7.6
129.10228	13.5
131.00275	6.7
131.01895	39.4
133.03442	14.4
134.99667	27.3
135.04982	31.9
136.06035	6.6
136.07578	9.0
137.02994	13.3
137.05948	8.6
143.00172	6.5
143.01888	18.7
145.03473	100.0
146.99664	12.0
147.01349	48.0
147.05067	8.1
148.01302	7.1
155.01920	6.3
157.03465	18.9
158.99669	9.4
159.05019	10.0
161.01610	10.9
161.02924	80.5
163.04526	58.0
165.02438	21.8
171.05008	28.1
173.02975	36.2
173.06607	23.4
175.02837	9.2
175.04485	22.2
177.00774	19.8
177.05527	7.0
181.03474	10.4
185.02963	18.2
187.04518	42.2
189.00844	12.3
189.02478	32.0
189.04150	6.5
189.06093	20.8
190.95341	6.8
191.03918	12.1
191.07677	8.5
197.03024	34.5
199.04518	34.5
201.00618	7.9
201.04362	12.4
201.06085	42.0
203.04015	23.4
203.07559	8.0
205.05519	8.0
207.01807	8.0
207.03477	36.1
211.04489	10.1
213.05975	12.8
215.04013	73.6
218.98451	13.0
219.01817	21.4
221.05113	11.3
228.78244	6.8
229.05502	15.7
231.03645	14.3
233.05099	12.5
237.02905	18.0
241.01878	19.8
243.03737	9.9
243.07169	15.7
245.04970	12.3
257.05017	66.7
259.02982	17.5
260.99603	9.1
261.02438	8.6
261.04791	10.6
269.03403	7.0
271.50797	7.2
272.99728	13.3
273.04541	9.0
273.08270	13.4
283.03003	8.1
291.00540	7.9
301.04025	29.6
321.08511	7.5
345.02939	14.3
363.03885	9.5
370.58206	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	362.1596
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	1.2
55.01868	1.1
67.05499	2.3
69.03410	0.8
69.07070	2.3
70.06570	1.8
70.76226	0.8
71.53102	1.0
71.79927	0.8
72.08151	1.1
79.05070	1.2
79.05487	14.0
81.03407	9.5
81.07058	1.7
84.08118	1.3
91.05477	5.6
93.07062	4.7
95.04961	6.9
105.07016	5.6
106.30544	0.9
107.08590	9.9
117.07059	1.5
119.08580	2.9
119.45849	1.0
121.02894	2.8
121.06496	7.9
128.06195	1.2
129.07018	2.1
131.05045	1.2
131.08557	2.6
133.06488	1.6
133.10120	3.7
137.05959	1.0
141.06941	1.3
141.80484	0.8
143.08553	4.5
145.06480	2.4
145.10115	3.0
149.06099	1.8
151.07594	1.7
155.08588	1.2
157.06471	0.9
157.10104	2.0
159.08002	3.9
159.11734	1.4
161.05952	12.9
161.09596	21.3
165.06906	1.0
167.07022	2.1
167.08589	3.1
169.10143	2.6
173.09598	1.3
174.97003	0.9
175.07532	0.9
181.10143	1.9
183.11603	1.3
185.09601	5.3
187.11215	1.3
203.10736	0.9
203.25278	0.8
205.08589	1.4
207.11710	1.9
209.09645	1.3
211.11203	1.5
213.12514	0.9
225.12744	5.8
231.10077	1.8
235.11140	5.1
237.12842	4.1
249.11212	5.6
253.12180	7.2
255.13771	1.3
271.13290	11.1
281.11627	4.4
295.11856	1.2
299.12762	17.5
317.13812	100.0
318.14185	3.4
345.13434	1.4
362.15955	24.0
363.16132	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	362.1445
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	1.0
55.46273	0.5
56.05011	0.9
56.08932	0.6
56.96553	0.9
57.03416	1.8
61.02906	2.2
67.05487	0.9
69.03425	7.8
69.07053	1.8
70.06583	1.4
70.11761	1.3
70.12171	2.1
71.04974	0.6
73.02893	1.6
74.06072	2.2
79.05465	0.9
79.29637	0.6
80.05007	0.9
81.03399	1.8
81.07031	0.8
84.04486	1.5
84.08134	1.6
85.02901	15.3
86.09707	6.6
87.04426	0.7
91.03951	0.9
91.05467	1.0
93.05797	0.6
93.06999	1.1
93.61684	0.6
94.06561	4.5
95.04923	1.2
97.02886	5.4
98.06034	0.7
98.97570	2.4
99.04435	1.4
101.07097	1.5
102.05521	0.6
107.04940	0.9
108.08104	7.6
109.02889	1.7
109.06503	0.9
110.06051	3.9
111.08041	0.6
112.03941	1.3
112.07590	1.2
116.98579	1.8
119.04811	0.6
120.06548	0.8
120.08085	1.2
121.06488	0.7
122.05173	1.3
122.06017	19.8
123.04401	0.9
127.03903	4.3
129.10249	1.0
136.07576	17.5
137.05898	2.0
138.05463	0.6
138.09157	1.1
139.07529	2.3
140.07050	23.0
145.02878	0.6
145.04944	2.9
154.05167	0.6
154.08630	15.2
161.02888	0.8
164.07042	3.5
164.48650	0.6
165.05362	0.7
165.56581	0.8
177.00714	2.2
180.08882	1.0
182.03294	1.1
182.08118	22.4
183.08260	0.8
187.14415	5.0
191.03854	2.4
200.09163	100.0
201.00668	1.0
201.09465	2.2
201.12350	2.1
207.08022	0.8
208.08360	2.4
212.07947	0.7
215.13895	2.4
219.01822	1.1
234.07385	1.5
235.07431	1.3
236.07813	4.9
237.02855	1.2
240.07330	2.7
252.10371	0.8
253.10545	2.6
281.07144	1.1
282.08435	2.5
285.09479	0.7
298.12784	1.5
299.10852	3.7
308.69553	0.7
317.13602	1.0
327.10605	1.0
344.13120	2.5
362.08820	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.2946
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03956	4.9
55.05502	20.8
57.07059	8.1
67.05503	41.0
68.99782	7.6
69.03416	17.7
69.07068	44.4
69.82395	32.4
70.06580	23.7
71.04986	13.9
72.08150	14.4
73.02908	4.9
79.05495	26.2
80.89905	5.2
81.03381	9.3
81.07050	100.0
82.29148	5.3
83.04989	12.9
83.08617	8.0
84.08138	18.3
85.02898	7.8
85.06525	29.1
86.09698	39.9
90.85699	6.1
91.05489	25.1
93.07039	55.3
93.30168	4.8
95.04940	14.8
95.08594	57.6
97.02854	5.6
97.06519	10.3
97.10149	7.3
99.08078	13.4
105.07011	28.3
107.04937	5.8
107.08578	36.6
109.02845	10.4
109.06490	10.4
109.10165	40.4
110.07155	7.1
111.04412	10.8
111.08100	27.9
113.05997	6.0
115.07574	6.8
117.07002	6.2
119.08562	22.3
120.08102	18.6
121.06493	9.8
121.10144	28.2
123.11694	39.8
125.09583	5.6
129.10223	11.1
131.08539	10.2
132.95772	6.1
133.10075	14.3
135.11703	22.5
136.07562	7.4
137.09602	6.9
137.13243	9.1
139.11208	9.8
145.10068	8.4
147.11713	12.4
149.09593	6.7
149.13222	15.3
151.07561	6.8
153.12697	7.1
159.11606	8.5
161.06001	5.6
161.13200	13.2
163.14931	10.3
167.07062	17.8
177.16376	6.5
178.06244	12.2
179.06998	6.9
215.17929	11.9
221.18973	7.5
239.20016	9.6
272.14706	6.7
277.25150	5.9
289.25128	11.9
293.05228	6.8
307.26245	14.1
325.27222	5.9
328.05710	9.6
331.04434	16.9
346.06689	14.5
361.09009	72.9
361.13141	9.2
362.23935	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	362.1442
Annotation	Unknow
Peak:m/z	Relative Intensity
54.86065	2.2
60.04518	4.1
61.02925	6.9
63.06330	2.4
64.43045	2.3
67.05499	3.1
69.03417	11.2
69.21432	10.3
69.21858	15.7
70.06583	7.7
72.08155	4.0
73.02927	2.6
73.95827	2.1
81.03408	4.5
81.55392	2.3
84.04510	5.0
84.08120	9.4
85.02895	43.0
86.09691	9.7
88.03963	4.1
91.03936	6.2
97.02872	12.1
105.07003	2.6
109.02852	3.9
110.07109	3.9
117.03417	2.4
119.04945	2.8
127.03912	12.2
129.10228	2.6
136.07579	2.9
137.05962	100.0
138.06380	2.9
145.02783	2.9
145.04883	12.4
180.08714	3.7
183.06519	22.5
200.09055	5.2
216.11354	3.0
231.10063	2.7
239.39172	2.4
317.13620	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.1391
Annotation	Unknow
Peak:m/z	Relative Intensity
51.15238	0.7
55.05496	2.6
65.03936	4.3
67.05508	3.6
67.67967	0.7
68.99817	2.4
69.03424	1.6
69.07059	5.4
70.06588	3.6
71.04968	2.2
71.44458	0.8
71.44792	1.5
72.08138	1.3
73.49227	0.7
79.05496	4.3
80.05010	2.3
81.07062	8.1
82.06564	0.9
83.04960	0.9
83.08585	0.8
84.08145	1.6
85.02885	1.1
85.06523	1.0
86.09699	2.9
91.05471	2.3
92.05009	6.6
93.07033	3.5
94.06556	5.7
95.04951	3.5
95.08610	4.2
97.06527	1.4
99.08081	2.5
104.04967	2.4
105.05787	1.0
105.07012	2.8
107.04934	3.6
107.08578	2.6
109.06513	1.6
109.10155	4.2
110.06058	3.4
111.08099	1.0
112.07578	2.4
115.07560	0.8
119.08587	1.8
120.04462	9.1
120.08106	2.3
121.05240	1.4
121.10142	2.3
122.06027	13.2
123.11708	3.4
124.07566	9.3
129.10210	1.1
132.04486	2.0
133.05209	2.5
133.10086	1.6
135.04405	7.8
135.11665	1.8
137.13252	1.2
138.05466	4.4
139.11186	1.4
140.07068	14.0
140.08134	1.4
141.07813	1.8
142.08626	47.2
147.11705	1.1
147.39604	0.8
149.13202	1.1
152.06999	1.1
153.05418	0.8
154.08607	2.7
160.03871	1.8
161.04712	29.5
162.05505	9.9
163.03833	0.8
166.04945	2.1
167.07063	1.9
178.04958	1.1
178.06294	1.0
186.09134	1.5
188.03412	100.0
188.10751	1.2
189.04034	2.4
190.05016	2.6
190.08551	0.8
191.07213	0.9
198.09084	1.0
206.04475	59.6
207.05055	1.5
208.06111	2.1
210.08969	0.9
214.08609	2.4
216.10175	2.5
217.13568	1.0
220.06038	10.3
223.08688	1.0
228.10265	1.7
233.12851	2.8
241.07442	1.0
242.08122	3.5
243.11195	1.8
249.65057	0.8
251.08159	0.8
256.09564	4.7
257.07947	0.8
257.10602	0.9
259.10864	1.8
261.12311	10.7
268.08490	1.1
274.10712	1.0
279.13367	6.9
283.10403	1.1
284.09094	4.5
287.10263	2.7
294.73285	1.0
297.08701	1.5
301.11798	4.5
305.11243	2.8
311.10190	3.4
312.08591	1.0
319.12823	1.0
325.08191	1.7
329.11285	77.1
330.11560	2.9
331.04318	1.6
343.09186	6.0
344.09610	1.2
347.12399	6.7
361.09277	5.0
361.13782	3.1
361.23160	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	360.2739
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05495	44.7
64.20454	12.8
65.14817	13.1
67.05506	71.9
69.07039	49.7
71.04996	75.5
71.13705	25.6
79.05469	62.0
81.07035	64.3
83.08591	26.4
91.05473	26.5
93.07016	70.2
95.08572	36.3
97.10151	27.2
105.06980	12.7
107.08611	60.6
109.10133	48.9
119.08537	17.0
121.10155	71.8
125.09636	20.5
130.67236	13.5
133.10133	15.4
153.12733	36.3
154.98926	13.1
172.65324	12.3
173.11690	66.9
173.36992	11.9
178.06287	17.8
186.01517	13.4
189.11211	18.9
191.76215	11.5
235.71233	12.3
275.20004	47.1
297.77756	13.2
331.04404	24.6
346.06702	18.5
360.11371	34.6
361.09143	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	360.2741
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	24.3
55.82051	12.5
55.95715	14.6
69.07081	17.3
71.04984	22.6
71.52431	13.1
75.24966	14.0
75.54659	11.4
79.05506	17.5
81.07034	27.8
93.07051	15.9
96.73231	14.4
107.08604	21.6
119.34938	12.0
121.10163	25.2
123.43143	12.3
148.90074	13.5
153.12807	17.6
167.32841	13.4
173.11749	32.8
176.83029	12.9
178.06219	23.7
212.67715	14.1
275.20010	28.8
303.04831	14.8
331.04437	39.0
360.11557	24.3
361.09164	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	360.1493
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	2.0
55.01862	2.0
57.03420	3.5
61.02927	7.1
67.05503	1.0
69.03422	12.9
70.06592	1.7
70.83593	1.7
71.04986	2.7
72.08134	1.4
73.02913	3.4
81.03419	7.4
81.07021	1.0
84.04515	2.5
84.08115	0.9
85.02898	100.0
86.09708	1.2
87.04462	2.9
91.03957	7.3
91.05485	1.8
91.96445	0.8
93.06995	0.9
95.08594	1.1
97.02885	21.3
99.04458	4.1
101.02367	1.0
107.08575	1.0
108.72269	0.9
109.02872	8.1
112.54803	0.9
120.08126	1.0
127.03905	24.7
134.05981	1.3
136.07529	1.5
145.04948	59.4
151.07487	2.1
163.06000	21.0
167.07072	1.5
174.09175	1.1
177.00697	1.4
194.08118	2.0
270.12958	1.0
325.11298	2.4
341.79315	0.9
342.14514	3.4
360.11465	1.7
361.09082	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1698
Annotation	Grevilloside B
Peak:m/z	Relative Intensity
55.01865	1.2
55.05492	1.3
61.02924	2.2
64.07102	1.0
64.70361	0.9
67.05499	2.5
69.03426	5.9
69.07049	3.7
69.69852	6.2
70.06599	7.2
72.08148	2.4
73.02905	1.1
79.05513	2.4
81.03412	2.9
81.07062	3.2
83.04962	1.6
84.08137	4.9
85.02902	19.4
86.09696	18.5
87.05578	1.6
87.07550	1.1
91.05475	4.6
93.07043	8.9
95.04958	1.9
95.08615	2.3
96.41042	1.1
97.02887	3.2
99.04446	2.3
105.03380	2.0
105.07023	7.3
107.04935	2.0
107.08585	22.0
109.02850	1.8
109.10159	2.6
119.04924	1.5
119.08568	2.5
121.06510	2.3
121.10189	1.2
123.04383	1.5
127.03894	3.7
129.10240	2.7
131.08537	1.3
133.02802	1.4
133.10120	19.5
135.08060	1.3
135.11678	21.7
136.07610	1.4
137.05997	2.5
137.09560	1.8
139.38919	1.1
141.10193	1.3
145.04948	2.4
151.11163	2.2
161.09604	13.8
166.08603	1.3
179.10657	35.8
197.11723	100.0
198.12086	3.8
211.10794	1.4
212.09071	1.4
228.13414	3.1
246.14488	2.6
252.44180	1.1
262.67679	1.1
329.06650	1.7
359.11377	3.9
359.16534	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	360.2739
Annotation	Unknow
Peak:m/z	Relative Intensity
50.56705	7.7
55.05495	38.9
67.05504	60.0
69.07063	40.1
70.15195	34.4
71.04979	59.5
79.05478	65.2
81.07037	33.9
83.08621	12.6
85.02897	7.8
91.05453	15.6
93.07034	46.6
95.08595	24.3
97.06494	11.9
97.10142	26.6
105.07040	13.9
107.08588	45.4
109.10155	42.7
119.08578	10.8
121.10139	60.0
125.09627	22.0
133.10091	12.4
149.09642	10.2
153.12741	42.7
155.10655	12.0
159.11653	7.8
173.11691	100.0
189.11221	20.5
201.62085	8.0
275.19894	34.6
361.08975	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	358.1494
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	1.5
55.05484	1.3
57.39490	1.3
59.55415	1.1
62.33355	1.2
63.46460	1.1
69.03416	2.4
69.07059	2.0
70.06593	26.6
71.52409	2.0
72.08160	7.0
74.06069	1.4
75.81000	1.2
81.03429	1.4
84.04497	5.8
84.08141	8.5
85.02899	4.8
86.09708	16.0
89.03931	1.5
91.05436	1.7
95.04928	1.9
97.02874	2.5
99.91061	1.4
102.05524	3.1
108.04413	1.2
110.06026	3.5
110.07130	1.9
113.05980	1.7
115.05455	3.0
115.08688	1.2
116.07091	11.1
117.05758	5.2
118.06543	26.1
120.08126	1.5
122.06046	2.1
127.03892	2.8
129.10216	2.2
130.06511	3.6
130.08647	2.4
132.08086	100.0
133.08426	1.8
145.02841	1.6
146.05983	1.3
147.04323	1.8
150.05525	2.0
156.08090	1.7
160.07578	84.3
161.07889	1.7
170.11847	1.4
177.05469	2.8
178.08624	78.4
197.12917	2.1
199.10820	1.6
209.09111	1.6
215.13934	3.4
227.10229	1.4
234.60342	1.5
256.09973	1.4
269.70261	1.2
286.72174	1.3
307.26526	1.2
322.13028	1.3
340.13828	1.2
358.15268	1.6
359.12064	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1698
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	1.5
54.35037	1.2
55.05499	2.9
57.03428	1.8
61.02910	3.2
67.05502	1.5
69.03143	0.9
69.03428	9.3
69.07052	2.2
70.06585	11.7
71.04974	1.2
71.08051	2.4
72.07753	1.6
72.08144	29.0
73.02882	1.7
79.05518	1.4
81.03403	2.2
81.07030	3.1
84.04499	2.4
84.08132	4.4
85.02898	30.5
86.09698	17.0
87.04439	1.4
89.03899	2.0
91.03918	1.3
91.05459	7.6
93.07041	8.0
95.04944	2.4
95.08567	1.5
97.02908	5.5
99.04430	1.3
101.07098	1.3
105.07021	7.8
107.08582	21.7
109.02851	2.9
109.06505	2.2
109.10094	1.9
110.07134	1.1
115.25687	0.9
117.03364	3.0
119.08539	1.4
121.06470	2.9
123.04427	1.6
123.11733	1.2
127.03889	4.3
129.10219	5.5
130.08618	2.3
131.04982	1.2
131.08656	1.0
132.10081	1.0
133.10106	22.2
135.11671	23.6
137.05986	2.6
137.09570	1.7
143.11775	2.8
145.02831	9.5
145.04932	1.9
147.04391	1.0
149.05969	2.1
151.07619	1.1
151.11142	2.0
161.09615	10.9
165.05547	1.1
177.05473	15.0
179.10666	35.2
180.11014	2.4
197.11713	100.0
198.12045	4.9
201.12367	1.1
228.13461	1.7
231.16896	1.8
241.65811	1.2
329.06354	1.7
359.07382	4.4
359.11346	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	357.2996
Annotation	MG(18:1(9Z)/0:0/0:0)[rac]
Peak:m/z	Relative Intensity
53.13684	4.6
55.05264	6.6
55.05506	58.2
57.03425	15.5
57.07067	39.3
61.52398	4.7
67.05502	64.5
69.07060	100.0
70.06557	7.8
71.08629	26.4
71.52981	8.6
78.35995	4.8
79.05482	48.1
81.07050	75.7
83.08602	56.7
85.10172	11.4
88.07629	10.6
91.05488	5.8
93.07026	62.2
93.24947	4.6
94.61028	4.7
95.08600	82.2
97.06522	30.2
97.10155	46.2
103.03941	5.6
105.06961	6.6
107.08575	54.1
109.10149	50.9
111.08077	8.7
111.11686	11.5
121.10141	84.5
122.99421	4.7
123.11690	12.2
125.09637	9.1
135.11691	52.3
137.13197	9.1
139.11137	9.4
149.13249	31.6
151.14795	6.2
153.12703	8.5
163.14777	13.1
165.16325	6.1
177.16360	7.5
181.15912	5.1
191.17868	5.7
247.24208	61.5
265.25171	57.6
339.28903	36.7
357.30148	9.3
357.35544	60.7
358.36719	18.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	358.1131
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00283	0.6
53.03951	3.2
55.01875	3.0
57.03423	3.3
61.02925	2.8
65.03933	2.4
68.08340	0.5
68.99788	2.1
69.03427	15.1
70.06583	1.9
71.04994	2.0
71.21468	0.9
71.21796	0.9
72.08128	1.1
73.02906	4.8
73.14818	0.6
76.46080	0.5
79.05489	1.8
81.03415	18.2
83.01333	0.6
84.04516	0.9
84.08138	1.7
85.02901	28.7
86.09690	1.8
87.00822	11.4
91.03936	1.0
92.04999	5.3
93.05453	0.5
95.04961	1.0
97.02891	8.5
99.04440	5.9
102.05492	0.7
103.03932	2.3
105.01864	6.6
106.06551	8.9
108.04474	1.8
109.02876	13.9
109.05267	5.6
110.06036	100.0
111.04432	1.5
111.06372	1.5
116.07076	1.2
117.01859	2.5
120.04491	2.9
122.06009	5.1
127.03915	21.8
129.01825	2.5
129.10249	0.7
132.04453	0.9
134.06012	16.2
136.07545	0.8
145.04959	6.9
146.06062	2.7
147.02869	2.6
148.07584	1.6
150.42877	0.6
152.07057	12.3
154.43861	0.5
158.05988	0.7
159.02882	10.5
162.05486	1.3
164.07076	1.2
172.07532	4.3
176.07043	6.7
178.04953	0.8
189.03905	0.7
190.08620	1.2
196.09474	0.6
200.07060	7.6
213.03992	0.9
218.06189	0.9
218.08054	4.7
231.04961	3.7
236.09111	0.9
254.10201	1.2
304.08240	1.2
322.09265	3.4
340.10303	5.4
347.45187	0.6
358.11139	5.3
359.11942	0.8
383.47809	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.2996
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	60.3
57.03418	18.6
57.07067	38.2
67.05494	73.6
69.07065	92.4
70.06597	16.3
71.03029	20.6
71.03371	14.8
71.08639	31.7
78.83287	12.9
79.05477	41.2
81.07051	100.0
83.08600	63.9
86.07669	12.0
93.07030	55.3
95.08593	85.3
97.06516	26.1
97.10149	31.3
104.70654	12.3
107.08584	42.0
109.10139	38.7
109.81203	11.8
110.26112	10.3
111.08126	10.9
111.11712	22.2
112.73592	14.5
121.10152	92.1
123.11661	19.5
125.34137	10.2
135.11754	56.2
149.13237	24.8
177.16293	12.7
247.24297	73.8
265.25253	60.4
283.00137	11.1
339.28918	35.2
357.35458	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	357.2996
Annotation	MG(18:1(9Z)/0:0/0:0)[rac]
Peak:m/z	Relative Intensity
53.03924	5.7
55.01853	3.0
55.05508	69.4
57.03432	15.6
57.07074	48.4
66.79951	2.5
67.05502	69.1
69.07062	96.6
70.06579	8.8
70.13262	6.8
70.13659	5.1
71.04986	3.1
71.08631	28.0
73.02875	2.9
79.05486	51.1
81.07051	80.5
83.04965	6.0
83.08157	4.5
83.08615	70.0
85.10176	15.3
88.07612	10.4
89.07954	2.6
91.05466	8.5
93.07038	70.4
95.04924	3.5
95.08605	77.9
97.06526	33.2
97.10165	44.9
102.09187	3.2
103.03939	7.3
106.08640	4.3
107.08578	45.6
108.60894	2.4
109.10148	39.6
111.08075	13.4
111.11712	15.2
121.10133	100.0
123.11704	18.1
125.09607	6.9
125.13223	3.2
129.05501	3.5
129.09132	3.3
135.11682	72.4
137.13234	6.6
139.11148	5.2
143.14224	3.8
149.13252	33.2
151.14830	7.0
153.12732	5.5
163.14830	12.5
165.03894	2.7
165.16394	11.9
167.14296	4.1
177.16385	9.4
181.15781	3.6
191.17918	6.9
247.24197	84.7
265.25250	69.6
339.28873	50.8
339.34653	4.0
357.26398	4.4
357.30063	10.6
357.35510	93.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.2996
Annotation	Unknow
Peak:m/z	Relative Intensity
52.87684	1.6
53.61373	1.5
55.05507	29.5
56.97929	1.3
57.03411	5.0
57.07072	13.6
66.70066	1.4
67.05193	1.5
67.05499	24.5
68.55334	1.6
69.07060	33.0
69.39921	1.4
70.06592	8.7
70.17022	1.8
71.04971	1.8
71.06897	1.8
71.08616	10.9
71.44543	3.0
75.17126	1.3
79.05479	19.2
81.07040	27.6
83.04971	2.5
83.08610	24.0
85.10170	3.9
88.07632	9.8
89.07961	3.1
93.07029	20.6
95.08600	27.8
95.99352	1.4
97.06524	10.1
97.10155	14.5
102.09167	2.0
103.03925	2.6
106.08627	4.1
107.08565	18.1
109.10137	16.4
111.08042	4.3
111.11687	5.0
121.09329	2.7
121.10136	31.6
123.11686	5.4
125.09593	1.9
127.11151	1.7
135.11682	26.8
137.13213	2.6
139.11140	2.0
149.13248	11.4
151.14775	2.6
153.12749	2.7
157.12183	1.6
163.14810	4.7
165.16357	2.8
167.12773	1.4
177.16331	1.8
181.15622	1.9
191.17943	2.7
195.17427	2.0
223.31662	1.5
233.23007	1.4
247.24202	32.0
248.24620	1.8
265.25223	23.5
283.26239	1.6
339.28906	14.1
339.34537	5.8
345.93781	1.3
357.30759	3.1
357.35501	100.0
358.36270	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.2632
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	4.3
55.01867	3.8
55.05506	20.3
57.07058	6.6
59.22050	2.5
63.86212	2.4
65.03915	2.9
67.05506	30.9
69.03419	15.7
69.06741	2.6
69.07064	43.2
69.99360	4.5
69.99778	9.8
70.06598	11.5
71.04984	4.6
71.08628	3.3
72.08147	3.6
74.32825	2.7
79.05489	27.9
81.03426	4.5
81.07048	100.0
81.07529	5.0
83.04950	7.8
83.08605	14.7
84.08115	4.1
85.06511	5.0
86.09699	28.9
87.04476	2.5
91.05435	15.7
93.07040	46.4
95.04964	15.4
95.08598	73.7
97.06525	13.8
97.10182	12.0
98.20796	3.0
99.08080	15.8
100.11239	3.3
105.07027	29.1
107.04945	5.6
107.08588	57.9
109.06507	14.4
109.10145	62.3
111.04443	13.2
111.08059	8.4
111.11716	4.9
114.09172	6.1
115.05404	4.1
117.07018	4.9
119.08582	30.5
120.08096	2.4
121.06481	4.3
121.10128	40.2
123.08038	6.5
123.11681	26.5
125.06005	11.9
125.09624	7.7
127.11208	2.2
129.10216	3.2
131.08528	10.5
133.06516	2.9
133.10130	32.2
135.08034	7.6
135.11665	26.2
137.05984	13.6
137.09592	8.5
137.13243	22.8
139.07539	2.5
139.11169	25.6
145.06421	2.8
145.10143	14.7
147.08141	2.8
147.11668	20.8
149.09575	5.3
149.13287	14.8
151.03871	3.2
151.07506	7.7
151.11136	6.4
151.14760	3.0
153.01691	2.8
153.09070	5.8
153.12755	3.1
159.11685	14.0
161.09641	5.1
161.13245	11.9
163.11171	3.0
163.14813	5.2
165.09125	4.7
165.12773	2.5
167.07008	5.1
167.10640	3.9
169.08594	5.9
172.03914	9.6
173.13231	6.7
175.11139	3.7
175.14783	8.7
177.12723	3.7
177.16354	8.2
179.10652	12.3
187.14798	9.5
189.12721	2.9
189.16269	5.6
191.10616	2.4
191.17902	10.1
193.12216	6.6
195.17467	3.6
199.17996	6.8
201.16348	9.9
203.07027	3.8
203.17899	6.5
204.06595	17.3
207.13753	3.2
211.14893	3.0
219.07983	4.1
221.15332	3.0
227.17633	5.4
229.15880	5.2
235.07497	2.4
243.21124	6.2
247.16901	9.4
257.22626	13.1
264.07870	2.7
267.21008	3.8
275.23901	3.1
279.09723	2.5
285.22098	9.2
288.05612	2.5
303.23245	26.2
304.23526	3.2
307.09598	2.5
312.05621	3.0
321.24188	13.4
325.10550	3.2
339.11987	3.1
357.07587	8.3
357.13327	11.1
358.09375	3.0
358.13889	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	357.2631
Annotation	Unknow
Peak:m/z	Relative Intensity
50.70872	2.9
53.59861	2.8
55.01860	5.1
55.05507	21.8
56.45280	3.0
57.07077	4.8
58.78536	2.8
67.05505	24.0
69.03416	11.5
69.07065	33.1
69.18010	7.8
69.18407	31.9
70.06581	9.5
70.09571	3.5
79.05483	23.3
81.07046	100.0
83.08617	12.8
85.06535	4.1
86.09695	9.6
90.06160	2.7
91.05424	18.4
92.66083	3.0
93.07025	34.8
95.04961	13.2
95.08598	62.3
95.52629	3.1
97.06518	9.2
97.10178	3.8
99.04462	3.4
99.08082	14.2
103.05485	3.5
105.07024	29.6
107.04974	3.9
107.08578	53.4
109.06493	7.7
109.10143	50.9
111.04460	11.4
111.08077	4.6
111.11720	5.0
115.05515	3.0
117.07001	3.7
119.08560	27.7
121.06514	6.2
121.10130	30.3
123.08057	4.1
123.11678	29.0
125.05995	8.5
128.43268	2.9
131.08551	7.8
133.10091	20.8
135.08043	8.3
135.11667	23.9
137.05978	18.2
137.09618	7.7
137.13242	20.4
139.07547	6.0
139.11160	19.8
145.10114	11.7
147.08093	4.2
147.11665	18.5
149.09547	6.9
149.13249	9.1
151.07552	5.9
153.09062	4.0
153.12764	3.6
159.11697	9.7
161.09578	7.7
161.13248	8.6
165.09106	5.8
165.12784	4.6
167.07016	11.1
167.08284	3.1
167.14365	3.3
169.08589	5.5
172.03967	3.3
173.13287	7.8
175.11284	3.2
175.14842	5.7
177.05478	4.6
177.16394	8.8
179.10689	7.4
187.14874	7.9
191.17967	9.4
193.12233	7.1
197.13374	4.2
201.16391	7.5
203.07010	5.7
203.17963	7.8
207.13919	4.6
211.07558	5.5
219.07968	5.4
229.15915	3.8
233.15440	4.4
235.07333	5.3
237.09016	5.1
243.21092	5.3
246.06680	3.9
247.07446	4.1
247.16975	6.3
249.09038	4.8
257.22699	8.8
264.07516	3.0
265.08481	5.6
275.23846	3.3
279.10046	5.3
283.09702	3.4
285.22067	6.7
297.10999	5.8
303.23166	23.6
307.09628	7.3
321.24216	12.4
325.10690	13.5
339.12408	3.5
357.13419	30.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.058
Annotation	Unknow
Peak:m/z	Relative Intensity
50.72480	3.1
53.15923	2.5
55.06073	2.7
55.95520	2.7
57.08750	2.9
60.95851	4.7
64.58936	2.7
70.06596	4.0
70.82481	8.2
72.08120	3.3
73.88043	2.8
75.89509	2.9
84.08150	3.4
85.02895	8.3
86.09686	5.7
97.02873	4.1
104.98449	3.1
115.24978	3.1
134.00699	2.9
136.57979	3.3
140.76494	2.8
142.17799	3.2
150.98859	2.8
153.01337	4.5
169.57277	3.6
179.01259	3.3
219.01894	3.6
236.98903	6.6
254.99969	6.7
289.02496	5.1
298.80490	3.6
333.01584	7.5
357.05777	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.2839
Annotation	Unknow
Peak:m/z	Relative Intensity
51.10929	3.0
51.83332	3.4
55.05508	42.4
57.03428	13.3
57.06822	3.0
57.07072	15.4
62.39208	3.1
65.76614	3.2
67.05502	80.9
69.07061	56.9
69.24721	36.4
71.04948	6.6
71.08624	6.9
78.42335	3.3
79.05482	20.8
81.07051	100.0
83.04952	5.2
83.08613	35.5
91.05421	18.2
93.07031	31.0
95.08602	92.0
97.06522	11.8
97.10172	18.0
99.08128	6.0
103.03940	4.7
105.07041	14.4
107.08592	23.6
109.10151	43.7
111.08099	5.0
111.11722	7.0
119.08543	22.2
120.32735	3.1
121.10144	37.2
123.11684	27.7
123.48057	3.0
125.13309	3.8
133.10123	27.4
135.11638	19.7
137.13274	9.6
147.11684	18.1
149.13281	17.3
151.14853	9.1
161.13269	15.0
163.14822	22.4
165.16374	10.7
175.14807	10.9
177.16396	4.6
179.14323	3.7
180.21376	3.5
180.33896	4.3
189.16368	8.3
245.22652	67.5
263.23697	61.8
264.24274	4.7
285.01059	4.2
337.27271	33.4
355.28214	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	357.0151
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96564	0.9
60.35754	0.5
63.39024	0.4
69.92283	2.0
70.83341	0.4
84.96009	1.3
85.70023	0.4
98.97557	1.6
116.98589	1.3
119.01906	0.8
121.94009	0.4
122.97787	0.6
131.01945	0.5
134.99847	1.7
140.59500	0.4
140.98752	2.2
158.99844	4.7
170.99039	0.8
173.16360	0.4
175.56178	0.5
177.00937	72.6
178.01056	4.3
182.99823	0.8
189.00089	0.6
191.00534	0.6
193.04100	0.8
195.02002	1.0
198.98538	0.8
199.02930	2.4
200.02545	1.3
201.00952	2.2
203.00113	0.4
203.00732	0.5
203.02463	3.4
209.01295	2.4
213.00037	1.5
217.04059	62.7
218.04156	4.9
219.01985	48.2
220.02060	3.8
225.00607	0.7
227.02478	12.2
228.02586	1.0
228.98282	0.5
229.00349	2.3
234.99373	0.9
240.05714	1.8
242.03578	1.0
243.01997	8.8
244.02026	0.7
245.03551	100.0
246.03702	7.0
247.01506	8.6
247.03981	0.7
248.01532	0.8
251.78125	0.5
253.00304	1.9
255.01031	0.6
261.03055	17.2
262.03253	1.4
265.02316	0.7
268.05124	1.9
271.01468	43.7
272.01718	2.9
272.99335	1.6
284.04547	0.7
287.01126	0.5
289.02518	43.6
290.02679	3.4
291.00409	1.6
294.03131	1.3
296.99191	2.3
301.01578	1.3
312.04187	0.9
313.04230	0.5
315.00436	34.4
316.00592	2.9
319.96710	0.7
333.01492	95.8
333.97141	0.9
334.01617	9.1
338.01956	1.5
341.95724	0.7
342.45923	0.6
342.95569	0.9
344.49124	0.5
351.02231	0.9
356.03009	2.6
357.04181	0.7
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	2-Linoleoyl Glycerol
Peak:m/z	Relative Intensity
51.84738	4.8
55.05507	40.9
57.03426	13.0
57.07067	18.5
58.98036	5.4
64.11967	5.8
65.61676	4.9
67.05500	67.5
69.07063	52.6
70.22773	23.4
79.05482	23.6
81.07052	100.0
83.08609	36.0
85.06543	6.6
91.05476	22.2
93.07049	31.4
95.08601	78.1
97.06510	7.4
97.10172	22.0
98.20816	6.7
105.06991	8.0
107.08620	25.7
109.10149	45.5
111.11713	9.5
111.35909	5.7
111.82243	4.7
119.08537	13.3
121.10122	33.2
123.11707	21.7
133.10124	17.0
135.11646	18.5
137.09619	5.7
137.13206	11.1
141.56163	5.3
147.11694	17.5
149.13260	19.8
151.14838	11.7
161.13275	13.9
163.14830	11.5
165.16441	7.2
175.14790	11.9
245.22641	57.8
263.23660	60.9
337.27405	42.0
355.28186	14.6
378.79355	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	355.2838
Annotation	2-Linoleoyl Glycerol
Peak:m/z	Relative Intensity
53.03934	2.9
55.01868	2.7
55.05504	40.0
56.05819	1.3
57.03434	12.0
57.07070	13.8
58.93311	1.5
60.94466	1.5
65.03912	1.5
67.05499	80.9
69.07062	42.5
69.29933	3.7
69.30354	12.7
70.06576	3.6
71.04980	2.8
71.08628	7.8
79.05480	27.2
81.07048	100.0
82.07400	1.8
83.04952	3.5
83.08160	1.2
83.08608	31.7
85.06519	3.9
85.10149	2.0
88.07619	4.2
91.05431	18.0
93.07032	35.3
95.04945	1.8
95.08595	85.0
95.61372	1.4
96.08923	2.4
97.06514	12.2
97.10159	22.7
98.21519	3.6
99.08056	2.7
103.03941	2.2
105.07001	15.8
106.08678	2.5
107.08583	24.3
107.72758	1.4
109.10143	42.9
111.08052	4.9
111.11747	7.9
113.09651	1.6
119.08579	19.9
121.10132	28.1
123.08112	2.4
123.11691	24.1
125.09648	3.2
125.13228	3.3
127.11198	1.6
133.10107	19.8
135.11668	17.8
137.09555	2.4
137.13257	9.6
139.11087	2.4
147.11688	13.7
149.13243	12.7
151.14787	7.3
153.12708	1.7
155.14258	1.9
161.13211	16.8
163.14807	12.9
165.12726	2.0
165.16371	5.6
168.96107	1.7
175.14813	9.5
177.16310	2.9
179.17920	5.3
181.15816	3.0
183.87698	2.1
189.16380	6.1
203.18037	2.9
207.17459	1.8
211.68530	1.8
245.22629	46.2
246.22966	2.0
247.24002	1.9
263.23672	48.4
264.24051	2.2
265.24997	2.1
290.78409	1.7
291.63773	1.9
337.27267	30.1
355.28397	8.6
355.33899	2.6
356.35190	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	355.1723
Annotation	His Ala Gln
Peak:m/z	Relative Intensity
50.31383	0.4
50.69091	0.4
55.05493	1.0
58.54919	0.5
67.05489	0.9
69.03420	0.5
69.07052	1.0
70.06583	0.7
70.73390	1.2
73.04736	0.7
79.05486	0.7
81.07040	1.3
83.04951	0.5
83.08594	0.7
84.08111	0.6
85.91973	0.4
86.09703	0.8
91.05785	1.7
91.24675	0.5
92.60758	0.5
93.07025	1.0
95.04992	0.5
95.08592	1.0
100.07600	0.9
100.11243	1.6
101.00871	0.7
105.07025	0.7
107.08576	0.8
109.06544	0.6
109.10162	0.7
111.04446	1.8
114.51649	0.4
119.01855	0.4
128.07054	0.6
133.10129	0.5
133.70744	0.5
137.05945	0.6
140.07080	0.8
143.01904	0.8
161.02939	1.8
167.07033	1.4
175.07521	1.5
175.11217	0.5
182.15373	2.5
193.08633	0.8
201.03708	1.2
201.05499	1.4
205.08453	0.4
210.14856	3.9
224.68074	0.4
228.15977	1.1
234.06808	0.7
253.12968	1.1
277.08502	0.5
285.00995	1.1
288.56741	0.5
306.25684	0.6
337.10776	0.6
337.21112	1.2
355.17233	100.0
356.17554	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	355.284
Annotation	2-Linoleoyl Glycerol
Peak:m/z	Relative Intensity
55.01864	2.7
55.05503	32.9
57.03434	8.2
57.07074	12.6
65.03918	1.5
67.05500	73.1
68.05771	1.4
69.07060	46.1
69.36577	13.4
71.04964	2.1
71.08621	8.6
73.02914	1.5
75.04441	2.9
79.05070	2.0
79.05486	26.2
81.07048	100.0
82.07306	1.7
83.04960	1.7
83.08156	2.5
83.08612	32.6
85.06537	3.1
85.10163	2.5
89.87547	1.6
91.05461	17.0
93.06490	2.3
93.07034	31.2
95.08599	77.4
97.06514	10.0
97.10150	21.2
99.08057	3.4
103.03930	2.9
103.44555	1.4
105.07018	15.2
107.08580	22.0
107.86038	1.4
109.10149	45.0
109.10918	2.2
111.08046	3.1
111.11716	7.5
113.09631	2.8
119.08566	14.4
121.10138	31.2
123.07977	1.5
123.11688	19.6
133.10133	18.7
135.11693	15.9
137.09581	1.4
137.13220	7.4
139.11137	2.6
141.12668	1.8
143.32974	1.9
147.11685	13.9
149.13240	14.9
151.14813	9.1
160.65125	1.4
161.13243	14.7
163.14822	12.8
165.16396	8.1
167.14314	2.1
175.14795	11.5
175.32446	1.4
177.16359	3.9
179.17914	5.6
181.15831	1.8
183.13748	1.4
189.16351	6.2
191.03094	1.4
203.17979	2.0
245.22621	47.3
246.23053	3.1
252.96301	1.5
263.23691	46.8
267.28104	1.7
278.32062	1.4
281.24799	1.6
337.27292	33.4
338.27634	2.6
355.28531	11.0
355.33539	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	355.1496
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	0.6
55.01860	0.7
55.05489	0.9
60.04528	0.4
65.03913	0.6
67.04219	1.0
67.05487	1.7
68.05853	0.5
69.03422	1.1
69.07066	2.7
70.06564	2.1
70.27403	1.0
70.27764	1.1
72.08133	0.6
72.93786	0.8
73.02898	0.7
73.04735	1.9
79.05492	0.9
80.05000	0.9
81.03426	0.9
82.06578	3.8
83.04955	1.2
84.08121	3.0
85.02887	1.5
86.09695	1.3
87.47275	0.5
91.05837	7.9
93.07018	1.3
94.06551	1.7
95.04948	1.6
95.08598	0.7
97.02834	1.1
99.04445	0.6
100.03954	1.7
101.02427	0.5
105.03393	6.8
105.07027	1.1
106.03749	0.5
107.04935	4.8
108.08126	0.8
109.02850	0.6
109.06523	1.7
110.06031	100.0
111.04416	0.7
111.06355	2.1
114.07330	0.6
119.04904	0.9
120.08096	0.9
121.06465	1.0
122.06007	4.0
123.04442	0.5
123.06812	3.4
124.07582	2.2
125.05971	1.1
127.03880	0.9
128.03412	0.8
129.05453	0.8
132.95821	0.7
133.02856	1.3
133.06441	1.2
134.05945	0.6
134.29736	0.5
135.04439	0.8
136.03885	0.5
136.07571	4.0
137.02333	0.7
137.05949	3.7
138.09137	3.5
139.03905	0.8
140.07053	31.7
141.05458	1.4
141.07878	2.4
147.04417	0.7
150.05521	1.4
150.96857	1.7
152.07021	1.2
154.04962	0.6
154.08638	2.1
161.05905	0.7
161.09509	0.5
164.07039	5.7
164.08307	0.5
165.05457	0.6
166.08594	0.9
168.06551	0.7
170.08127	1.3
174.05540	2.7
175.05838	3.1
177.05560	0.9
178.02661	1.3
179.07010	1.2
180.06476	0.7
182.08112	15.7
190.08685	0.5
192.06534	1.6
193.04976	5.1
193.06885	2.3
193.12222	0.6
197.16391	0.6
201.05522	1.8
206.08244	0.9
208.09644	1.2
208.99017	0.8
216.08968	0.5
223.00583	2.1
226.10745	1.2
229.98746	0.5
239.13318	0.5
245.05186	1.3
247.09625	0.4
249.11232	0.8
250.10704	0.4
251.00044	3.2
252.08606	0.6
265.01575	3.1
268.97867	2.0
269.00848	0.9
274.10837	1.3
276.12271	0.6
277.10748	1.1
285.00928	2.8
286.00885	0.6
291.13437	0.6
291.16983	0.5
294.99017	0.8
301.11722	0.8
305.08057	0.5
319.09616	0.7
319.12930	2.8
320.11380	2.1
323.09076	0.7
337.10419	0.8
337.13934	13.8
338.12201	6.2
355.07043	2.1
355.15070	30.7
356.15417	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	354.0495
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96560	100.0
57.03417	5.8
60.04510	7.2
63.54909	4.4
69.03409	9.9
70.06583	12.3
70.87929	12.2
70.88275	6.1
74.97594	14.1
79.47337	5.0
82.93446	5.6
83.96090	4.5
84.04475	4.9
84.08123	9.9
84.96045	5.6
85.02899	18.9
86.09673	8.8
91.05815	28.1
95.03220	5.4
97.02884	11.0
97.99173	8.1
98.97543	29.1
107.04946	20.2
116.00206	28.9
116.01964	11.7
116.98618	24.3
119.01855	6.4
120.08095	5.4
127.03947	7.5
132.98184	5.2
134.01245	39.4
134.02962	46.8
134.99623	19.6
135.00648	9.4
144.93300	5.2
146.99602	6.3
147.04419	7.7
150.99123	27.9
152.02339	10.1
152.03989	8.8
162.67119	5.8
169.00201	23.0
174.02496	6.5
175.11951	4.7
180.85550	5.0
182.99562	21.5
183.03401	4.7
193.00174	10.9
193.01707	51.5
201.04286	5.4
211.02769	71.9
213.97746	12.5
219.01707	6.4
227.06760	23.8
234.04335	11.0
237.71457	5.2
237.97699	9.3
255.01724	24.7
255.98732	8.3
266.10129	5.1
268.98056	6.0
269.03394	12.0
273.02744	8.8
285.00894	9.0
295.01175	12.7
297.93347	5.4
313.02332	25.4
331.03342	10.1
336.03955	6.7
355.06857	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	355.1497
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01853	0.3
55.05504	0.7
60.11361	0.3
67.04236	0.7
67.05490	1.2
69.03445	0.5
69.07066	0.8
69.10262	0.3
70.06590	2.3
71.52767	0.5
72.08152	0.5
73.02914	0.7
73.04747	1.6
79.05500	0.5
80.04994	0.5
81.03404	0.6
82.06577	4.6
84.04517	0.6
84.08136	1.7
85.02891	1.0
86.09685	1.1
89.17834	0.4
91.05829	6.0
93.07040	0.8
94.06554	0.8
95.04961	0.4
95.08633	0.6
97.02876	0.5
102.05548	0.4
105.03381	4.4
105.07004	0.4
107.04942	1.2
108.04443	0.5
108.05197	0.4
108.08122	0.9
109.06535	0.6
110.06031	100.0
111.06373	1.7
114.07349	0.4
119.04926	0.6
120.08151	0.5
121.06521	0.8
122.06010	2.0
123.06804	4.7
124.07561	1.9
128.07056	0.4
129.10217	0.7
133.02841	1.9
133.06433	0.4
136.04002	0.6
136.07564	4.0
137.05946	1.9
138.09125	2.5
140.07053	28.0
141.01772	0.4
141.07892	2.2
145.02879	0.4
146.06012	0.5
149.05937	0.4
150.05478	0.7
150.96898	0.6
151.07430	0.4
154.04930	0.8
154.08629	2.5
160.07538	0.4
161.02339	1.4
161.05951	0.6
163.03920	1.7
164.07069	5.3
164.83408	0.4
165.05429	0.5
165.07565	0.4
166.08659	0.7
175.04048	0.4
175.11194	0.5
176.27962	0.4
177.05467	0.8
178.02615	0.5
179.07060	0.7
180.06532	0.5
182.08119	16.7
183.08330	0.5
191.09448	0.4
192.06418	0.4
193.04982	4.1
195.95648	0.4
201.05540	1.0
208.09644	2.1
223.00542	0.6
226.10684	2.5
235.06107	0.4
245.05060	0.4
251.00148	1.1
265.01651	0.5
265.06522	0.4
268.97812	1.3
280.18234	0.5
285.00980	2.2
303.01816	0.6
305.08490	0.4
319.12854	1.3
320.11307	1.1
333.33664	0.4
337.10193	0.8
337.13803	5.1
338.12274	5.6
339.12631	0.5
355.07669	1.9
355.14954	29.4
356.07037	0.8
356.15268	1.6
373.08218	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	354.118
Annotation	OxIAA-Glc
Peak:m/z	Relative Intensity
53.30209	0.7
57.24360	0.7
69.03410	3.2
70.06573	2.6
71.04940	0.9
71.51942	1.1
72.08139	1.3
73.02897	1.1
73.04723	1.5
83.04990	0.8
84.04455	0.9
84.08126	2.7
85.02880	2.6
91.05396	1.7
91.05840	1.2
94.06539	3.3
94.19080	0.7
95.04989	0.8
102.05530	0.8
105.03369	3.8
107.04964	1.2
110.06001	2.1
110.07127	1.1
115.07566	1.4
118.06532	5.7
119.74458	0.8
120.08073	1.3
122.05993	4.2
129.10234	1.1
134.05965	1.3
136.07516	1.5
146.05998	16.3
150.05472	2.9
162.05486	2.4
164.07019	5.9
174.05495	100.0
175.05923	2.2
176.07036	1.4
177.05431	0.9
177.38330	0.8
192.06540	46.8
193.04904	2.1
193.06682	1.3
268.01361	0.8
285.01031	1.9
297.42075	0.8
336.10638	2.0
354.11768	44.1
355.07141	1.4
355.11694	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2681
Annotation	1,3-dihydroxypropan-2-yl (9E,12E,15E)-octadeca-9,12,15-trienoate
Peak:m/z	Relative Intensity
55.05516	13.4
57.03439	4.8
57.07061	2.6
65.03932	3.3
67.05499	97.2
68.36827	1.8
69.07062	13.6
70.15078	8.2
71.04979	2.5
75.04469	2.6
76.60891	2.4
79.05486	39.3
81.07044	100.0
82.70839	1.9
83.04971	2.5
83.08600	6.2
85.06543	2.3
91.05486	17.8
93.07034	54.1
95.05002	3.3
95.08600	82.7
97.06488	2.7
97.10155	4.5
104.51110	2.0
105.07027	15.4
107.08583	37.4
109.10136	35.4
111.08057	2.8
113.09621	2.5
117.07014	6.2
119.08589	13.2
121.10133	29.1
121.10948	3.2
123.11686	21.1
131.08572	17.8
133.10100	14.5
135.11670	25.1
137.13196	4.5
145.10124	13.7
147.11685	8.6
149.13240	18.1
151.14789	2.4
159.11658	10.4
161.13251	7.9
163.14812	11.6
173.13313	11.1
173.14572	1.9
175.14833	2.9
177.16324	3.2
187.14821	7.3
201.16496	3.2
219.17342	2.3
233.22501	4.5
243.21059	20.5
261.22113	78.5
279.23111	5.8
335.25677	10.9
353.26804	23.8
370.46552	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2681
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	2.3
54.27316	1.8
55.05505	12.6
55.43692	1.6
57.03423	6.0
57.07059	5.3
61.03556	1.8
65.03937	2.2
67.05498	90.6
69.07057	12.3
70.97816	2.5
70.98130	2.8
79.05483	43.1
81.07047	98.9
83.04960	1.8
83.08612	8.5
85.06509	2.7
91.05470	21.4
93.07032	60.2
95.04983	3.8
95.07983	3.7
95.08598	70.7
97.06551	2.2
97.10162	3.3
99.08111	3.3
105.07014	18.6
107.08575	36.0
109.06528	2.2
109.10143	34.8
117.07022	12.6
119.08548	12.9
121.10123	29.9
123.11688	19.4
131.08542	21.3
133.10097	14.5
135.11687	26.1
137.13237	7.4
145.10114	14.4
147.11667	10.3
149.13232	18.6
159.11668	13.3
161.13255	6.3
163.14787	11.9
173.13243	17.7
175.14799	3.9
177.16403	3.0
187.14742	9.0
201.16321	3.0
233.22525	4.4
243.21123	25.4
261.22104	100.0
303.96326	2.4
308.02707	1.8
335.25784	5.1
353.26801	22.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2683
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	4.4
55.05499	14.3
57.03442	6.7
57.07059	6.5
58.06599	7.3
60.57286	2.7
67.05496	94.9
68.72128	2.7
69.07058	15.9
71.08619	3.7
71.52605	3.1
76.34616	2.9
79.05489	38.3
81.07046	100.0
82.30485	2.9
82.64748	3.4
83.08609	10.1
90.10628	2.8
91.05466	19.7
93.07034	51.1
95.04960	4.5
95.07994	3.7
95.08595	72.2
97.06517	5.0
97.10155	6.2
100.07556	2.8
105.07021	10.5
107.08585	37.0
109.10146	36.7
117.07012	11.5
119.08598	11.4
121.10129	30.2
123.11720	21.7
131.08542	18.4
133.10143	12.8
135.11688	24.7
137.13260	7.5
145.10124	18.0
147.11716	6.4
149.13206	18.5
159.11646	16.1
161.13251	8.8
163.14787	11.1
173.13284	13.9
177.16431	4.1
187.14807	9.0
201.16444	3.1
233.22681	3.7
243.21123	16.3
244.45433	3.3
261.22104	83.4
262.22577	4.1
279.18665	4.7
279.23221	7.0
305.12634	3.0
315.32587	3.4
335.25815	10.7
353.14154	3.4
353.26938	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	353.2682
Annotation	1,3-dihydroxypropan-2-yl (9E,12E,15E)-octadeca-9,12,15-trienoate
Peak:m/z	Relative Intensity
51.60597	1.4
52.69397	1.6
53.03944	2.5
55.05505	13.0
57.03429	5.8
57.07056	2.1
59.87996	1.5
62.40562	1.7
65.03928	3.2
67.05502	90.5
69.07059	13.0
69.99947	8.4
71.04975	2.5
71.08615	1.6
79.05490	47.2
81.07053	100.0
83.08617	5.7
91.05477	23.9
93.07040	55.8
95.04993	3.7
95.08604	70.3
97.06522	2.4
97.10172	2.9
99.08090	1.8
105.07024	15.2
106.88856	1.4
107.08588	33.7
109.10156	35.2
110.64092	1.5
111.11714	1.7
117.07024	8.2
119.08580	13.9
121.10132	25.0
123.08105	2.4
123.11691	19.2
125.09634	1.8
131.08556	15.7
133.10146	11.0
135.11688	20.7
137.09578	2.0
137.13245	7.7
143.08559	1.6
145.10112	14.2
147.11719	8.2
149.13246	15.4
151.14799	2.3
159.11710	12.2
161.13271	6.9
163.14830	7.5
173.13240	12.7
175.14839	2.1
177.16324	3.0
187.14807	7.0
201.16402	2.8
243.21115	14.7
261.22128	75.0
262.22519	2.1
279.23215	3.6
335.25827	9.3
345.80014	2.0
353.26840	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	353.2683
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	2.0
55.05507	12.2
57.03426	4.1
57.07064	3.8
60.28757	1.2
63.86824	1.2
65.03946	1.7
65.12270	1.0
67.05499	68.8
69.07060	10.2
70.72197	3.7
71.04986	3.0
71.08614	1.3
79.05486	39.2
81.07047	76.7
83.04980	2.1
83.08623	6.0
85.06496	2.1
86.17931	1.2
91.05479	18.1
93.07036	44.7
95.04966	2.8
95.08597	52.4
96.08945	1.3
97.06531	3.0
97.10159	3.4
99.08072	1.6
105.07014	14.5
107.08581	32.7
109.06502	1.4
109.09386	2.1
109.10137	31.5
109.10844	2.3
111.08051	1.8
113.09619	1.8
117.07026	9.2
119.08584	12.4
121.10129	27.3
123.11688	17.7
131.08554	17.1
133.10117	12.7
135.11685	20.9
137.13281	6.4
139.11221	1.6
145.10117	14.7
147.11681	11.0
149.13252	19.2
151.14813	2.6
159.11691	13.3
161.13254	6.8
163.14810	13.6
173.13245	16.3
175.14810	4.3
177.16376	4.4
187.14806	9.7
191.14441	1.4
191.70114	1.2
201.16353	2.6
205.15910	1.4
215.17915	1.6
217.19160	1.3
233.22615	4.5
243.21085	20.9
261.22098	100.0
262.22385	2.2
263.23822	1.3
279.23196	4.9
303.92279	1.3
310.44244	1.2
335.25693	6.1
353.26831	21.5
361.04208	1.2
370.67789	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2681
Annotation	1,3-dihydroxypropan-2-yl (9E,12E,15E)-octadeca-9,12,15-trienoate
Peak:m/z	Relative Intensity
53.03915	2.8
55.05505	13.0
57.03429	5.1
57.07053	4.8
57.12261	2.1
67.05496	90.5
69.07053	11.4
69.43546	18.0
71.04993	4.0
71.08598	2.6
73.07656	2.2
79.05483	37.4
81.07047	100.0
83.08589	7.9
91.05464	20.3
93.06493	2.7
93.07034	46.5
95.08596	75.3
97.06515	4.4
97.10148	5.0
98.20761	4.3
104.01883	2.0
105.07001	12.8
107.08582	32.1
109.10132	35.9
111.08069	3.1
114.05963	2.2
117.06972	5.6
119.08566	14.4
121.09485	2.2
121.10145	29.1
123.11692	20.3
131.08580	17.4
133.10075	12.4
135.11674	28.3
137.13251	10.3
145.10135	16.2
147.11665	12.7
149.13208	17.1
151.11150	2.3
159.11708	13.5
161.13225	11.3
163.14793	12.5
173.13248	14.0
175.14848	3.9
177.16412	3.8
187.14833	10.6
201.16318	2.8
205.15794	2.4
233.22531	3.7
240.71098	2.2
243.21063	21.6
261.22107	94.9
279.23108	9.6
288.03906	2.1
297.34253	2.3
305.42828	2.1
335.25711	12.4
353.26849	31.5
365.53516	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	353.2683
Annotation	1,3-dihydroxypropan-2-yl (9E,12E,15E)-octadeca-9,12,15-trienoate
Peak:m/z	Relative Intensity
53.03937	3.5
53.13380	2.6
54.45708	2.9
55.01871	5.2
55.05499	15.5
57.03421	8.6
57.07067	3.5
59.49708	3.0
67.05499	98.2
69.07067	17.0
69.70962	19.4
71.04993	3.1
79.05489	42.7
81.06587	6.3
81.07049	100.0
83.04980	3.7
83.08599	4.7
85.06519	3.8
91.05460	17.3
91.58097	2.7
93.07036	55.8
95.04961	6.7
95.08599	70.1
97.06537	6.0
97.10185	5.1
98.20705	3.0
105.07005	18.2
107.08582	34.4
109.10139	44.2
111.11694	3.4
117.07016	10.6
119.08569	11.6
121.10125	28.8
122.10432	4.0
123.11711	19.5
131.08507	15.4
133.10101	14.1
135.11670	25.9
137.13330	6.2
145.10075	14.1
147.11679	10.6
149.13245	14.9
151.11098	3.6
151.14780	3.6
159.11655	18.2
161.13263	10.2
163.14824	11.6
165.12842	3.2
173.13255	12.2
177.16397	3.8
187.14877	8.9
201.16388	3.4
243.21080	21.9
261.22125	92.2
273.74564	3.3
279.23114	7.1
291.19412	8.3
335.25797	11.1
353.26886	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	353.2681
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	4.3
54.36538	1.2
55.05503	12.8
57.03433	2.7
57.07059	4.5
65.03931	2.2
67.05495	78.1
69.07065	12.6
70.71356	1.5
70.71700	4.2
71.04960	2.7
71.08614	2.8
75.04438	1.9
79.05019	1.8
79.05479	40.8
81.07045	87.4
83.08607	6.4
85.06531	3.3
91.05470	21.3
93.07031	52.8
95.04949	3.3
95.08595	59.7
97.06514	2.8
97.10148	4.1
105.07018	15.1
107.08580	34.7
109.06507	2.1
109.10139	32.1
113.09599	2.2
113.42868	1.7
117.07002	6.9
119.08568	13.8
121.10128	25.9
123.11695	18.0
131.08549	19.9
133.10094	15.3
135.11676	24.2
137.13292	7.0
145.10097	14.1
147.11652	10.7
149.13243	20.5
149.35048	1.7
151.11209	2.0
159.11656	12.4
161.13261	10.5
163.14818	11.8
165.12787	1.8
173.13231	16.6
175.14790	3.3
177.16336	4.5
179.14432	2.3
187.14841	8.5
189.16466	1.4
201.16359	1.9
205.15915	2.8
219.17337	1.7
233.22618	3.5
242.92528	1.4
243.21071	21.5
244.21486	1.6
261.22101	100.0
262.22504	2.7
279.23145	3.8
335.25711	5.0
353.26880	26.2
369.35284	1.5
372.82437	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2294
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	1.0
58.99860	0.6
60.38338	0.4
60.67400	0.5
60.89415	0.5
66.30830	0.5
67.05489	1.1
71.04260	1.0
77.00893	2.0
81.07039	0.8
83.08618	0.6
93.07047	0.8
95.01946	0.7
95.08614	1.0
107.08622	0.5
177.12770	0.5
215.11232	2.6
227.11266	0.7
231.10770	1.0
233.12251	0.9
243.14427	1.7
253.12749	2.7
261.15787	0.6
263.64874	0.5
271.13907	2.6
317.19620	1.2
335.20731	3.8
353.22964	100.0
354.23248	5.6
371.22659	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.1591
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	12.1
55.01865	4.1
55.05505	11.7
57.03428	4.0
65.03935	2.8
67.05499	11.4
69.03083	1.4
69.03423	25.6
69.03769	1.9
69.07062	18.7
70.05680	7.8
70.06600	1.9
71.04987	12.9
79.05482	22.9
81.03413	100.0
81.07053	50.6
81.07533	2.6
81.18894	1.4
83.04973	13.0
83.08625	2.0
85.02924	4.5
85.06537	3.4
91.05466	15.7
91.89015	1.4
93.07036	54.2
94.27820	1.6
95.04958	10.4
95.08603	19.1
97.02874	9.2
97.06544	11.2
99.04456	16.8
99.08118	1.9
105.07029	28.9
107.04945	8.4
107.08590	41.1
107.09299	2.4
109.02877	68.7
109.06512	11.5
109.10162	14.8
110.03696	7.0
111.04449	10.4
111.08064	7.3
113.06049	1.8
117.07020	7.1
119.04971	4.1
119.08571	12.7
120.08061	1.7
121.06500	18.2
121.10133	38.7
123.04494	4.2
123.08117	4.8
123.11727	3.3
125.02367	8.6
125.06014	3.5
127.03915	37.8
127.07581	4.9
131.05035	1.7
131.08606	5.5
133.06535	3.2
133.10133	3.7
135.04388	1.7
135.08034	9.0
135.11705	10.5
137.06000	3.1
137.09645	4.3
139.07553	3.5
139.11226	6.7
143.08575	3.4
145.10109	26.6
147.04471	3.1
147.08130	3.5
147.11678	8.4
149.06010	5.1
149.09602	14.5
149.10559	1.4
149.13216	1.9
151.07597	4.3
155.08575	2.4
159.08044	2.8
159.11636	1.7
161.06062	3.9
161.09677	5.0
163.07558	2.6
163.11169	58.9
164.11591	2.8
165.09204	2.3
167.07024	8.0
167.10689	15.1
169.08611	8.5
173.09552	7.1
173.13353	1.8
175.03957	4.3
175.07581	2.1
179.10750	2.4
181.12213	12.7
187.11253	1.6
189.09163	3.1
191.07065	5.7
191.10678	35.1
199.07498	1.6
201.09071	1.9
203.08612	1.6
207.06390	7.8
209.11691	13.5
215.08676	2.2
227.12813	7.9
233.09576	3.4
235.07578	1.8
243.13899	2.1
261.09302	5.0
263.07162	2.5
277.08575	1.7
289.08722	3.6
289.14401	2.9
291.16092	1.5
293.14020	4.2
306.09048	1.6
307.09631	1.9
307.15448	1.9
307.80261	1.5
309.16965	13.9
317.13812	2.3
321.11105	8.2
335.14978	7.4
335.22104	2.3
353.16092	86.4
354.16260	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	353.1228
Annotation	Unknow
Peak:m/z	Relative Intensity
51.59062	0.7
53.03945	0.8
55.01860	0.9
55.05485	1.4
58.47581	0.7
59.55744	0.7
65.03918	1.9
65.36314	0.7
67.05488	2.5
69.03408	2.7
69.07047	1.7
70.06590	3.5
71.04992	1.3
71.13900	1.5
72.08154	0.8
77.03915	0.8
79.05468	2.5
81.07042	3.0
83.04990	3.7
84.08141	0.9
85.02898	2.1
89.03844	0.9
91.05469	24.3
93.06999	2.3
93.41819	0.6
95.04952	1.7
95.08582	2.8
97.02847	0.8
97.06524	1.0
99.04442	0.8
103.05474	1.1
105.07028	3.5
107.04957	1.2
107.08604	2.6
109.06469	1.0
109.10127	2.4
111.04404	5.4
117.12074	0.8
119.04930	33.0
119.08536	1.8
120.08080	2.2
121.06548	0.8
121.08276	0.7
121.10104	1.7
123.04432	0.8
123.08058	0.9
123.11662	1.1
127.03937	0.9
129.03326	1.0
131.04924	1.1
132.01991	1.2
135.04475	0.9
135.11653	1.2
136.07562	2.4
137.05919	1.6
137.09557	0.7
139.11159	1.3
145.10069	1.5
147.04390	28.8
147.11617	1.0
149.02275	1.3
157.03967	2.5
157.06538	0.8
159.07965	0.8
161.05988	0.9
163.11224	0.9
164.04619	1.1
167.07027	8.9
175.03889	52.6
179.06999	2.4
187.14880	0.8
191.06963	2.9
199.07484	1.5
207.06506	100.0
208.06818	1.9
212.01462	0.8
218.07394	1.0
233.09512	1.5
247.07332	0.9
261.07501	2.4
261.09464	1.1
261.11700	0.8
274.06277	0.8
277.06970	1.8
289.08435	1.6
293.08264	1.0
293.11554	1.7
321.11163	3.2
335.11359	5.0
335.22244	1.4
353.13803	4.6
353.18771	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.134
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05032	0.3
61.02912	0.6
67.44234	0.3
69.03419	0.9
69.43564	0.4
70.06568	1.3
70.80778	0.8
72.08133	0.5
79.05457	0.4
81.03418	0.6
84.04491	0.6
84.08131	0.8
85.02898	2.7
86.09716	0.4
86.48258	0.4
89.03960	0.4
91.05476	0.8
97.02885	0.5
104.04989	0.6
105.03388	0.5
105.07001	0.4
111.04414	0.7
116.04961	2.5
118.06558	0.4
119.04967	0.4
120.08092	0.4
122.06013	0.6
128.04938	1.8
129.04442	0.4
129.10184	0.4
134.05988	1.4
139.03842	0.4
141.36848	0.4
142.47121	0.4
143.06047	5.3
144.06824	4.7
145.07622	1.5
146.05992	0.8
147.04402	0.3
153.48340	0.4
155.06027	2.5
156.06824	0.9
161.07082	1.1
173.07095	34.6
174.07463	0.8
175.03882	0.5
177.05510	0.8
191.08141	100.0
192.08463	2.1
203.07016	0.4
207.06543	0.4
249.07629	1.0
258.01633	0.4
317.11502	0.5
335.12189	0.7
353.12061	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	353.1228
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05489	1.2
56.07537	0.4
57.31478	0.4
65.03919	1.2
66.06506	0.5
67.05490	1.4
69.03411	1.7
69.07064	0.8
69.20720	3.2
69.21148	2.1
70.06568	0.5
72.08117	0.6
77.03947	0.8
79.05490	0.9
81.03400	1.0
81.07037	1.3
83.04964	2.5
84.08105	0.5
85.02885	1.5
86.09688	0.8
88.96231	0.5
89.03904	0.8
91.05473	20.8
93.07021	1.7
95.04958	1.0
95.08592	0.9
98.97535	0.7
99.04414	0.6
103.05445	1.1
105.03365	0.7
105.07027	1.3
107.04893	1.1
107.08574	1.5
109.02872	0.5
109.06494	0.7
109.10152	0.8
111.04433	5.1
118.57801	0.4
119.04929	37.7
119.08577	1.2
119.11504	0.5
121.10136	1.0
123.04432	0.5
123.08054	0.5
123.11658	0.5
129.03360	0.6
129.05412	0.5
131.04846	0.7
132.02069	1.0
133.02812	0.6
133.06523	0.6
133.10077	1.5
135.04402	0.7
135.11703	0.5
137.05933	0.8
145.10109	0.9
146.94211	0.5
147.04395	32.7
149.02321	1.0
151.07439	0.6
157.03954	4.1
159.08069	0.6
161.06020	0.9
163.11166	1.2
165.09090	0.5
167.07042	7.5
175.03888	57.5
176.04338	0.9
177.05429	0.6
179.06966	2.9
181.04825	0.7
186.09166	0.4
191.06984	1.4
191.10643	0.7
192.04218	0.5
201.05637	0.4
207.06502	100.0
208.06868	1.5
233.09615	0.8
235.01968	0.5
245.07904	0.5
247.07544	0.5
261.07434	3.7
277.07126	1.6
289.08514	1.3
317.10089	1.2
321.10980	1.5
335.11179	5.9
335.21896	0.5
338.15961	0.4
353.13156	2.1
354.10236	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	352.1597
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02393	2.2
53.03926	9.9
53.23390	2.3
55.01858	9.2
55.36152	2.1
56.36713	2.0
57.03412	8.6
61.02906	10.5
67.05491	5.0
68.99768	2.5
69.03419	38.3
69.07062	34.5
70.06590	13.3
71.04974	6.5
71.19597	5.4
71.23807	2.3
72.08132	5.1
73.02901	9.7
79.05487	3.1
81.03408	31.6
81.07022	9.4
83.04964	2.6
84.04507	3.1
84.08122	9.3
85.02896	100.0
85.06529	7.3
86.09691	13.7
87.00820	43.9
91.03951	3.8
91.05470	17.2
93.07012	7.8
95.04935	2.4
97.02882	44.1
97.06490	4.8
99.04456	15.7
105.01858	59.3
105.06980	4.0
107.08527	4.7
108.04452	3.3
109.02864	28.7
110.07133	3.5
111.04448	2.9
111.08064	9.6
116.07037	2.4
117.01835	6.1
117.06976	3.0
119.04911	21.0
119.08526	3.8
120.08069	7.0
121.06441	3.1
127.02957	4.8
127.03895	68.2
129.01869	2.5
129.10190	3.4
135.08023	3.4
136.07553	2.4
137.09538	3.3
145.04942	36.4
147.02841	5.1
147.04402	18.5
147.08020	3.5
149.09604	4.6
151.07545	2.9
153.09077	9.8
157.03922	2.2
159.02882	18.3
159.07983	5.0
159.46271	2.2
165.09079	5.5
167.14865	2.2
175.03906	23.9
177.09073	10.1
189.03900	3.7
195.10204	17.2
207.06485	48.8
213.03920	3.3
231.04971	21.7
249.06044	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	353.1229
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01603	0.5
50.48603	0.3
55.01861	0.4
55.05498	1.1
58.12313	0.3
61.89592	0.3
65.03571	0.4
65.03932	1.4
69.03427	0.5
70.06584	1.2
70.29521	1.1
71.04970	0.9
71.16203	0.4
76.03163	0.4
77.03906	0.7
79.05480	0.7
81.03409	0.5
81.07040	0.9
83.04978	3.8
85.02901	0.9
89.03893	0.7
91.05474	28.1
92.05806	0.6
93.07042	0.6
95.04971	0.7
95.08625	0.8
103.05451	1.1
104.02556	0.5
105.03371	1.2
105.07046	0.5
107.04951	0.6
107.08602	0.5
109.10138	0.4
111.04436	1.4
116.17131	0.4
118.04160	0.7
119.04935	38.6
120.05259	0.6
120.08105	1.0
121.08512	0.4
121.10039	0.4
122.03648	0.4
123.11697	0.4
129.03386	0.7
131.04935	0.6
132.02049	2.0
133.02844	0.6
133.10062	0.5
135.04411	0.8
136.05220	0.6
137.05974	1.0
145.02869	0.7
146.03532	0.4
147.04402	32.5
148.04834	0.3
149.02383	1.7
157.03970	3.0
164.04669	1.3
164.15443	0.4
167.07062	0.8
175.03896	52.9
176.04314	0.5
179.07076	2.7
183.09961	0.4
191.06996	0.9
192.04187	0.9
207.06512	100.0
208.06885	1.9
221.05959	0.4
233.09598	0.5
278.05664	0.4
289.08597	0.7
316.63663	0.4
321.11240	0.6
335.11185	0.5
353.13263	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	352.0109
Annotation	Unknow
Peak:m/z	Relative Intensity
55.93496	6.9
56.94271	3.8
56.96557	22.6
69.03413	3.8
69.79411	8.0
69.79828	12.9
70.06568	11.5
72.08117	3.9
72.93777	29.1
81.03393	5.9
84.08135	13.9
85.02894	4.9
86.09700	8.2
90.94797	14.5
95.04944	4.1
97.02846	6.8
98.21413	4.5
98.97546	5.5
105.00352	3.2
107.04944	100.0
110.07169	6.7
111.54028	3.2
113.96375	15.6
120.08116	8.6
129.10207	8.3
129.17838	3.2
129.61606	3.8
131.97406	13.7
135.04369	7.8
136.07533	6.3
141.74411	3.2
142.97842	3.7
144.95789	11.7
147.82494	3.7
162.05447	3.6
162.96861	14.9
162.98247	5.5
170.36497	3.8
170.97253	3.7
178.97830	4.3
180.97871	5.5
180.99448	72.9
181.01094	5.2
181.01764	4.2
194.97357	13.3
196.98991	6.1
199.00536	20.3
208.98944	93.5
209.03162	3.7
211.97559	5.0
212.98430	13.4
227.00031	7.2
227.02165	7.8
229.98685	4.8
237.02734	4.5
238.99902	8.0
252.97923	3.8
266.99435	13.4
270.98752	7.0
271.01385	4.6
285.00528	11.5
289.00082	4.9
290.01056	23.0
308.02164	22.0
310.98453	7.5
328.99246	5.1
347.02936	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2525
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03915	3.2
55.01855	3.6
55.05502	21.7
55.98066	2.5
56.96540	3.2
57.03421	11.2
57.07066	5.8
65.03919	4.3
67.05502	45.0
69.07054	23.4
69.17624	2.6
71.04982	3.4
71.10455	5.7
75.04452	4.3
79.05485	77.5
81.07050	64.8
83.08595	7.7
85.06528	3.2
85.10170	3.2
91.05474	65.9
93.07038	100.0
94.84910	2.8
95.04941	9.6
95.08604	34.1
97.10156	3.8
99.08070	3.4
105.07011	60.0
105.73898	2.6
107.08591	53.5
109.10129	16.6
117.06994	10.6
119.08572	54.1
121.10123	44.1
123.11700	5.6
129.07016	7.2
131.08530	21.8
133.10109	45.7
135.11679	42.7
143.08563	11.0
145.10094	23.0
147.11679	48.0
149.09604	3.3
149.13225	26.2
151.11150	3.0
157.10103	9.4
159.11662	19.3
161.13242	31.4
163.14786	7.4
171.11673	16.9
173.13205	10.5
175.14815	11.6
177.12830	3.4
185.13240	10.6
187.14729	4.1
199.14738	10.3
209.32446	3.0
213.16354	4.9
217.15840	3.3
220.18636	3.1
231.21010	7.4
237.22137	2.8
241.19501	40.8
259.20538	81.9
260.20764	4.4
268.78424	2.8
277.21445	13.3
333.24054	10.7
351.25293	61.0
352.25534	3.9
369.18494	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	351.2528
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	4.0
55.01862	3.9
55.05515	19.8
57.03444	16.9
57.07064	4.7
67.05174	6.3
67.05501	66.3
69.07062	24.6
69.12950	3.5
69.91884	19.8
71.08626	45.9
77.67277	3.1
79.05485	51.3
80.36416	3.4
81.03409	7.0
81.07051	64.5
83.04968	15.5
83.08616	11.1
85.06552	6.9
91.05477	39.4
93.07030	70.2
95.04961	11.8
95.08607	51.1
97.06522	14.0
97.10176	6.8
98.20819	5.0
99.08086	35.1
105.07010	23.0
107.04967	7.8
107.08595	31.8
109.06509	5.9
109.10148	22.6
113.09683	3.4
117.07028	7.7
119.08570	23.3
119.68059	3.4
121.10127	27.1
123.08061	3.6
123.11703	4.3
123.60976	3.4
125.09633	4.9
129.07019	4.1
131.08565	6.6
133.10135	19.6
135.11670	41.8
137.09592	4.4
141.09085	3.8
143.08641	5.0
145.10104	9.6
147.11685	12.4
149.09583	4.2
149.13239	9.7
151.11201	17.2
159.11658	9.5
161.13258	19.3
163.11140	4.0
171.11804	4.3
177.12785	5.5
179.14297	100.0
189.12810	3.6
221.15323	5.0
241.19499	5.8
259.20532	15.4
277.21591	29.3
305.78732	3.9
312.58221	4.1
351.25323	44.7
352.25351	6.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2526
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	3.6
55.01854	10.0
55.05508	19.0
57.03445	10.6
57.07071	8.5
61.44035	1.5
65.03924	2.1
67.05132	3.0
67.05495	46.5
67.69627	1.7
68.12920	1.7
69.07062	18.6
71.04977	4.6
71.08627	2.4
71.34837	4.5
73.06562	1.8
75.04495	1.9
79.05013	2.5
79.05483	69.2
81.07045	84.7
83.04937	3.4
83.08603	7.5
85.06517	4.7
91.05473	47.4
93.07033	88.0
95.04940	6.3
95.08601	42.5
97.06522	4.1
97.10152	3.9
99.08080	3.3
103.05402	2.1
105.07017	57.8
107.07877	3.3
107.08578	55.0
109.06524	15.2
109.10154	14.6
111.04433	14.6
117.07005	12.6
119.08570	54.0
121.06546	3.0
121.10130	40.8
123.08031	3.1
123.11723	4.6
125.05972	3.6
128.06174	2.4
129.06972	9.9
131.08557	20.8
133.10117	44.8
135.08038	3.1
135.11668	42.7
137.05963	100.0
137.09572	3.9
137.13197	2.3
138.06248	3.6
143.08560	9.6
144.93315	1.7
145.10132	18.9
147.11671	52.9
149.09615	5.7
149.13232	25.6
151.07471	3.2
151.11186	2.2
157.10104	10.1
159.11687	15.2
161.09593	6.9
161.13229	39.9
162.13622	2.0
163.11151	5.1
163.14847	9.1
165.09007	2.4
165.12711	2.4
170.69556	1.7
171.11656	14.3
173.13246	10.4
175.11163	6.1
175.14828	21.3
177.12740	5.2
179.10594	2.1
185.13205	15.8
187.14851	3.2
189.12747	3.6
189.16322	3.4
193.16013	1.9
199.14799	9.4
203.14609	2.2
203.17931	8.1
213.16357	5.4
215.18008	3.2
217.15977	2.3
217.19466	5.5
231.17509	13.2
231.21046	9.3
241.19514	31.9
249.18571	11.1
259.20554	88.0
260.20892	3.0
277.17944	28.6
277.21542	15.7
295.18948	6.2
306.74945	1.8
333.20142	4.4
333.24219	8.5
351.21335	29.6
351.25256	55.9
352.25311	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	351.2525
Annotation	Unknow
Peak:m/z	Relative Intensity
52.06420	2.3
52.50337	2.0
53.03942	5.2
55.01865	3.9
55.05508	17.0
55.69304	2.1
57.03433	13.9
57.07069	5.4
63.61932	2.1
67.05502	55.8
69.07062	18.6
71.04397	6.0
71.04971	5.9
71.08620	7.2
79.05491	73.5
81.06592	3.7
81.07056	69.1
83.04972	4.6
83.08174	2.9
83.08597	15.1
85.06506	2.9
91.05482	57.9
93.07039	88.2
94.25603	2.1
95.04961	8.9
95.08063	3.7
95.08611	45.3
97.06520	3.7
97.10172	3.5
99.08084	7.6
105.07021	59.4
107.04935	2.6
107.08586	64.9
109.06532	4.4
109.10148	17.5
111.08044	2.6
113.09676	3.3
117.06991	12.5
119.08580	59.6
120.08881	2.4
121.10142	49.3
123.08078	3.1
123.11674	5.4
128.06148	2.5
129.06972	11.7
131.08546	22.0
133.10115	41.4
135.08005	2.8
135.11684	48.7
143.08588	11.0
145.10135	20.2
147.11682	48.3
149.09569	3.9
149.13258	32.6
151.11113	3.0
157.10069	11.5
159.11713	24.4
161.09644	4.5
161.13245	44.5
163.11183	6.1
163.14796	10.2
171.11676	14.5
173.13283	9.6
175.11230	2.5
175.14851	20.5
177.12816	3.4
179.14270	6.1
185.13211	16.3
187.14880	4.2
189.12761	3.9
191.14371	2.7
199.14784	8.5
213.16396	5.4
217.15816	3.0
217.19427	3.1
231.21043	11.5
241.19487	40.6
253.67226	2.8
259.20560	100.0
260.20816	3.1
277.21628	24.9
333.24298	9.2
351.14908	3.5
351.25293	71.9
352.25726	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	351.2163
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	8.8
55.05513	7.1
56.96558	8.1
57.03431	2.6
67.05505	7.0
69.03419	1.1
69.07052	4.7
70.25112	3.6
79.05489	8.8
81.07051	36.9
83.04963	2.4
83.08583	3.1
85.06532	1.3
91.05473	4.1
93.07042	7.2
95.08585	6.8
97.06525	1.7
105.07024	5.4
107.04956	1.1
107.08591	6.2
109.06515	13.3
109.10143	4.6
111.04436	13.6
111.08098	2.5
117.07010	1.3
119.08572	8.0
121.10123	4.1
123.08054	2.6
123.11710	2.4
125.05997	4.0
128.98526	1.1
131.00079	1.7
131.08577	2.0
133.10098	7.1
135.08022	3.6
135.11670	5.0
137.05965	100.0
137.13234	2.4
138.06357	2.3
143.08540	1.5
145.10117	2.1
147.08057	1.4
147.11688	5.3
149.09573	3.3
149.13232	2.5
151.07576	3.0
151.11232	2.0
157.10120	1.9
161.09627	5.9
161.13286	2.3
163.11165	2.1
163.14775	1.2
165.09120	2.2
165.12753	1.8
167.10689	1.7
169.20639	1.0
171.11772	1.5
175.11154	3.9
175.14832	2.3
179.10637	2.5
189.12680	1.2
193.12241	1.8
203.17943	5.8
213.07968	1.7
213.16338	3.0
221.18913	2.3
223.14728	1.4
225.07959	1.3
231.09041	3.8
231.17419	8.4
241.11053	1.2
241.19661	1.2
243.09178	1.5
249.18488	10.6
249.22470	1.2
259.20554	2.9
277.14954	1.9
277.17993	31.8
277.21301	2.6
295.18973	10.4
333.17279	26.5
351.14868	2.0
351.18381	33.8
351.21692	5.3
369.19305	2.6
374.20050	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	351.2137
Annotation	4,4-Difluoropregn-5-ene-3,20-dione
Peak:m/z	Relative Intensity
55.05470	0.9
64.85580	0.7
67.05508	1.3
68.48312	0.7
70.92206	2.1
73.75585	0.7
81.07043	1.4
86.86771	0.7
95.08514	0.8
107.08594	0.9
215.11331	0.8
253.12936	1.2
271.13876	1.6
290.77133	0.9
325.91562	0.8
333.19269	2.2
334.19788	0.8
351.21384	100.0
352.21155	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	351.2149
Annotation	Unknow
Peak:m/z	Relative Intensity
52.31485	2.2
53.03950	5.0
55.01878	6.4
55.05508	10.6
57.03423	7.2
57.07049	3.3
67.05495	25.1
69.03442	2.5
69.07073	12.2
71.08589	2.6
71.52707	4.3
76.22407	2.2
79.05487	36.7
81.07051	55.3
83.08588	4.1
85.06519	4.2
85.75748	2.2
91.05475	31.6
93.07034	50.5
93.40707	2.2
95.04956	3.4
95.08608	22.0
99.08111	3.1
105.07023	31.5
107.08569	28.6
109.06490	13.6
109.10152	10.5
111.04408	11.3
111.08101	3.5
117.07020	8.9
119.08573	28.4
121.10130	26.0
123.11712	8.0
125.06006	4.4
129.06934	3.3
131.08559	11.3
133.10144	25.7
135.11674	22.8
137.05969	100.0
137.09540	2.5
143.08612	4.4
145.10088	11.0
147.11667	30.5
149.09621	7.0
149.13261	14.0
151.07591	3.3
151.11185	2.6
157.10112	6.6
159.11711	13.7
161.09663	4.8
161.13249	19.7
163.14835	5.2
165.12732	3.1
171.11694	8.9
173.13242	4.8
175.11209	4.9
175.14760	11.2
185.13245	7.2
189.12784	2.8
199.14885	3.2
202.23965	2.4
203.17999	4.5
213.16341	3.5
213.60455	2.2
217.19553	2.9
223.14937	2.5
231.17409	12.6
231.21114	4.0
241.19530	13.5
249.18541	8.1
257.74985	2.4
259.20517	40.9
259.23062	3.7
273.71069	2.2
277.17975	29.4
277.21533	9.6
295.19061	6.5
333.20346	4.5
333.24149	4.2
351.21402	45.2
351.25330	31.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.1548
Annotation	Unknow
Peak:m/z	Relative Intensity
52.69913	0.5
55.05496	0.6
55.33995	0.5
56.05029	0.5
56.47482	0.5
60.30054	0.5
61.57848	0.5
70.06591	3.6
71.52286	0.6
71.52659	0.7
72.08141	3.1
81.03386	0.7
84.04508	1.4
84.08120	3.4
85.02878	1.3
86.09692	2.8
88.03955	0.5
90.42573	0.5
91.05470	1.5
93.07004	0.6
95.04954	0.7
95.08588	0.6
97.02893	0.7
97.06512	0.6
102.03239	0.6
105.07001	0.7
109.06425	0.5
109.10229	0.5
110.05994	0.9
110.07135	1.3
119.04918	1.1
120.08116	1.3
122.06020	1.0
123.06735	0.7
124.07611	0.8
129.10196	1.5
136.07559	1.2
139.75482	0.5
147.04362	1.1
152.07053	0.9
162.05473	0.7
164.07028	1.4
168.06551	0.8
170.08104	4.3
175.03844	1.1
175.08672	1.4
177.05507	0.7
180.06541	0.6
182.08099	4.9
190.08575	0.7
199.08665	3.8
200.09412	8.0
201.10220	10.0
202.10873	0.9
206.10693	0.6
207.06493	1.7
210.11476	0.7
212.09442	0.9
213.10222	8.9
214.10973	6.8
215.11783	20.8
216.10094	0.6
216.12450	1.2
217.09650	1.8
219.11279	10.4
226.11002	2.1
227.08066	0.8
227.11804	1.1
228.09015	0.7
228.12582	2.9
231.11276	2.3
232.12077	0.7
241.09752	3.2
241.13329	4.9
242.10461	11.7
243.11235	2.7
245.09189	1.3
254.10468	1.6
255.11086	0.8
256.12015	3.5
259.10776	3.6
260.11514	5.1
261.12152	1.1
269.12796	4.9
270.13608	1.1
271.14426	0.7
272.11520	1.0
274.13159	1.0
277.11823	3.6
280.12082	0.7
282.09973	0.7
287.13812	3.4
289.15564	1.1
297.09100	1.1
297.12286	8.1
300.10938	3.6
315.09998	1.0
315.13333	17.8
333.10706	3.4
333.14389	21.1
333.18442	1.2
334.14859	0.7
351.15479	100.0
352.15802	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.1547
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.8
55.01863	1.2
56.05013	1.0
56.70100	0.5
62.77899	0.5
63.88426	0.4
67.05492	0.7
69.03428	1.0
69.07059	0.8
69.36150	2.7
69.36571	1.9
70.06588	2.9
72.08130	2.3
73.48643	0.5
79.05473	1.9
81.03412	0.9
81.07034	1.6
82.06540	0.6
84.04484	0.5
84.08108	2.0
86.09708	2.9
91.05462	1.6
93.07040	1.0
94.06530	2.0
95.04952	0.8
96.08116	5.4
98.06049	1.0
106.06506	1.2
107.04945	0.8
108.04469	9.3
108.08087	1.5
109.06479	0.7
110.06027	20.4
110.07158	1.1
111.04334	0.5
112.07597	5.2
119.08595	0.7
120.08090	1.8
121.06467	1.0
122.06010	12.6
123.06803	7.2
124.07578	21.0
129.10248	1.1
134.06017	1.7
136.07565	10.2
137.08347	2.4
138.09113	1.7
140.07048	11.1
148.07593	1.1
150.05467	1.7
152.07042	9.5
164.07056	12.8
168.06551	12.8
170.08107	78.9
171.08443	0.9
180.06569	1.0
182.08115	100.0
183.08473	2.0
184.09682	3.3
198.56082	0.5
238.08322	0.5
238.53307	0.5
287.10202	0.6
333.10684	1.4
351.11481	0.6
351.15292	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.1184
Annotation	bisanthene
Peak:m/z	Relative Intensity
55.01868	6.1
55.05503	1.0
57.99138	0.7
60.04512	1.1
65.85650	0.7
67.05489	1.1
69.03403	1.5
69.07047	1.1
70.06593	5.2
71.04957	1.0
71.51888	0.9
71.52321	1.2
72.08140	2.8
80.42507	0.8
81.03408	1.6
81.07079	0.8
81.56782	0.7
84.04493	2.5
84.08144	5.5
85.02884	2.9
86.09696	4.0
87.10004	0.9
88.56924	0.8
91.05475	1.2
93.07036	0.8
99.04456	0.8
102.05503	1.5
105.03400	1.0
105.06984	0.7
106.86543	0.7
107.08502	1.0
108.04449	2.4
109.02892	0.9
110.05999	1.5
112.08681	0.9
115.08622	0.8
116.77573	0.7
119.04971	1.0
120.08086	2.1
121.77343	0.8
124.07589	1.8
126.59740	0.7
129.10226	2.2
130.06573	0.9
135.04391	1.0
136.07561	1.0
147.04266	0.9
160.07600	0.8
162.05539	0.9
164.07074	1.0
168.06523	2.1
170.08162	4.2
170.09401	1.1
171.05470	1.0
175.08702	0.9
178.04973	1.6
182.08125	5.0
185.07150	1.8
186.07803	1.0
187.08641	1.4
189.06654	1.4
189.10249	0.9
198.09195	1.3
199.08644	3.5
200.09444	2.5
201.06537	1.8
201.10255	2.9
202.08707	0.9
203.08159	1.9
206.04494	1.8
208.06029	1.4
213.06593	2.9
213.10197	8.2
214.07350	4.2
214.11002	2.5
215.08125	5.8
215.11736	4.8
217.06180	2.3
217.09760	3.1
219.07631	3.5
219.11331	2.0
227.04524	1.2
227.08116	6.8
231.07686	2.9
231.11163	1.1
232.08427	4.1
233.09233	4.3
237.06668	2.0
241.05981	2.0
241.09711	14.1
241.13400	1.6
242.06860	3.3
242.10426	4.2
243.07646	3.4
243.11101	1.0
244.09770	1.4
245.05460	1.2
245.09239	7.0
251.08185	1.2
255.07620	13.9
256.08060	1.0
256.11987	1.7
259.07138	2.7
259.10825	4.8
260.07922	4.0
260.11569	1.6
261.08667	3.5
263.06888	0.8
263.10260	1.0
269.09183	15.0
269.12460	1.1
270.09796	1.2
271.10822	2.2
273.08710	9.8
277.11700	1.1
287.10263	16.1
287.13528	1.7
289.11780	2.9
291.09769	2.6
297.08743	12.7
297.12283	2.1
305.11298	2.9
308.06671	1.7
315.09766	47.9
315.13376	6.1
316.10034	2.1
323.09290	0.9
333.10785	100.0
333.14258	6.4
334.10995	5.5
351.11813	97.6
351.15579	28.2
352.12103	4.9
352.16006	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.0962
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96560	15.5
56.96845	0.9
69.03427	1.8
70.06575	1.3
70.94537	1.8
71.95267	1.1
84.04492	0.7
84.96032	3.4
85.02898	1.7
86.09690	0.7
97.02890	1.8
98.97576	100.0
103.02386	0.8
110.97559	7.4
112.99150	1.4
115.55750	0.6
115.59890	0.6
116.53690	0.6
116.98612	53.6
117.37380	0.6
119.01940	1.1
128.98592	9.0
131.00195	1.1
131.01904	1.1
134.99643	15.0
140.00189	2.0
140.98604	0.7
143.00182	2.5
143.01898	1.0
144.98102	1.4
145.01697	2.5
145.03459	2.1
146.99634	4.0
147.01396	1.0
147.03262	1.9
149.01213	1.0
152.98608	1.3
155.01918	0.9
157.03410	0.8
158.01215	1.0
158.99640	33.3
160.00060	0.7
161.01227	2.8
161.02904	1.7
162.99214	0.8
163.02789	1.7
163.04324	0.8
165.00687	0.8
165.04367	2.3
170.99686	2.6
171.03287	2.6
173.02953	0.7
175.02687	1.0
177.00696	37.6
181.03740	1.0
187.04344	0.7
189.00920	3.1
189.02441	2.4
189.04292	12.9
195.01753	2.9
200.02292	1.4
207.01707	0.9
207.03584	1.4
207.05423	2.6
208.43382	0.7
219.01755	9.2
219.05330	0.9
231.03506	5.9
231.05412	1.1
232.03580	0.9
237.02794	17.9
243.03461	2.2
249.04520	1.4
255.03790	1.2
277.55975	0.6
291.07425	17.4
299.65738	0.7
309.08533	63.5
310.08871	2.6
332.10172	3.7
351.09576	21.3
352.09891	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	350.2323
Annotation	Unknow
Peak:m/z	Relative Intensity
51.05023	1.9
53.03933	2.7
55.01867	2.8
55.05508	10.7
57.03425	3.1
58.06596	15.2
60.04510	6.3
62.10276	1.6
63.20077	1.6
67.05501	16.2
68.05016	18.3
68.81671	2.0
69.07069	13.7
70.06617	3.5
71.04633	2.9
71.04949	10.6
79.05487	15.7
81.03410	5.9
81.07042	21.7
82.06570	7.0
83.04977	4.6
83.08604	5.4
84.08145	12.5
85.06526	2.6
86.09704	5.5
89.06019	2.5
90.02947	1.9
91.05493	12.6
93.07039	15.1
95.04974	6.4
95.08607	8.9
96.08122	100.0
97.06503	3.9
97.08922	5.0
100.07598	4.2
105.06992	9.2
107.04974	2.8
107.08574	8.4
108.08093	3.3
108.08848	2.4
109.06500	5.0
109.10131	2.8
111.08089	2.4
111.57399	1.9
112.07593	32.5
114.81741	2.0
117.07032	2.9
118.07372	2.1
118.96700	1.8
119.08572	8.6
120.08100	2.3
121.06453	3.1
121.10135	5.2
124.07574	7.7
126.09138	2.8
128.10710	8.8
131.08534	7.5
133.10188	4.4
135.08127	4.7
135.11658	4.4
137.05942	2.5
138.09128	21.8
139.11153	2.7
143.08546	3.9
145.10124	7.4
147.08014	4.4
147.11644	3.1
149.09598	3.7
149.13257	2.7
155.08635	1.9
159.11665	2.6
163.11111	2.3
171.11905	1.9
173.00542	1.9
195.13832	2.1
202.07896	1.9
245.18918	2.4
247.07578	2.8
259.07602	3.4
273.18430	12.2
276.20438	3.3
277.17816	2.1
290.09372	3.8
290.21118	6.9
291.10117	5.6
291.19473	7.8
308.22247	8.4
319.09573	3.8
332.22287	4.5
350.19971	27.7
350.23325	46.4
350.29187	2.1
351.12311	14.7
351.21341	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	349.2733
Annotation	Aglatomin A
Peak:m/z	Relative Intensity
50.08815	1.1
50.56956	1.2
55.05490	3.2
56.69307	1.2
57.07075	5.4
67.05492	3.4
69.07059	2.5
69.28045	7.7
69.28465	3.1
71.08621	1.7
78.79268	0.9
79.05480	3.0
81.07047	5.3
83.08631	1.1
85.06522	2.3
91.05463	1.5
93.07030	3.6
95.08601	6.9
97.06550	1.4
98.46160	1.0
99.08092	1.6
105.07037	3.3
107.08608	2.3
109.06513	19.4
109.10143	2.0
119.08556	2.0
121.10149	1.4
122.07267	2.2
123.08054	23.2
131.08690	1.1
135.08069	3.2
135.11690	1.5
145.10143	1.3
147.11699	1.7
179.14294	100.0
180.14618	2.4
184.48676	1.0
193.15918	3.0
286.52847	1.0
331.26321	2.5
349.27356	78.4
350.27756	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2733
Annotation	Aglatomin A
Peak:m/z	Relative Intensity
55.01869	0.6
55.05508	5.9
55.30017	0.4
57.03429	0.7
57.07060	1.8
61.53498	0.4
67.05498	4.7
69.07066	9.3
69.74139	2.0
69.74552	0.9
71.04983	1.1
71.08611	0.9
79.05475	2.8
81.07047	9.2
83.04958	1.0
83.08611	4.5
85.06540	1.1
91.05464	1.8
93.07028	5.4
95.04948	0.7
95.08595	7.2
97.06525	1.9
97.10142	0.9
105.07026	2.2
107.08576	5.1
109.06508	12.1
109.10149	3.5
111.08071	2.0
119.08566	4.3
121.06501	0.7
121.10142	3.4
122.07321	0.7
123.08054	66.8
123.11643	2.1
124.08391	1.4
131.08572	1.2
133.10107	2.7
135.08035	5.6
135.11696	2.6
137.09607	4.9
137.13205	1.1
145.10117	1.4
147.11670	2.4
149.09596	1.2
149.13268	2.1
151.11214	0.9
151.14780	0.6
159.11665	1.1
161.13237	1.5
163.11163	0.8
165.12694	0.6
167.14345	0.6
172.40649	0.4
173.13208	0.5
177.12683	0.5
179.14291	19.2
193.15901	0.7
215.53746	0.5
233.19046	0.7
238.43904	0.5
275.20047	2.0
289.25229	0.7
293.21085	17.8
303.26779	0.6
307.22659	0.9
331.26364	4.2
349.27338	100.0
350.27676	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	349.2734
Annotation	Aglatomin A
Peak:m/z	Relative Intensity
55.01871	0.7
55.05506	5.4
57.03437	0.4
57.07077	2.4
63.47186	0.4
66.21564	0.4
67.05501	5.2
69.07063	9.9
69.84441	1.9
71.04975	1.3
71.08598	1.2
72.05901	0.4
79.05483	3.0
81.06594	0.5
81.07045	7.9
83.04972	0.9
83.08611	4.6
85.06525	0.7
91.05455	1.7
93.07024	3.9
95.04955	1.1
95.08598	8.0
96.94749	0.4
97.06516	1.8
97.10147	0.8
98.21464	0.9
99.08109	0.7
102.21468	0.4
105.07014	2.6
107.08569	4.6
109.06517	11.3
109.10139	3.2
111.03941	0.4
111.08057	1.9
116.63088	0.4
119.08570	3.4
119.46724	0.4
121.06499	0.5
121.10126	3.7
122.07272	1.3
123.08054	62.1
123.11706	2.1
124.08399	0.8
131.08536	0.7
133.10135	2.5
135.08040	5.1
135.11668	1.9
137.09610	4.3
145.10098	0.8
147.11673	1.9
149.09618	0.8
149.13239	2.4
151.11185	0.6
159.11699	1.3
161.13263	1.3
163.11163	0.6
165.12746	1.0
167.14198	0.5
173.13257	0.4
175.14830	0.6
177.12692	0.5
179.14287	20.2
180.14569	0.5
187.14893	0.5
193.15826	0.8
233.19034	0.8
261.22067	0.5
275.20013	1.4
285.93228	0.4
289.25281	0.6
293.21094	16.8
307.22659	0.5
323.65970	0.4
331.26337	3.1
349.27335	100.0
350.27567	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	349.2369
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02372	4.1
53.03947	16.1
53.07108	2.4
55.01870	19.3
55.05510	27.5
56.96545	7.3
57.03432	20.8
66.92240	2.7
67.05497	79.2
69.03431	4.3
69.07063	62.8
69.07426	2.4
69.47538	18.3
69.47954	4.8
69.52180	2.4
71.04993	3.8
71.98842	2.9
79.05487	59.6
81.03415	38.4
81.07049	100.0
81.07534	5.4
83.04989	13.2
83.05407	2.6
83.08614	14.9
85.06543	3.4
86.71837	2.7
91.05473	79.5
91.10826	2.4
93.07038	59.6
95.01324	27.6
95.04967	25.1
95.08598	55.9
97.06522	28.3
97.10165	5.0
99.08083	4.0
103.05447	5.1
105.07026	85.3
107.04946	46.0
107.08578	31.9
109.06506	20.6
109.10127	13.2
111.08061	3.5
117.06992	23.4
119.08566	47.1
121.06494	6.2
121.10105	16.3
123.04369	3.8
123.08059	11.8
123.11662	4.6
125.09615	3.4
129.06958	4.2
131.08543	37.7
133.06476	4.5
133.10114	54.3
135.08067	4.6
135.11688	12.5
137.09631	3.2
141.06973	5.8
143.08522	4.5
145.06438	4.2
145.10117	21.8
147.11678	20.4
149.09625	8.1
149.13223	8.8
151.11189	3.2
157.10133	7.3
159.11664	26.6
161.13245	9.1
163.11165	6.6
165.09140	4.1
169.10152	4.2
171.11647	6.2
173.13257	7.9
175.11172	3.2
177.12721	9.4
179.14284	26.5
183.11723	5.3
187.11160	9.0
201.04323	3.4
219.66527	3.2
233.97821	2.5
239.17978	7.6
241.14304	2.9
257.18979	11.4
272.00174	2.7
275.20050	65.2
349.16711	8.2
349.19977	6.5
349.23590	39.8
367.17880	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	349.237
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	7.0
55.01867	13.1
55.05506	50.5
57.03424	15.2
57.21606	4.7
57.93575	4.8
65.38301	4.8
65.92835	5.3
66.36754	5.0
67.05501	64.8
69.03418	6.1
69.07061	26.2
70.41634	20.7
71.04958	7.3
72.63470	4.5
72.88342	5.6
74.18113	4.4
79.05488	100.0
81.03410	8.4
81.07047	50.6
83.04958	20.4
83.08601	15.8
83.23685	4.5
91.05479	46.6
93.07030	58.4
95.04955	17.3
95.08588	33.9
97.06544	6.6
97.10152	17.5
99.35206	5.2
105.07018	41.9
107.04945	37.7
107.08580	67.2
109.06515	10.9
109.10131	23.4
111.08079	8.7
116.43776	4.6
117.07014	13.6
119.08578	23.6
121.06593	6.0
121.10123	26.2
123.08091	6.4
123.11708	6.2
123.26507	4.6
125.09630	16.2
126.79613	4.5
128.63278	4.4
130.99998	14.4
131.08546	11.2
133.10130	32.4
135.08043	9.6
135.11687	12.4
140.98457	12.9
142.99985	9.3
145.10147	18.7
147.11687	15.4
149.09598	36.9
149.13269	6.1
154.99953	7.2
159.11743	9.1
161.13225	9.8
162.00844	6.0
163.11191	5.3
163.14943	4.7
167.00032	5.8
171.11635	5.3
173.13139	7.2
174.99037	13.9
177.12776	5.0
179.14308	7.0
185.01152	8.7
189.00587	14.3
203.02051	9.6
209.15268	7.9
229.19456	8.2
247.20535	8.6
257.19119	8.4
275.20032	48.1
309.17343	18.0
349.13104	83.4
349.19797	26.3
349.23679	26.8
349.27325	10.4
349.33929	11.9
350.13458	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	349.2371
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	1.5
55.01863	5.5
55.05504	15.5
56.96558	8.0
57.03432	14.4
57.07059	2.8
65.03941	1.1
67.05501	30.3
69.03422	2.3
69.07063	19.4
69.24300	1.0
70.77608	1.5
70.77948	2.3
71.04969	3.0
71.95265	1.3
75.11888	0.8
79.05488	22.4
79.16860	1.0
81.03389	0.9
81.07050	39.9
83.04972	8.4
83.08598	5.1
85.06519	2.2
88.65340	0.9
91.05472	30.0
93.07037	31.9
95.04951	9.7
95.08603	20.2
97.06517	4.2
97.10176	2.3
105.06299	1.8
105.07020	30.4
107.04942	11.5
107.08585	21.8
109.06513	14.1
109.10133	10.2
111.08049	1.9
115.05417	1.0
117.07009	11.3
119.07717	0.9
119.08566	16.7
121.06493	14.9
121.10135	10.9
123.08078	5.1
123.11694	3.1
125.09636	1.4
129.06979	3.1
130.07718	1.2
131.08560	20.1
133.06471	3.9
133.10124	18.9
135.08020	6.9
135.11699	5.9
137.09612	3.1
137.13197	1.4
143.08548	3.8
145.06459	2.5
145.10107	14.6
147.08018	4.0
147.11658	12.3
149.09607	7.0
149.13254	3.7
151.11172	7.8
155.08519	2.6
157.10126	3.5
159.08025	3.2
159.11682	7.9
161.09601	4.1
161.13257	3.8
163.11125	7.1
163.14804	1.4
165.12718	1.1
169.10141	1.9
171.11696	3.6
173.09616	3.8
173.13278	6.1
175.11198	3.6
175.14865	1.3
177.12764	2.7
183.11670	1.8
185.04774	1.3
187.11179	2.1
187.14743	1.8
189.12752	1.6
191.14278	3.4
197.13258	2.1
199.06430	1.6
201.12735	3.7
207.13770	4.4
211.06288	1.0
213.07971	2.9
213.16504	1.1
215.14276	1.4
215.17950	2.7
217.07460	3.3
219.13666	4.9
229.07491	7.3
229.19490	3.3
231.09001	5.3
231.17476	1.4
233.15291	1.8
239.17873	4.4
243.08951	2.2
247.08508	6.6
247.20590	4.0
257.18979	19.5
261.10074	2.3
269.10364	1.4
275.20041	100.0
276.20407	3.7
291.54205	0.9
293.21088	7.7
331.15863	2.2
349.17108	8.8
349.23685	30.3
350.24097	1.2
363.66461	0.9
367.17844	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	349.237
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	2.6
54.64859	1.6
55.01860	7.0
55.05505	11.4
55.97821	1.5
57.03433	18.9
57.07068	1.8
65.03940	3.7
67.05502	29.4
69.03437	2.5
69.07067	21.4
70.70536	5.6
79.05488	24.2
81.07050	38.1
83.04973	6.4
83.08624	3.7
85.06546	2.6
91.05476	22.3
93.07037	33.0
95.04969	10.2
95.08598	20.6
97.06525	3.7
97.10155	1.7
105.07021	32.2
107.04947	11.3
107.08591	19.0
109.06516	12.8
109.10133	9.4
111.08070	3.2
115.12994	1.6
117.06987	9.0
119.08576	18.6
119.84034	1.7
121.06508	14.2
121.10146	10.8
123.08047	5.0
129.07036	3.5
131.08551	16.5
133.06462	2.9
133.10121	20.7
135.08031	4.6
135.11699	7.0
137.09625	2.6
145.10112	16.8
147.07999	6.0
147.11682	12.8
149.09622	7.0
149.13255	6.0
151.11177	6.7
155.08466	1.6
157.10152	2.9
159.11717	10.6
161.09590	3.6
161.13283	4.6
163.11169	7.0
171.11740	1.9
173.09622	3.9
173.13242	6.0
175.11183	5.0
183.11591	4.3
191.14328	4.0
201.12712	2.8
207.13872	4.1
219.13818	3.4
229.19490	2.4
239.17764	2.7
247.20573	4.7
257.18948	18.0
275.20053	100.0
276.20361	3.0
293.20990	9.0
349.19751	1.8
349.23737	32.4
349.27628	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2368
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68452	1.7
52.12165	1.9
53.03933	2.4
55.01868	6.8
55.05507	18.9
56.96552	9.5
57.03430	14.2
57.07067	3.4
67.05499	35.6
69.07056	23.7
70.25426	8.3
70.95850	2.8
72.93792	5.0
79.05483	27.6
81.07047	53.1
83.04961	8.3
83.08607	5.1
90.94799	4.2
91.05476	36.3
91.14608	2.0
93.07037	31.1
95.04949	9.1
95.08602	24.4
97.06508	3.8
105.07012	35.7
107.04971	12.1
107.08584	23.5
108.95848	2.1
109.06515	15.2
109.10126	10.1
111.08073	3.8
117.07017	9.2
119.08571	22.7
121.06480	14.6
121.10110	11.5
123.08040	6.7
123.11703	2.3
129.06963	5.4
130.97783	2.2
131.08566	22.9
133.06567	2.4
133.10130	20.7
135.08041	6.1
135.11690	6.6
137.09586	3.1
143.08559	3.9
145.06534	2.6
145.10127	14.2
147.08012	4.4
147.11668	15.0
149.09604	8.0
149.13266	5.8
151.11153	7.7
155.00041	2.1
155.08540	2.4
157.10124	3.0
159.08049	2.6
159.11681	11.6
161.13255	5.6
163.11174	7.6
163.14758	2.3
169.10092	2.6
171.11655	3.1
173.09636	4.7
173.13268	6.2
183.11618	2.7
187.11139	2.1
191.14236	3.0
201.12723	4.3
207.13881	2.7
215.18057	3.6
219.13780	3.8
229.19504	4.9
239.17953	4.2
247.20560	7.3
255.09093	3.2
257.19006	14.9
267.08957	2.9
268.17581	2.1
269.10620	6.5
275.20047	100.0
276.20422	3.0
285.10049	7.3
289.46576	2.4
293.21094	7.6
342.71631	2.2
349.14420	35.8
349.23697	33.6
350.14761	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	349.2367
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	4.5
55.01849	2.5
55.05500	9.5
57.03431	7.2
59.41178	0.8
65.03911	1.3
67.05497	18.7
69.07061	8.8
70.06519	0.8
71.04293	1.2
71.04646	1.9
75.84634	0.8
77.43534	0.9
79.05482	33.0
81.03426	4.5
81.07044	100.0
83.04952	2.6
83.08612	9.4
85.06508	1.4
86.50639	0.8
91.05470	16.2
91.94387	1.1
93.07030	17.0
95.01323	1.2
95.04960	4.5
95.08595	15.2
97.06495	3.3
97.10168	1.6
99.08041	1.1
105.07021	12.9
107.04957	5.9
107.08598	10.1
109.06502	38.1
109.10147	4.8
111.08049	1.5
114.69450	0.8
117.07024	4.4
119.08572	14.1
121.06479	2.8
121.10145	7.1
123.08098	4.5
123.08839	1.1
123.60582	0.8
125.09609	1.2
129.06998	2.4
130.22697	0.9
131.08546	6.5
133.10107	10.0
135.08014	3.1
135.11682	3.7
137.09573	4.8
143.08626	0.9
145.06499	1.0
145.10063	6.2
147.11647	9.5
149.09621	4.0
149.13210	6.6
151.11101	1.1
157.10112	2.0
159.11620	4.1
161.09592	1.0
161.13202	1.6
163.11121	4.5
163.14772	2.9
165.12720	2.1
169.10074	1.4
171.11731	1.8
173.13228	2.9
175.11156	2.9
175.14890	1.1
177.12656	1.4
179.14185	1.3
183.11642	1.3
215.17857	1.1
229.19513	2.3
236.15541	0.9
239.17744	1.2
247.20540	5.1
257.18936	2.9
274.74481	0.9
275.20026	26.5
349.16809	2.1
349.23636	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	349.2369
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	3.2
55.01869	5.1
55.05266	1.4
55.05504	17.6
57.03434	14.9
57.07053	2.7
60.97977	1.0
65.03915	1.3
65.62201	0.9
67.05499	35.6
69.03412	1.1
69.07059	19.2
70.12243	2.0
70.12640	1.9
71.04975	2.5
71.97897	0.8
74.37350	0.9
75.51596	0.8
79.05482	31.2
81.03410	1.8
81.07049	60.9
83.04971	7.2
83.08620	6.0
83.20489	0.9
85.06524	1.6
91.05473	29.0
93.07033	32.5
93.07635	1.5
95.04961	9.1
95.08597	21.9
97.06501	5.9
97.10149	2.6
98.21410	1.2
105.07014	31.3
107.04942	12.4
107.07877	1.3
107.08578	19.9
109.06506	21.0
109.10132	9.5
111.08068	2.8
115.05413	1.1
117.07012	10.0
119.08566	18.7
121.06486	12.9
121.10123	12.4
123.08051	5.8
123.11688	2.5
125.09632	1.8
129.06992	3.5
130.07773	1.0
131.08542	19.4
133.06477	4.2
133.10115	22.8
135.08009	6.1
135.11699	8.0
137.05927	1.0
137.09589	3.2
143.08536	3.3
145.10101	14.6
147.08014	4.2
147.11665	15.5
149.09584	5.7
149.13251	4.1
151.11197	5.5
155.08553	1.9
157.10074	4.4
158.24979	0.9
159.08037	2.9
159.11688	10.1
161.09589	4.9
161.13268	3.2
163.11162	9.1
163.14771	2.1
165.12720	2.0
169.10146	1.7
171.11623	3.2
173.09621	2.1
173.11931	1.0
173.13200	5.0
175.11151	3.6
175.14772	1.7
177.12776	2.7
179.14310	2.8
183.11649	3.3
184.95625	1.0
187.11177	3.4
187.14825	1.4
189.12718	1.0
191.14265	4.2
193.12193	1.3
197.13264	1.4
199.14854	1.3
201.12674	3.1
207.13791	4.7
209.37709	1.1
215.14325	1.7
215.17921	3.6
219.13759	3.5
219.17252	0.9
229.19496	3.4
231.17404	1.6
233.15240	1.4
239.17822	4.7
247.20544	8.1
257.18951	16.1
275.20038	100.0
276.20398	2.2
293.21033	7.3
318.55124	1.2
324.14600	1.0
349.20004	2.1
349.23697	30.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.1853
Annotation	Schizonepetoside E
Peak:m/z	Relative Intensity
53.03938	5.3
55.01862	5.4
55.05489	5.3
56.05033	3.7
57.03426	6.6
57.07065	3.7
59.04988	3.3
60.04515	3.5
60.72231	1.9
61.02916	8.3
67.05509	9.1
69.03423	30.0
69.07059	14.8
69.64119	12.6
70.06591	8.8
71.04984	35.5
72.08167	2.1
73.02901	4.3
79.05479	12.6
81.03410	13.5
81.07047	78.5
82.07404	2.5
83.04965	6.2
83.08603	2.5
84.04486	5.7
84.08121	4.8
85.02895	84.5
85.06530	2.3
86.09702	9.3
87.04437	3.2
91.03948	3.8
91.05470	3.5
93.07021	8.5
95.04943	2.7
95.08586	6.0
97.02887	24.0
97.06504	6.0
99.04451	11.7
99.08073	6.5
101.06013	4.3
103.03924	5.6
105.03378	2.0
105.07014	2.8
107.08580	17.8
109.02873	8.8
109.06507	5.5
109.10158	23.9
110.07166	2.9
111.08080	4.4
111.11684	4.4
113.05998	2.7
120.04444	3.0
120.08057	2.1
121.10114	2.5
123.08129	2.5
123.11688	43.6
124.07559	3.0
125.09687	2.2
127.03911	26.3
127.07597	1.9
127.11156	3.3
129.10229	2.2
133.10091	4.9
136.07579	3.1
139.11160	13.2
140.07037	2.5
144.03384	1.6
145.04919	11.0
151.11159	43.3
157.12206	12.9
159.09050	2.1
162.05484	2.0
164.07054	4.1
169.12222	100.0
170.12549	2.4
172.03922	3.0
173.12878	4.7
187.04915	1.9
187.13286	30.1
190.04979	10.3
192.06519	3.0
193.08766	1.8
208.06058	6.2
210.98969	2.3
211.08626	1.7
287.14047	1.6
313.11597	2.2
331.12918	9.7
349.13766	11.3
349.17603	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	349.1982
Annotation	(plusmn)-JWH 073 N-(3-hydroxybutyl) metabolite-d5
Peak:m/z	Relative Intensity
50.68379	0.6
55.01860	0.9
55.05490	2.6
57.03425	1.9
59.27946	0.8
59.73240	0.8
67.05486	4.4
68.05007	0.8
69.07051	2.0
69.72354	1.9
69.72755	3.8
79.05494	5.7
81.07047	9.2
84.08116	0.9
91.05469	3.4
93.07030	4.7
95.04960	1.2
95.08592	3.7
96.08135	3.9
105.07029	5.9
107.04894	0.9
107.08591	3.1
109.06503	3.8
109.10113	1.2
112.07582	2.1
116.98551	0.9
117.07023	1.5
119.08554	2.6
121.10124	1.2
123.08076	1.2
128.75455	0.9
131.08539	2.5
133.10101	2.7
135.11656	1.1
135.12627	1.0
137.05725	2.5
138.09132	1.0
145.10091	2.5
147.11703	1.5
149.09633	1.4
149.13277	1.0
159.11693	0.9
163.11168	1.1
163.14722	1.0
171.11723	0.8
214.23621	0.8
247.20628	0.9
253.12833	2.6
257.19061	1.4
271.13959	1.0
275.19986	7.0
349.19830	100.0
349.23264	4.0
350.19946	2.1
350.23450	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	349.1683
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96557	21.8
57.07071	2.3
63.24608	1.4
67.05497	3.3
70.06579	3.9
71.06909	1.6
71.19770	3.4
71.95246	6.2
72.04618	1.5
74.97596	1.6
81.07041	4.9
84.96011	3.1
86.09702	2.2
88.07610	4.0
89.07954	1.7
91.05466	1.4
95.08583	3.8
97.96798	1.7
98.97568	2.2
107.40877	1.8
110.97543	10.4
119.08521	1.4
122.45130	1.8
128.98590	20.2
129.99411	4.3
143.00139	4.2
146.99646	15.1
148.00414	7.2
160.00407	3.8
161.01228	5.8
165.00641	2.4
166.01506	2.3
170.01347	1.9
171.01996	1.9
171.03294	4.7
173.01350	1.5
174.42471	1.6
184.68463	1.7
185.04849	3.6
186.01920	1.7
189.04305	6.8
197.01195	5.0
197.04845	2.1
199.06401	5.9
201.00638	3.9
202.05099	2.2
203.05864	7.7
211.06354	2.5
215.02269	10.4
215.05943	1.4
217.07463	8.7
227.05928	2.7
229.07503	6.4
231.09039	3.0
239.05919	5.6
240.06789	3.7
240.08984	1.8
241.07547	2.3
244.06316	3.3
245.06993	3.3
247.08585	4.6
257.06967	25.9
258.07745	20.3
259.08478	3.2
262.07379	2.0
275.07965	6.0
276.08823	13.8
281.09360	4.7
285.29858	3.3
286.30075	6.3
287.30536	1.9
290.06750	1.9
300.61951	1.7
307.15701	1.8
331.15765	22.1
348.33679	21.9
349.16843	100.0
349.34177	18.1
350.17325	2.5
367.17880	50.9
372.18311	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	349.1391
Annotation	Achillamide
Peak:m/z	Relative Intensity
53.03943	1.4
55.01864	2.0
55.05511	8.1
66.03515	1.2
67.05479	3.5
69.07045	2.7
69.28659	3.2
69.29068	9.8
70.06569	7.0
72.08138	3.9
79.05492	2.8
81.07059	3.0
82.06583	2.5
83.04963	2.6
83.08607	5.6
84.04485	5.0
84.08124	2.6
85.02878	1.9
85.04779	1.8
86.09681	4.5
91.05458	4.4
92.91445	1.4
93.07021	3.1
94.06549	5.0
95.04936	2.8
95.08556	1.4
100.10602	1.7
100.11245	29.5
100.48302	1.4
103.03925	1.5
103.92729	1.1
105.07010	1.2
106.06532	5.1
107.08571	1.6
109.10145	2.1
110.06042	3.7
111.04445	4.1
117.13904	1.3
120.08107	8.1
121.08414	1.2
122.06049	2.8
128.07091	1.9
132.08118	1.7
133.10129	1.4
134.06017	6.6
136.07585	1.9
140.07001	2.5
141.11501	1.6
144.08020	1.7
147.11679	1.3
148.07535	4.1
152.07060	5.7
153.07805	1.8
160.07593	3.7
166.04903	1.6
166.08595	2.5
167.07094	1.4
170.09625	5.0
170.76527	1.5
171.09201	1.5
172.09923	3.2
173.10748	2.0
174.09142	1.6
182.08202	1.5
182.15387	8.6
184.11241	1.9
187.12325	10.4
188.07085	1.6
188.10672	2.3
197.10715	3.7
198.09088	6.9
199.08652	12.3
199.18024	1.8
200.09401	5.5
201.10196	4.9
202.10767	1.5
209.16527	4.8
210.14861	9.1
211.08640	2.1
213.10138	6.0
213.17798	2.8
213.67876	1.6
214.10962	7.5
215.11778	25.2
216.10216	1.6
225.08247	1.5
225.10271	10.0
226.08708	1.9
227.08066	3.7
227.11746	1.8
227.17555	7.2
228.12500	1.5
237.42975	1.4
239.11761	1.5
241.09579	6.6
241.13335	2.5
242.10469	5.3
243.11267	100.0
244.11432	5.8
256.12009	4.5
257.12811	6.2
260.11511	1.8
267.11282	2.6
269.12860	9.8
271.10733	53.9
272.10944	1.8
275.13916	1.5
276.72784	13.9
277.22925	4.6
285.12308	41.7
295.09784	1.7
303.13345	67.9
304.13663	2.9
313.11780	57.0
314.11899	2.4
322.26877	1.2
331.12799	28.1
340.75793	1.4
343.30624	7.9
349.13312	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.139
Annotation	Achillamide
Peak:m/z	Relative Intensity
70.06589	1.2
70.77124	0.7
70.77457	1.0
75.47988	0.4
79.40646	0.5
84.08131	0.5
106.73884	0.4
106.74714	0.5
118.06498	0.6
120.08051	0.6
159.09175	1.0
166.44455	0.5
171.09187	1.0
175.08664	5.3
182.08363	0.9
183.09192	1.3
184.10020	0.7
186.07793	0.7
187.08627	2.6
187.12254	0.8
188.09294	0.6
189.10248	1.1
196.09937	1.5
197.10733	1.4
198.09195	0.7
199.08624	6.0
200.09447	0.6
201.06619	0.7
201.10240	1.6
204.08980	0.7
210.07903	1.3
211.08690	3.8
211.12250	4.7
212.09381	1.5
213.10149	1.2
214.07372	1.3
215.08206	6.5
215.11732	3.9
216.11836	0.5
217.09703	21.3
218.10034	0.7
224.09459	1.2
225.06613	1.3
225.10181	3.6
227.08237	0.6
229.09752	4.3
230.10461	2.1
231.11258	1.4
233.09157	1.2
239.08067	2.0
239.11766	12.4
240.12109	0.6
241.09624	0.7
243.07582	2.0
243.11267	8.3
245.12628	0.6
249.10083	0.5
253.09766	1.9
257.09198	4.7
257.12869	4.1
258.10007	2.0
259.10886	1.2
261.12302	1.9
267.11295	12.0
269.12967	1.5
271.10764	4.4
275.10278	1.7
285.12335	11.1
285.15320	0.4
287.13800	0.8
289.11829	4.1
295.10760	10.0
301.11694	0.5
303.13281	4.9
307.12845	1.4
313.11786	23.9
314.12170	0.8
319.12967	2.4
331.12872	29.6
332.13226	1.5
349.13907	100.0
350.14252	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.025
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96552	4.0
58.99859	6.9
63.81131	0.9
71.51643	1.0
77.00906	3.6
82.99857	1.4
84.08144	1.1
85.01376	5.6
85.02933	1.7
94.29717	0.9
94.99853	1.8
95.01925	1.3
97.02869	1.1
98.97583	1.8
99.02968	2.0
101.00875	10.3
103.02439	38.1
109.01379	1.6
113.00837	7.3
115.02477	1.5
117.03989	29.3
119.01916	42.3
121.03473	22.9
127.02404	9.1
129.00328	2.1
129.03964	9.2
131.01901	49.2
132.01991	1.3
133.03461	4.9
134.24092	0.9
135.05023	26.0
137.02934	10.6
140.05525	1.0
143.01894	9.7
143.05531	5.3
145.03455	100.0
146.03606	2.8
146.99643	1.6
147.01379	14.8
147.03922	1.5
147.05011	12.3
149.02954	15.6
153.03976	3.4
154.03496	0.9
155.01839	5.7
155.05545	3.0
157.03450	3.4
158.06693	1.1
159.05061	1.5
161.01512	1.2
161.02951	14.7
161.06587	7.0
163.04515	35.3
164.04620	1.0
165.00699	1.1
165.02463	2.3
168.05084	2.9
168.99821	6.2
169.03375	5.2
171.01364	6.1
171.05019	66.7
172.05096	0.9
172.50894	1.0
172.99394	1.0
173.02953	17.3
173.06595	6.6
174.03085	1.2
175.00900	1.6
175.04529	1.7
180.99820	1.3
181.03459	10.0
185.02965	2.6
186.54901	1.5
187.00867	10.5
187.04509	27.6
189.02444	14.9
189.06076	23.9
189.07774	1.3
190.98688	1.8
191.04034	5.7
191.65381	1.1
193.02000	2.9
194.06636	4.0
196.99329	4.2
197.02953	21.9
199.00909	7.1
199.04509	36.1
201.02452	3.4
203.04051	1.9
205.00171	1.1
205.02007	1.2
207.01781	1.1
207.03482	5.2
208.99759	1.6
213.02426	4.4
213.05988	1.1
215.00395	19.7
215.03979	29.3
217.01950	6.8
217.05382	1.9
219.03473	1.7
221.05159	1.6
222.06081	1.9
225.02419	16.6
227.00311	1.1
229.01897	9.9
231.03517	3.3
233.01485	2.3
233.04996	4.8
235.03026	3.3
238.05608	1.7
241.01967	9.1
243.03499	43.8
244.03740	2.0
245.01442	7.9
247.02971	26.0
247.78357	0.9
251.02501	2.8
256.45615	1.0
259.03000	10.1
261.04590	5.6
263.02591	2.4
266.05011	2.5
269.01425	6.5
270.04361	1.0
277.04010	4.2
284.06226	1.1
287.02451	13.9
289.04047	3.3
303.72479	1.2
305.03488	3.7
313.00330	4.7
317.03568	1.8
331.01459	14.6
349.02496	10.7
349.10956	4.9
367.03546	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.0251
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96560	3.4
58.99850	4.3
69.03408	3.2
70.50620	1.1
71.51462	2.2
77.00895	5.9
81.03376	1.5
84.08137	2.7
85.01406	6.9
85.02867	3.5
85.56408	1.2
94.99818	1.9
95.01937	1.6
97.02863	3.5
98.97565	4.0
101.00881	18.0
101.16045	1.2
103.02435	38.3
105.00375	1.3
109.01342	1.5
113.00830	10.8
115.02444	1.6
116.98645	2.0
117.03978	25.6
119.01913	76.0
121.03481	24.6
122.03603	1.3
127.02380	9.5
129.00430	1.5
129.03952	8.9
131.01900	68.0
131.92375	1.3
133.03439	7.7
135.05029	28.0
137.02940	12.5
137.62416	1.4
142.03491	2.8
143.01886	16.2
143.05518	3.5
144.99765	3.8
145.03455	100.0
146.03613	3.8
147.01387	11.9
147.05077	12.8
149.02943	23.2
153.03946	3.4
155.01880	13.4
155.05528	2.5
157.03448	3.8
159.01357	1.4
159.05022	4.2
161.01129	2.2
161.02953	24.2
161.06544	8.0
163.04512	42.8
164.04716	1.7
165.02406	2.4
167.97740	1.2
168.05069	4.6
168.99805	12.2
169.03435	5.2
169.06853	1.9
171.01367	4.7
171.05008	62.6
172.05103	2.4
173.02957	32.6
173.06596	6.6
175.00905	1.4
175.04523	2.8
177.02429	2.6
177.54308	1.6
179.01947	1.5
180.99826	3.6
181.03410	12.2
184.04497	1.5
185.02974	6.4
186.04666	2.7
186.54849	2.7
187.00877	18.9
187.02597	2.1
187.04498	28.3
187.07901	2.1
189.02477	11.7
189.06082	24.1
191.03973	6.4
193.02005	3.8
194.06651	3.2
195.01270	1.8
196.99324	7.1
197.02940	19.4
198.63667	1.3
199.00932	12.0
199.04512	36.3
201.02411	4.8
201.06100	2.6
203.03964	7.6
205.03674	1.3
207.03465	5.9
210.02467	1.9
213.02408	5.0
214.98251	2.1
215.00369	42.9
215.03943	29.1
217.01981	8.0
217.05397	2.3
219.03456	4.5
221.05061	2.2
222.06128	2.8
223.00894	2.7
225.02457	14.1
227.00468	3.4
229.01866	13.7
231.03459	7.6
233.01382	3.4
233.05032	5.8
235.02885	3.7
238.01952	2.0
238.05519	2.7
241.01862	10.4
243.03487	37.1
245.01367	10.2
247.02972	44.7
251.02405	2.4
259.02966	16.5
261.04620	6.4
263.02405	1.8
265.05441	1.8
269.01428	6.5
270.04523	4.0
277.04135	7.4
287.02527	13.0
289.03976	4.7
305.03503	4.2
305.06955	1.5
313.00314	5.6
317.03290	1.3
331.01483	16.4
349.02478	12.5
349.06177	2.7
349.11078	10.8
354.49008	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	348.2741
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	30.8
57.03432	10.6
67.05496	71.6
69.07050	23.4
69.76808	9.9
69.77215	35.6
71.04976	9.6
71.08611	7.8
79.05486	40.4
81.07051	100.0
83.08606	18.5
84.71351	6.8
91.05451	29.9
93.07033	29.3
95.08592	24.2
97.06481	8.3
97.10184	6.9
100.13221	8.4
105.06991	13.9
107.08561	24.6
109.06510	29.4
109.10143	59.7
119.08586	18.3
121.10138	13.7
125.09628	12.0
133.10089	14.3
135.11667	8.0
136.06187	9.6
147.11702	12.2
148.37663	6.1
149.13240	11.8
151.11176	7.3
155.10614	10.4
159.11780	7.8
161.13263	8.3
173.11723	98.1
189.11191	11.3
195.13683	19.3
213.14833	10.9
275.20007	17.6
277.21606	30.2
313.44946	6.6
342.48550	7.1
348.18600	9.2
349.23602	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	348.2739
Annotation	Broussonetine M1
Peak:m/z	Relative Intensity
53.03938	1.2
55.01861	1.8
55.05510	4.4
56.05019	3.5
57.03423	1.7
59.07117	0.8
60.04520	100.0
65.03942	1.2
67.05497	12.0
68.05005	0.9
69.03398	1.3
69.07049	2.9
69.40527	7.3
70.06590	5.9
70.68802	0.9
71.04981	1.5
72.04512	2.4
72.08144	2.6
74.06069	2.1
79.05487	8.6
80.04996	1.6
81.03375	1.8
81.07047	12.6
82.06573	2.2
83.04987	1.4
83.08617	2.3
84.04498	15.0
84.08136	3.0
85.02896	4.7
86.06059	1.4
86.09697	2.3
90.05549	1.1
91.05481	8.2
93.07028	7.3
94.06557	2.2
95.04934	1.5
95.08602	10.0
96.08127	1.7
97.02899	1.4
97.06474	0.8
98.09675	1.5
98.28821	0.8
99.04420	2.0
100.07608	1.9
100.11259	4.9
103.03929	5.1
105.07012	5.3
107.08578	5.3
108.08051	0.8
109.02853	1.7
109.06548	0.9
109.10134	4.0
110.05988	1.4
110.07175	1.2
110.09612	0.9
111.04415	1.3
111.08080	1.1
112.07614	1.1
113.09591	0.9
113.33650	0.8
116.07090	1.7
117.06998	1.6
119.08543	4.5
120.08077	3.9
121.10149	5.5
126.05485	2.6
127.03899	2.0
128.07080	1.2
129.06952	1.1
130.08636	3.1
131.08540	3.2
133.10097	3.8
135.08018	0.8
135.11662	2.1
139.62390	0.9
145.04927	1.2
145.10088	2.9
147.11664	2.1
149.13213	1.2
157.10071	1.6
159.11679	2.0
161.13277	1.0
162.97273	1.0
171.11685	1.4
173.13072	1.4
182.15405	1.9
204.08710	1.4
210.14861	1.4
258.22217	1.2
270.24152	1.2
276.23160	3.8
294.24252	6.5
312.25266	10.1
330.11597	1.0
330.26334	27.5
331.12003	1.1
331.26700	1.5
348.12552	1.6
348.27390	51.0
349.27637	2.1
355.51965	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.2188
Annotation	Cortexolone
Peak:m/z	Relative Intensity
51.67379	0.9
52.82775	0.8
56.05017	1.7
57.07064	1.9
58.06580	1.1
67.05489	1.0
70.19774	2.2
74.06080	1.6
88.07614	6.7
89.07949	1.2
91.17489	1.1
95.08591	1.0
110.65965	0.8
118.08588	1.0
136.31081	0.9
140.57635	1.0
193.04939	1.7
224.65781	1.7
241.51651	0.9
257.98816	1.0
268.26151	1.0
285.29865	1.9
298.31055	1.5
299.31384	4.2
304.67667	1.2
347.10175	3.0
347.21866	100.0
347.33380	21.0
348.22086	2.8
365.21701	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.2188
Annotation	Cortexolone
Peak:m/z	Relative Intensity
62.09817	0.7
67.39353	0.7
70.03158	3.8
70.03545	1.5
79.05446	0.9
81.07034	1.5
90.43665	0.9
100.76838	0.7
109.10115	0.7
135.08078	5.0
135.08975	0.9
140.78943	0.9
177.12631	1.7
205.17038	0.8
211.32462	0.8
293.05383	1.0
299.31387	1.0
317.05341	1.2
347.21875	100.0
347.25436	3.6
347.33524	2.4
348.22217	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	348.165
Annotation	Unknow
Peak:m/z	Relative Intensity
50.70751	0.9
54.95399	0.8
55.01858	1.2
56.93926	0.8
57.03426	1.3
61.02908	2.7
69.03419	5.1
70.06587	1.4
71.00321	2.3
72.08150	1.5
73.42593	0.8
81.03432	4.2
83.04950	1.0
83.69505	0.9
84.04491	1.7
84.08133	1.5
85.02900	23.1
86.09690	3.7
91.03939	1.8
91.05472	15.3
95.04956	4.1
97.02870	7.1
99.04443	1.3
109.02879	1.1
110.07124	1.1
116.06995	0.9
119.04932	16.2
120.08123	0.8
121.35545	0.8
123.08066	1.1
127.03896	4.9
129.10155	1.0
133.06583	0.9
136.05179	1.2
136.06160	1.7
136.07455	0.9
137.06012	1.1
145.05028	4.6
151.07530	100.0
152.07864	1.4
168.10172	2.1
169.08609	6.5
180.08578	1.5
186.11227	2.3
193.08557	1.3
198.96754	0.8
321.56738	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	348.1651
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17673	0.9
55.01865	1.6
55.05534	0.9
55.13824	0.9
56.05023	1.6
57.03420	1.7
60.04515	2.9
61.02914	2.4
65.03951	0.9
67.05505	1.3
69.03414	4.2
69.87603	4.3
70.06589	5.1
71.04964	1.1
72.08133	4.3
73.02916	1.4
81.03404	2.7
84.04512	10.2
84.08112	3.6
85.02894	24.3
86.09685	4.4
91.05472	15.2
95.04961	3.1
97.02882	7.6
99.04431	2.7
101.03854	0.9
103.03929	2.6
109.02859	2.6
115.08627	1.3
119.04916	11.4
120.08088	2.5
126.05512	2.6
127.03909	4.7
129.10222	1.5
130.08562	1.0
136.05197	2.4
136.06151	12.4
136.07309	1.3
136.07558	1.2
137.05952	1.7
145.04887	5.4
151.07527	100.0
152.07864	2.0
163.03847	1.4
165.08998	1.1
169.08560	7.3
169.09673	0.8
186.07558	1.2
189.81010	1.0
193.08540	2.8
204.08575	1.2
209.77875	1.0
216.54918	1.0
259.09784	1.2
296.85324	1.0
331.12927	1.3
348.13000	3.3
349.08783	2.3
349.13651	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.1235
Annotation	Miraxanthin-V
Peak:m/z	Relative Intensity
55.01812	4.0
67.05473	0.8
69.03371	0.7
69.07014	0.6
69.30045	0.6
69.30334	5.4
70.06545	1.2
74.02763	0.5
81.06989	0.9
84.04496	2.8
84.08077	0.9
85.02834	0.9
86.09638	1.0
91.05438	0.7
92.04993	0.6
95.08501	0.5
98.20785	1.0
103.03888	0.9
105.06960	0.8
107.08555	0.6
108.04443	1.2
109.02744	0.6
110.05933	1.0
120.08043	1.1
121.06409	0.6
122.05953	0.7
126.05421	0.5
130.06465	0.6
134.05992	0.9
138.05420	1.1
140.07025	0.6
144.08012	0.6
146.05919	0.6
148.03859	1.1
148.33458	0.6
152.03345	1.5
155.08572	0.8
156.08006	1.1
157.07462	0.9
158.09573	1.2
160.03842	1.8
162.05450	1.1
167.07098	1.0
168.08014	0.7
169.08752	0.6
170.09583	1.1
171.09038	1.6
172.07504	1.4
173.10638	0.6
176.07004	1.8
177.09126	0.5
178.04985	4.4
182.09641	0.6
183.09161	1.3
184.07483	1.5
185.07069	3.4
186.07629	0.8
186.09116	1.4
187.05061	2.5
196.07576	0.7
197.07043	1.4
198.07689	1.2
198.09303	0.9
199.08630	5.7
199.12408	0.6
200.07138	0.7
200.08978	0.7
200.10776	1.1
201.06599	4.1
201.10136	2.3
202.08731	0.6
205.06035	1.2
209.06998	0.9
209.10539	1.0
210.09006	1.6
211.08685	2.9
212.09108	1.1
212.10887	1.0
213.06601	8.8
213.10135	5.4
215.08032	0.8
215.11749	1.3
217.28047	0.5
217.83968	0.6
219.07550	1.1
222.07852	0.6
223.08556	1.5
225.06558	0.7
225.10287	0.6
226.08838	0.7
227.04555	0.6
227.08136	11.0
227.11716	4.3
228.06589	1.0
228.10316	0.9
229.09689	4.3
229.13245	0.8
231.07588	5.5
237.10258	3.3
238.08525	3.0
239.08078	2.2
239.11726	0.8
241.06004	0.9
241.09683	8.4
242.10211	0.8
243.07587	1.2
243.11427	0.9
245.09113	1.9
247.10645	0.7
250.07214	0.9
251.08005	1.1
255.07591	12.5
255.11221	9.5
257.09247	3.1
257.12717	2.2
259.07083	1.4
259.10809	2.0
265.09793	5.1
266.08005	1.3
267.07611	2.7
267.11258	0.9
269.09195	9.7
273.08636	6.9
273.12137	1.4
275.10245	1.5
275.13995	0.7
283.07532	1.3
283.10757	28.0
284.11224	1.0
285.08557	0.7
285.12238	0.7
287.10217	4.4
293.09198	8.7
298.09448	0.6
301.11807	7.2
311.10229	49.7
312.10733	2.6
319.12982	3.2
329.11288	94.5
330.11627	4.3
332.05093	0.7
347.12347	100.0
348.12726	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	346.2583
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05488	15.4
67.05498	65.5
71.33654	24.9
71.54771	14.6
79.05507	15.5
81.07038	41.9
83.08585	24.0
93.07025	33.0
95.08592	18.3
105.07015	24.0
107.08591	38.4
109.10132	57.7
163.11223	15.1
173.11707	100.0
189.04619	15.6
189.11261	28.4
195.13786	26.2
242.32645	14.2
275.20078	49.6
316.05142	16.9
346.10168	24.8
368.91583	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	347.1235
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02138	0.6
54.34473	0.7
55.01862	3.8
67.05503	0.9
70.06569	0.8
71.52197	0.9
81.07038	0.9
84.04504	0.8
86.09682	0.8
91.05463	1.0
92.05006	0.9
107.08584	0.7
108.04463	0.8
109.02845	0.7
130.06534	0.6
134.05931	0.8
138.05492	0.7
144.08147	0.8
152.03314	1.1
156.08043	0.6
159.08025	0.7
160.03951	2.1
162.05449	1.0
168.06631	1.0
168.08072	0.7
170.08313	0.9
171.09164	1.1
172.07472	0.7
176.07092	1.0
178.04961	3.3
182.09657	1.1
184.07581	1.1
185.07103	2.3
185.10686	1.4
187.04982	1.9
195.09171	1.5
197.07036	1.4
198.07791	1.2
199.08696	4.7
200.07071	0.6
200.09300	1.2
201.06572	2.8
201.10283	1.9
205.06143	1.3
209.10635	1.4
210.09187	1.4
211.08629	2.1
211.12172	0.8
212.10852	0.7
213.06529	6.0
213.10182	5.1
215.08148	0.8
219.07799	0.8
223.08632	1.2
225.06441	0.7
227.08154	7.5
227.11703	3.2
228.06636	0.8
228.10327	0.8
229.09715	2.9
229.13312	0.7
231.07674	3.7
237.10204	3.1
238.08615	2.1
239.08026	1.4
239.11742	0.9
241.09720	5.2
243.07634	1.0
243.11320	1.4
245.09158	1.1
251.08150	1.5
255.07646	11.0
255.11253	6.8
257.09253	2.9
257.12869	1.4
259.07053	0.9
259.10898	0.7
265.09698	4.0
266.07983	1.2
267.07605	2.8
269.09177	7.4
270.09485	0.9
273.08710	6.9
273.12079	1.2
275.10156	1.3
283.07465	1.5
283.10715	20.3
285.12238	0.9
287.10403	3.4
293.09189	6.8
301.11829	5.0
311.10229	41.2
312.10556	2.1
319.12927	1.8
329.11288	69.5
330.11716	3.2
347.12347	100.0
348.12634	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	346.2334
Annotation	Ile Leu Thr
Peak:m/z	Relative Intensity
56.05010	1.5
56.19432	0.4
69.03419	0.9
69.07063	5.8
70.06588	3.9
71.52291	0.4
72.08154	1.6
74.06087	1.7
81.03382	0.7
84.04488	1.9
84.08131	2.4
85.02893	0.7
85.21080	0.3
86.09695	100.0
87.10027	1.0
88.04044	0.4
89.03913	0.4
91.05465	0.6
95.08564	0.3
97.02903	0.7
98.92812	0.3
98.97566	0.9
102.05532	1.2
105.03362	0.3
109.02893	0.4
110.07182	1.5
113.05903	0.3
116.07114	0.6
116.98631	0.5
117.03365	0.7
117.50283	0.3
119.04942	0.4
120.06548	2.5
120.08118	0.8
123.04433	0.7
124.07623	0.4
124.78198	0.3
127.03955	0.3
127.04965	0.8
129.10233	1.4
130.04996	1.1
130.08673	0.3
133.28748	0.3
134.62364	0.3
136.07582	0.6
137.05986	0.7
138.09143	0.7
145.02858	1.3
147.04398	0.5
149.06004	0.4
151.07530	0.5
152.07108	0.5
153.10278	0.3
166.08627	0.6
177.05466	3.0
178.06181	0.4
195.02911	0.7
199.18030	26.4
215.13914	4.5
215.15839	0.5
219.08115	0.4
227.17516	11.8
233.14943	4.1
235.99591	0.3
237.02733	0.4
237.09129	0.4
243.13326	0.5
259.83728	0.3
260.65881	0.3
265.06564	1.2
274.07199	0.4
300.12289	1.1
301.06989	0.5
301.12427	0.4
316.05298	1.2
328.22287	3.7
331.07697	0.4
346.10059	2.4
346.13889	0.4
347.12668	0.5
353.07639	0.9
365.59418	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1443
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	2.1
55.05506	1.3
56.96556	1.0
60.11665	1.0
65.03937	1.9
67.05496	5.2
68.05023	1.5
69.03411	2.3
69.07066	17.0
70.06590	5.0
71.05009	1.0
71.52952	1.5
72.08146	3.5
73.94779	0.9
77.85789	0.8
79.05482	5.1
80.05002	1.1
81.03385	1.1
81.07045	5.3
83.04967	1.2
84.04488	1.4
84.08141	2.0
85.02905	2.2
86.09692	4.3
89.03926	1.6
91.05485	7.1
93.07052	4.7
93.07565	1.0
94.06569	12.8
95.04963	3.5
95.08593	3.2
96.04501	1.0
97.06486	1.2
98.97579	2.6
103.05477	5.3
103.19948	0.9
105.06986	5.2
107.04960	8.2
107.08601	3.0
108.08137	1.8
109.06502	3.8
109.10155	3.2
110.06061	1.6
111.08040	1.5
112.07558	2.4
115.05441	2.2
116.04991	5.6
116.98615	1.3
117.06961	2.2
117.51286	0.9
119.04936	1.6
119.08591	2.6
120.08125	1.5
121.06518	2.7
121.10184	1.0
122.06022	22.6
123.04421	3.7
123.08092	1.5
123.11681	1.0
125.09605	2.2
127.03908	1.0
129.07002	3.3
131.00168	1.1
131.04906	4.4
131.08569	1.3
133.06502	2.0
135.04446	1.3
135.08052	2.7
136.05182	1.4
137.05991	5.9
137.09607	2.5
140.07059	48.1
144.04446	14.1
146.06012	9.8
147.04340	1.0
147.11652	1.7
149.02339	1.0
149.05983	3.2
150.06763	2.8
151.07532	10.3
153.01851	6.5
157.06477	2.9
161.05972	8.3
161.09676	1.6
162.05522	8.6
163.03880	1.0
163.06244	1.6
163.07518	8.9
164.07092	1.4
164.08321	4.3
165.09125	10.9
165.12796	2.1
166.05038	1.1
167.07037	2.0
172.03929	63.8
173.04259	2.2
173.12949	1.7
174.05528	3.8
174.06850	1.3
175.07506	1.2
176.07138	1.1
177.00705	1.6
177.09204	1.2
178.06355	1.3
179.07076	1.8
181.06416	1.2
181.08653	1.3
189.09090	8.5
190.04976	3.3
191.02287	1.2
191.07045	2.2
192.06604	1.3
194.04416	1.8
195.07953	2.4
204.06549	100.0
205.06915	3.3
206.08147	16.1
207.08344	1.4
207.10181	3.2
209.09586	1.5
212.10603	2.0
216.04385	1.4
223.07544	1.3
225.07500	1.3
231.06551	2.3
240.10275	1.4
241.12236	1.7
244.12833	1.0
245.04233	1.0
255.02950	3.7
259.06003	2.2
267.10187	2.0
267.13855	1.1
268.09760	2.1
269.04324	1.9
269.11975	1.3
287.05325	4.8
295.09695	1.3
299.12946	2.7
300.02747	1.5
300.12296	9.3
301.14447	3.6
305.06631	1.1
313.11011	5.0
314.11465	1.1
315.04950	21.1
315.08575	1.3
316.05350	1.7
328.11768	2.6
330.07315	6.9
331.12924	3.4
345.09732	32.1
345.13983	5.2
346.09796	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	345.1442
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	1.5
55.01858	1.4
55.05498	2.9
55.72348	1.2
56.96544	1.2
67.05492	7.3
68.05017	1.9
69.03416	4.7
69.07056	5.9
70.06584	8.5
71.04992	1.2
71.52733	1.5
72.08144	4.0
74.06077	2.7
76.21838	1.2
79.05470	4.5
81.03411	3.0
81.07049	5.5
83.04986	1.3
84.04487	3.7
84.08136	7.9
84.46851	1.2
85.02895	3.6
85.06538	2.0
86.09701	12.0
89.03931	1.8
91.05463	3.7
93.07005	3.0
94.06561	14.4
95.04945	3.7
95.08591	2.5
97.06529	1.6
99.04459	1.4
99.08051	1.3
101.07132	1.3
105.07021	1.7
106.98705	1.1
107.04998	1.9
107.08607	3.0
108.08128	2.3
109.06525	1.8
109.10150	4.8
110.06046	2.5
110.07127	1.3
112.07590	2.7
116.04969	6.6
119.08594	2.5
120.08069	1.8
121.06497	1.6
121.10154	2.2
122.06010	21.6
123.04403	1.8
123.11656	1.5
125.09644	2.1
127.03947	1.4
129.10222	4.8
131.04944	1.6
131.08543	1.5
137.05980	4.7
137.09607	6.8
139.11140	3.3
140.07056	29.1
144.04439	13.3
146.06012	8.0
149.09622	1.9
153.01849	3.0
162.05444	8.5
165.09131	5.5
165.12750	1.7
167.07056	1.8
172.03915	57.0
173.04289	2.1
174.05577	3.5
178.06290	3.8
183.13771	16.2
187.14418	5.2
190.04948	2.4
201.11024	1.4
204.06541	100.0
206.08105	15.0
215.13771	1.7
216.04303	2.4
227.03416	1.5
227.21545	1.4
231.06482	2.3
244.03712	1.8
255.02818	6.5
259.05963	1.8
269.04617	2.4
283.02213	2.8
287.05487	6.8
297.04120	2.6
300.02643	3.5
313.10709	2.8
315.04965	37.1
315.08612	2.3
316.05148	2.4
327.13614	1.7
330.07306	9.9
331.12994	1.8
345.09723	53.6
345.14191	7.6
345.22281	2.2
346.10153	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	344.2427
Annotation	Unknow
Peak:m/z	Relative Intensity
62.79744	3.0
67.05477	5.8
69.07057	5.2
69.72788	18.4
74.36578	2.4
76.24505	2.8
79.05497	5.5
79.50224	2.8
81.07052	4.2
84.73293	2.8
91.05465	6.7
92.99150	2.8
93.07031	4.6
95.04947	3.1
97.06521	23.8
105.06999	2.6
109.06500	3.5
115.07590	3.1
148.63852	3.6
159.07954	2.9
160.79590	4.1
163.24362	3.0
178.06238	5.8
216.04202	3.7
221.15205	3.0
228.77983	3.1
231.06529	4.0
244.03465	3.8
255.02847	16.7
259.06042	4.6
287.05536	13.2
297.03580	3.8
300.02542	5.9
315.04901	62.9
330.07352	18.4
337.97726	2.9
345.09665	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1442
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.5
55.01850	0.4
55.05498	0.9
56.05032	0.7
60.04509	0.4
65.03918	0.6
67.05506	2.8
68.05029	0.8
69.03416	0.9
69.07059	5.0
70.06580	2.9
71.52554	0.4
72.08158	2.0
79.05477	1.1
80.05017	0.7
81.03434	0.5
81.07049	0.9
83.04966	0.3
83.39236	0.3
84.04499	0.4
84.08156	2.1
85.02932	0.8
86.09699	2.4
86.99035	0.5
88.03962	0.4
89.03918	1.5
91.05470	1.0
91.11440	0.3
93.07038	1.0
94.06563	14.7
95.04968	3.1
95.08598	0.5
96.04473	0.5
97.02840	0.4
97.06523	0.3
99.08081	0.5
103.05440	0.5
105.07010	0.5
107.04976	0.5
107.08573	0.7
108.08097	1.5
109.02847	0.3
109.06484	0.4
109.10118	0.8
110.06035	1.9
110.07172	0.7
112.03998	0.4
112.07613	1.9
115.84200	0.3
116.04964	7.8
116.05716	0.6
116.98611	0.3
118.06544	1.1
119.08580	0.8
120.08081	0.7
121.10149	0.5
122.06022	23.9
123.04406	0.7
125.09571	0.3
127.03853	0.4
129.10234	1.3
131.01602	0.9
131.08456	0.4
132.04424	0.4
134.06004	0.8
136.07568	0.6
137.05971	0.7
137.09654	0.4
138.09128	1.3
140.07051	30.9
141.07677	1.0
144.04431	17.2
144.10100	0.3
145.05006	0.6
146.05986	7.9
146.11650	0.3
147.06633	0.3
148.07564	0.6
149.09622	0.9
153.01721	0.5
154.08577	0.4
162.05478	6.7
162.06776	0.5
165.12772	0.3
167.07036	0.8
172.03915	61.1
173.04285	1.7
174.05510	3.2
178.06259	0.6
178.08626	0.9
183.13809	3.4
190.04971	2.6
191.05528	0.6
204.06540	100.0
205.06926	3.4
206.08115	15.5
206.10103	0.6
207.08369	0.6
216.04135	0.6
221.06174	0.4
231.06415	0.6
240.09953	0.4
244.03685	0.6
255.02861	2.4
259.06018	0.4
269.04413	0.7
283.02405	0.5
285.06970	0.6
287.05435	2.0
299.13907	0.4
300.02591	1.0
300.12228	1.2
313.11563	1.5
315.04980	9.9
316.05347	0.9
317.07108	0.4
327.13232	1.2
330.07239	2.5
331.12863	2.6
345.09579	14.4
345.14233	3.7
346.09976	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.1337
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	1.5
55.01844	0.9
55.05494	0.6
57.03427	1.1
61.02906	2.4
64.11742	0.6
65.03934	0.9
69.03419	4.6
70.06587	4.3
71.04999	0.7
71.51875	0.9
72.08128	1.6
73.02884	1.0
77.15322	0.7
79.24219	0.6
81.03407	1.6
83.80719	0.7
84.04481	1.2
84.08121	2.1
85.02898	18.7
86.09706	3.9
91.03955	0.8
91.05477	7.1
95.04960	1.3
97.02878	4.6
99.04440	1.2
105.03366	0.9
109.02868	1.4
110.07181	0.9
116.07015	1.1
119.04108	1.3
119.04932	19.6
120.08102	1.0
123.04409	2.8
127.03908	2.8
129.10220	1.8
136.07501	0.7
137.05936	1.4
145.05008	3.3
147.04393	100.0
148.04704	1.6
164.07133	1.0
165.05464	46.5
166.05769	0.8
180.08662	1.6
182.08080	1.3
189.05185	0.7
190.41879	0.6
300.02594	0.7
315.04819	4.1
326.12253	1.3
330.07260	1.1
332.14371	0.7
345.09644	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	345.1442
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	0.5
55.05507	0.8
56.05041	0.6
65.03942	0.9
67.05490	3.0
68.05009	0.7
69.03418	0.5
69.07069	4.2
69.92515	2.1
70.06599	1.9
72.08152	0.9
73.02866	0.3
79.05487	1.0
80.04993	0.8
81.03423	0.5
81.07044	1.0
83.04958	0.6
84.04504	0.5
84.08124	1.2
85.02879	0.8
86.09703	2.9
89.03917	1.3
91.05472	0.6
93.05753	0.8
93.07030	0.4
94.06561	12.8
95.04959	2.4
95.08582	0.7
96.04484	0.8
97.02877	0.7
97.06511	0.5
105.07022	0.6
108.08096	1.3
109.02885	0.5
109.06526	0.4
110.06063	1.8
112.07606	1.8
116.04969	8.0
118.06554	0.6
120.08094	0.7
122.06017	22.0
123.04428	1.4
124.07616	0.4
129.10190	0.9
134.05991	0.8
137.05974	1.0
137.09605	0.6
140.07051	29.3
141.07796	0.7
144.04431	14.5
145.04942	0.6
146.05992	7.9
147.06650	0.4
148.07507	0.4
154.08627	0.5
162.05496	8.7
164.06960	0.4
172.03917	61.4
173.04306	1.9
174.05507	3.4
175.41649	0.4
176.07108	0.5
178.06090	0.4
178.08575	0.9
181.06514	0.4
185.07066	0.4
187.14406	1.0
190.05022	1.9
192.10257	0.4
204.06540	100.0
205.06883	4.0
206.08107	13.9
207.08363	0.6
250.08691	0.4
255.02837	1.1
285.11853	0.6
287.05438	1.3
297.03775	0.6
300.12344	1.7
313.11636	1.7
315.04938	6.0
327.12967	1.0
330.07306	1.6
331.12769	2.3
345.09622	9.6
345.14258	3.5
346.10043	0.7
361.02417	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.2266
Annotation	(13S,14S)-epoxymaresin
Peak:m/z	Relative Intensity
53.03942	5.3
55.01863	6.5
55.05502	24.2
57.03416	6.4
57.07063	10.9
59.04990	6.4
60.08630	4.0
67.05508	34.0
69.03412	10.3
69.07056	11.7
70.26957	7.9
70.27341	14.5
71.04983	23.9
77.33893	4.8
79.05479	29.0
81.07052	34.8
82.16057	4.0
83.04984	5.3
85.06539	5.4
91.05470	36.6
93.06492	6.6
93.07038	78.3
95.04961	73.3
95.08604	95.3
97.06503	14.8
105.07019	87.4
107.08586	61.5
109.06486	19.4
109.10120	4.9
115.05397	5.1
117.07009	31.8
119.08560	30.9
121.06480	17.9
121.10122	20.2
123.08058	30.4
128.06180	5.4
129.06955	6.6
130.07770	13.5
130.77710	4.4
131.08527	14.6
133.06464	8.1
133.10118	16.5
135.08020	29.6
135.11690	17.4
137.05933	5.6
137.09595	9.9
141.97581	5.0
143.08522	14.5
145.10117	74.2
147.08011	14.6
149.09543	7.3
151.07527	40.7
153.09291	4.8
157.10101	9.7
159.11650	9.7
161.09587	10.0
163.07568	6.0
163.11157	64.3
165.09065	21.0
169.10115	8.6
173.09660	8.0
173.13153	7.2
177.09018	8.5
179.06996	5.1
181.10211	6.1
183.11696	4.6
187.11163	7.7
189.12714	14.7
193.21600	4.2
203.14250	9.0
207.10036	7.5
207.13741	7.5
209.15369	8.8
221.15353	30.8
240.23274	7.3
248.26578	5.2
263.16202	7.0
272.46021	4.0
291.60294	4.2
325.21396	12.5
339.59229	5.3
343.22656	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.0907
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	0.7
55.27178	0.6
55.70722	0.6
56.96572	1.3
58.99563	0.8
69.03420	1.9
70.06584	4.1
70.68331	1.4
70.68732	1.2
71.67905	0.7
72.08135	3.0
73.02921	0.6
73.93956	0.7
83.06096	1.4
84.04485	0.9
84.08128	0.9
84.86012	0.6
85.01057	0.7
85.02906	3.8
86.00664	0.7
86.09696	1.3
91.05460	1.0
94.06536	0.7
95.06099	0.7
97.02872	1.8
109.02840	0.8
112.02162	4.7
115.31876	0.6
116.07074	2.4
119.01880	1.1
119.04915	1.5
121.07668	1.0
123.04422	1.4
124.07645	0.8
127.03899	1.4
129.06575	0.9
130.00230	0.7
131.01868	1.2
136.07573	6.6
137.06012	1.0
137.07089	2.1
141.06599	0.7
145.04996	1.0
147.53043	0.6
151.03253	3.1
153.06554	13.2
155.00314	1.1
155.01880	0.8
158.06554	1.3
161.00302	1.0
163.23949	0.7
164.01668	0.8
164.07022	3.9
165.05417	1.7
165.06619	7.5
167.08192	1.4
169.06073	1.5
173.02899	0.7
177.00766	1.0
179.06383	1.9
179.08098	0.8
181.06047	1.2
182.08109	6.5
182.94370	1.3
188.07761	0.9
191.08167	3.4
192.08881	1.0
197.03781	21.4
197.12782	0.7
205.00269	0.9
207.95078	1.0
208.95979	0.7
213.06807	0.9
215.04855	1.5
223.05345	2.8
225.06883	12.3
228.94139	0.9
238.09308	1.1
241.04160	0.7
241.06386	13.7
245.05135	0.9
269.05911	13.5
280.07477	10.0
281.07480	0.7
298.08499	2.6
309.25848	0.8
326.08011	25.2
326.11893	1.3
327.08350	0.9
344.09088	100.0
344.12973	5.7
345.09372	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	344.1338
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	0.9
55.01879	0.6
56.05010	0.8
57.03418	0.9
61.02908	1.7
61.97865	0.5
62.77740	0.5
69.03423	5.1
69.07040	0.9
70.06585	10.1
70.65053	2.1
72.08140	1.9
73.02926	0.9
74.06083	0.9
81.03402	1.6
84.04493	1.3
84.08124	3.1
85.02899	15.8
86.09706	7.2
87.04456	0.9
91.03910	0.6
91.05470	6.1
94.06522	0.6
97.02888	3.1
98.54931	0.6
108.08109	0.9
109.02849	1.6
110.07108	0.7
116.07102	1.4
119.04934	20.4
123.04433	2.0
127.03929	2.9
129.10188	4.1
136.07558	0.7
145.04961	3.3
147.04399	100.0
148.04758	2.1
148.07547	0.6
163.06000	0.9
164.07069	0.6
165.05464	47.5
166.05713	0.9
180.08604	1.3
182.08105	1.0
201.12440	0.6
204.67642	0.6
212.42218	0.5
247.11263	0.9
255.02917	1.2
287.05478	0.9
287.15601	1.1
315.05020	2.9
325.84070	0.6
330.07181	0.7
330.14661	0.6
339.54468	0.5
343.18735	0.6
344.13287	1.3
345.09723	4.5
347.21359	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.2264
Annotation	(13S,14S)-epoxymaresin
Peak:m/z	Relative Intensity
53.03947	8.1
55.01861	9.6
55.05488	19.1
55.86210	4.0
57.03423	11.1
57.07058	12.3
59.04967	9.1
66.31628	4.5
67.05484	20.9
67.91072	4.2
69.03407	13.4
69.07065	9.0
70.56380	7.4
71.04996	30.0
77.43760	4.1
79.05474	28.7
81.03407	6.8
81.07047	34.8
83.04973	4.3
85.06555	5.2
87.04433	7.6
89.93936	4.0
91.05470	42.7
93.06485	7.8
93.07030	89.6
95.04961	75.6
95.08600	96.5
97.06513	18.8
103.73878	4.0
105.07014	97.1
106.07399	5.0
107.04943	4.5
107.08585	65.3
109.06512	19.8
109.10111	7.7
115.05457	6.4
117.07014	31.5
119.08583	32.2
121.06491	13.0
121.10122	19.9
123.08051	36.1
125.05891	6.7
129.06949	10.8
130.07741	12.7
131.08606	9.0
131.11505	4.6
133.06470	11.0
133.10135	25.8
135.08075	31.6
135.11671	16.0
137.05948	7.9
137.09601	6.2
143.08528	10.4
145.10115	100.0
147.08026	17.5
147.11652	7.8
149.09546	7.9
151.07538	49.4
157.10095	7.9
159.11684	9.7
161.09630	11.5
161.13208	6.3
163.11186	76.8
165.09117	18.9
171.11716	8.3
173.09608	7.9
175.11137	8.1
177.09123	7.8
179.07097	5.2
187.11121	8.9
189.08899	4.9
189.12737	14.1
197.13200	8.0
203.14311	11.8
207.13705	8.1
209.15207	4.3
221.15283	28.0
239.11754	4.5
240.23180	24.9
263.16382	10.4
269.15326	9.4
286.19202	10.6
316.48856	4.6
325.21643	10.3
343.22635	94.7
344.22925	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	343.2265
Annotation	(13S,14S)-epoxymaresin
Peak:m/z	Relative Intensity
52.44292	4.2
53.03929	5.2
55.01855	5.0
55.05503	22.9
57.03419	12.8
57.07058	15.6
58.06578	4.9
61.83600	3.8
67.05492	31.7
69.03412	13.3
69.07036	12.7
70.06572	4.5
71.04977	22.2
71.52567	5.8
79.05492	25.0
81.03391	4.2
81.07043	34.3
82.51476	5.7
83.08612	6.0
85.06521	7.1
91.05464	47.6
93.06485	6.8
93.07029	85.4
95.04958	66.6
95.08597	83.9
97.06525	20.7
104.46888	4.3
105.07022	100.0
107.04913	6.5
107.08580	67.0
109.06500	17.6
109.10152	10.1
115.05479	7.7
117.07008	35.4
119.08578	31.9
121.06466	17.8
121.10098	18.8
123.08048	30.9
127.31100	5.7
128.99255	4.4
129.06911	5.7
130.07761	17.2
131.08533	15.0
133.06494	12.2
133.10092	17.2
135.08043	25.9
135.11662	19.8
137.06010	5.2
137.09622	8.5
142.07776	5.8
143.08516	13.3
145.10110	92.1
147.08018	14.6
149.09489	7.6
151.07503	59.3
153.09105	5.3
156.09311	5.8
157.10123	8.5
159.11688	8.9
161.09578	10.0
163.07466	4.6
163.11182	63.3
165.09090	20.2
171.11714	4.9
173.09532	7.4
173.13232	4.8
175.11116	5.0
179.06958	7.0
183.11621	7.6
185.09695	4.4
185.13185	5.3
189.12784	11.1
191.14348	5.6
197.13240	4.8
203.14253	13.0
207.13759	8.7
209.15294	6.4
215.14339	4.6
221.15324	24.8
233.15514	6.8
240.23198	12.1
263.16379	7.2
269.15308	6.8
297.11304	4.9
325.21448	10.9
325.25012	4.7
343.11642	11.1
343.22650	93.0
343.26614	4.1
344.22870	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	342.2636
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	37.3
55.91486	28.4
57.07080	27.2
67.05490	43.5
69.07080	58.4
70.29625	31.1
70.77393	74.4
79.05494	33.2
81.07053	100.0
83.08609	31.3
91.05492	32.7
95.08608	48.8
107.04967	38.7
107.08575	40.2
109.06513	28.1
121.10106	33.9
147.11847	25.1
154.99437	31.7
198.46104	25.1
275.20148	78.2
293.21103	49.5
307.22592	54.9
342.26672	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	343.0209
Annotation	Unknow
Peak:m/z	Relative Intensity
71.04790	4.1
73.78780	2.0
98.97583	9.6
116.98606	5.2
123.10246	2.1
134.99677	3.0
177.00958	7.4
178.01129	2.2
201.07227	2.7
216.98787	4.1
219.01996	15.7
220.02206	3.3
221.01743	5.4
234.99820	16.0
236.00005	3.7
236.99557	4.7
240.99176	3.8
253.00861	3.6
258.99960	28.7
260.00125	2.3
260.04718	2.7
261.00366	3.2
261.02905	13.7
264.99219	3.2
276.98013	3.2
277.00961	22.2
278.01248	4.1
279.00613	3.7
282.96878	2.8
282.99915	55.2
284.00052	7.8
284.99994	5.9
300.97607	9.4
301.00980	100.0
302.01089	15.3
303.00815	10.4
304.01001	3.7
312.85126	2.4
318.98624	15.1
319.02206	7.1
324.02542	4.3
325.01059	10.0
343.02078	54.9
343.08466	4.0
344.02280	6.5
360.99579	5.2
361.03375	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	342.1445
Annotation	Unknow
Peak:m/z	Relative Intensity
50.76054	0.5
51.15073	0.6
55.01860	1.4
55.05492	0.7
56.05013	0.7
68.05016	5.0
69.03419	0.7
69.05807	3.9
69.07057	0.8
70.06600	3.8
71.32687	0.9
71.33025	0.7
79.05485	1.3
81.03399	0.8
81.07075	0.6
84.04497	23.7
84.08131	0.5
85.02908	3.6
86.09694	1.6
86.73096	0.5
87.50452	0.7
91.05473	4.6
96.04483	3.6
97.02902	1.4
105.06991	0.6
106.06575	1.2
107.04920	1.4
107.64182	0.6
108.08116	1.1
114.05499	4.0
118.06546	0.7
119.04930	2.5
121.59668	0.6
123.09158	1.1
124.03912	0.6
127.03942	0.7
128.06178	1.1
129.07008	6.7
130.06470	1.4
131.04956	0.8
131.07294	3.5
131.08514	0.8
132.08092	1.6
134.06007	21.0
135.06790	16.8
136.07578	5.9
137.02440	0.6
141.06990	1.1
144.06609	0.8
144.08119	0.7
145.04959	1.2
145.06488	1.6
145.08836	1.9
146.06078	0.9
146.09616	1.2
151.03961	0.7
151.05022	2.1
151.08649	1.8
153.06566	7.2
157.06471	2.0
161.05977	0.6
169.06441	1.2
174.09140	19.0
177.05376	0.9
179.08144	10.1
181.06090	4.9
181.09811	0.9
184.07423	0.5
186.09132	12.6
189.06590	1.1
201.83949	0.6
202.08824	0.7
203.11816	2.2
207.07649	14.9
213.10252	6.5
214.08765	0.6
231.11229	1.7
257.12030	1.2
266.12622	4.1
266.62766	0.8
271.69107	0.6
275.13196	2.8
275.63092	0.9
310.11417	0.9
314.14853	1.5
321.64206	2.5
324.09766	1.0
324.13321	5.1
330.64587	3.6
331.14960	1.1
342.14453	100.0
343.11337	1.4
343.14859	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	340.2843
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	18.8
57.03424	2.3
57.07049	5.9
59.13110	1.5
60.04520	29.8
67.05494	9.6
69.07063	30.3
69.54427	12.8
71.08616	3.5
79.05468	3.6
81.07047	16.5
83.08611	17.5
91.05458	5.0
93.07026	6.8
95.08604	14.1
97.06519	2.7
97.10154	12.6
100.11247	4.4
105.07018	4.0
107.08566	3.6
109.10135	7.3
111.11692	3.5
114.12791	10.9
119.08587	3.4
121.10110	3.2
123.11677	2.5
125.13283	1.8
128.14337	2.3
131.65683	1.5
133.10095	3.5
135.11649	3.2
137.13191	1.8
149.13246	2.2
161.13261	2.2
162.75899	1.5
168.13779	3.0
175.14833	2.1
182.15349	7.5
200.16405	5.0
245.22522	3.4
247.62411	1.6
263.23755	6.8
264.65332	1.7
280.26324	43.6
298.27386	65.0
304.19507	1.8
322.27417	7.3
340.28467	100.0
341.28845	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1548
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96561	15.3
57.03438	3.7
57.77998	3.0
61.49516	2.9
69.03418	11.9
69.07052	2.9
70.06581	10.0
70.16338	14.6
71.04988	3.0
71.08586	3.7
73.02917	7.9
73.04754	7.4
79.39379	3.5
81.03410	4.8
84.04532	4.1
84.08145	7.7
84.96029	4.5
85.02911	18.5
91.05805	26.5
97.02876	11.7
98.97561	17.2
105.87964	3.3
107.04909	4.4
110.07201	5.5
110.97549	5.0
112.07571	18.7
116.98622	10.7
119.01846	3.6
120.96796	2.9
121.01609	7.1
127.03914	3.9
128.98581	5.1
130.08595	5.5
133.01723	4.5
134.99669	12.1
136.06166	13.6
136.07684	3.1
137.05994	4.2
146.99593	8.0
149.02850	3.7
156.03394	3.7
158.06627	12.6
161.02870	3.1
164.73291	3.5
167.07144	3.8
170.06665	5.2
170.99574	4.9
173.02754	6.2
174.04367	14.3
176.07686	21.3
177.00662	3.2
180.08797	3.6
182.03343	4.6
186.04359	11.0
188.07655	9.9
189.00742	5.9
191.03915	8.6
204.05428	14.8
209.07668	4.4
211.11780	3.9
212.07672	25.1
213.94736	3.8
219.01768	8.3
225.10788	9.3
230.08638	20.0
236.04469	7.8
237.02792	11.7
243.11806	7.4
251.12416	43.2
252.05615	15.3
252.12448	5.3
256.04739	3.5
257.03073	4.6
261.06213	7.1
263.12381	21.6
267.71835	3.3
269.13394	30.8
281.13434	100.0
282.13718	3.7
341.12332	3.3
341.30536	5.9
359.02756	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	339.2893
Annotation	Glycidyl oleate
Peak:m/z	Relative Intensity
50.86422	1.6
53.03944	2.3
55.05510	47.2
57.03205	1.8
57.03438	20.8
57.07078	18.1
67.05194	2.1
67.05508	27.0
69.07064	60.2
69.26040	17.6
69.51694	1.6
71.08636	8.5
74.27016	1.6
77.13194	1.7
79.05487	13.3
81.06597	2.4
81.07050	37.2
83.04956	2.3
83.08158	2.8
83.08616	37.0
85.10168	5.1
91.05476	3.3
93.07031	14.5
95.08603	31.6
97.06544	8.1
97.10155	19.4
99.08060	2.1
105.07001	1.6
107.08585	10.3
109.10145	13.4
111.08083	2.9
111.11697	6.7
121.10141	12.2
123.11691	4.6
125.09619	2.7
135.11679	10.8
139.11186	2.6
144.67583	1.6
149.13252	5.5
163.14876	2.9
177.16336	2.1
241.89665	1.9
247.24214	4.3
265.25293	4.6
290.52652	2.0
310.05307	1.8
339.28925	100.0
340.29288	6.5
355.42322	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	340.2842
Annotation	N-oleoyl glycine
Peak:m/z	Relative Intensity
54.99036	0.8
55.05508	17.8
55.31536	0.9
56.05027	1.5
57.07068	4.4
60.04233	1.7
60.04522	29.5
67.05500	8.7
69.03458	1.1
69.07063	25.5
69.54475	5.5
69.54888	1.5
71.08594	1.7
79.05473	3.3
81.06590	1.2
81.07047	13.4
81.52448	0.8
83.08613	16.0
91.05472	2.1
93.07013	3.6
95.08600	12.1
97.06490	1.1
97.10145	8.2
100.11254	1.9
105.06995	2.5
105.22047	0.8
107.08566	3.1
109.10124	7.4
111.08106	1.1
111.11690	3.6
114.12798	9.0
119.08554	3.1
121.10128	2.0
123.11664	2.4
125.70815	0.8
128.14442	1.0
133.10106	2.7
135.11626	1.1
137.13257	1.6
142.10155	0.9
147.11673	2.4
149.13344	1.4
151.14774	1.0
154.15825	0.9
161.13229	1.9
163.01366	0.8
163.14812	1.5
165.12776	1.0
167.14391	0.9
175.14828	2.0
177.26215	0.8
182.15401	5.5
189.16243	0.9
200.16385	2.6
245.22589	2.4
253.05078	0.8
263.23672	4.7
280.26297	10.3
298.27390	14.4
312.96112	0.9
322.27438	2.6
340.28448	100.0
341.28757	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	339.2526
Annotation	11,12-DHET
Peak:m/z	Relative Intensity
55.01863	12.6
55.05484	12.2
57.07082	5.1
63.29155	4.8
67.05495	31.0
69.03413	19.3
69.07063	41.3
70.06583	10.5
71.04446	11.0
71.04980	11.9
73.68993	4.8
75.75233	5.1
79.05477	22.7
81.07050	100.0
83.08608	8.9
85.06555	8.9
87.04460	9.9
91.05449	9.9
93.07061	35.7
95.04964	8.0
95.08587	61.2
97.06506	17.8
97.10186	7.5
99.04433	14.8
99.08069	17.3
105.06993	16.9
106.54288	5.1
107.08571	46.7
109.06499	9.5
109.10139	44.0
113.05975	7.6
115.03913	12.8
117.03352	6.8
119.08559	22.5
120.08032	8.5
121.10117	29.8
123.11696	23.4
125.05974	56.5
125.09597	7.4
131.08549	8.0
133.10136	15.1
135.11682	41.9
137.09651	6.1
137.13223	18.7
139.07544	6.9
139.11143	9.9
143.07033	8.9
145.10094	6.6
147.11690	11.7
149.06013	5.7
151.11174	11.3
153.09131	6.1
163.14853	5.9
175.14775	7.6
177.05415	13.1
179.10727	13.7
187.14813	12.7
191.17928	27.6
193.12132	6.4
195.17461	12.0
216.06584	6.7
218.99385	5.5
230.93803	5.6
247.17084	7.6
249.08673	5.0
303.23175	42.2
321.24197	82.8
339.12259	6.4
339.25177	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	339.2527
Annotation	11,12-DHET
Peak:m/z	Relative Intensity
50.77968	2.6
55.05507	17.4
55.70329	2.4
56.84522	2.3
57.03428	5.0
57.07057	6.4
65.03954	3.4
67.05499	100.0
69.07059	8.0
71.04955	4.7
71.13828	4.2
71.14155	4.0
73.76859	2.7
75.04459	3.3
79.05486	45.2
81.07049	94.8
83.04967	3.5
83.08616	6.7
83.33280	2.9
91.05473	25.6
93.07039	56.3
95.08599	98.8
96.08911	3.5
97.06520	3.1
97.10153	5.7
105.07018	25.0
107.08598	36.2
108.04562	3.2
109.06469	3.6
109.10149	59.1
111.08030	3.2
117.07008	10.3
119.08580	20.6
121.10130	42.0
123.11700	17.9
125.09538	2.6
131.08551	18.2
133.10075	14.8
135.11685	30.2
137.13272	3.8
139.11241	3.4
145.10112	20.5
147.11636	13.7
149.13254	21.2
151.11131	3.9
153.40843	2.7
158.67952	3.1
159.11737	19.7
161.13106	4.7
163.14824	10.5
173.13208	13.8
177.12766	4.2
183.63167	2.8
187.14844	5.8
188.49789	2.6
229.19476	26.5
247.20557	88.2
248.20958	3.7
265.21661	4.2
283.16916	9.7
321.24152	11.0
339.25250	20.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.289
Annotation	Glycidyl oleate
Peak:m/z	Relative Intensity
55.01847	1.8
55.05505	43.1
57.03195	1.7
57.03433	20.2
57.06842	1.4
57.07074	18.7
60.94685	1.5
67.05497	29.9
69.07063	52.1
69.28885	17.8
71.08620	11.0
78.80576	1.6
79.05479	13.7
81.06600	2.5
81.07049	33.9
81.07476	1.4
83.08144	2.9
83.08609	32.8
84.65160	1.5
85.06497	2.2
85.10159	4.7
88.18645	1.6
89.83086	1.6
91.05466	2.8
93.07045	16.0
95.08589	34.8
97.06504	5.7
97.10156	20.1
99.63261	1.4
107.08600	11.0
108.86065	1.6
109.10137	12.6
111.08080	1.9
111.11722	4.6
121.10136	14.7
123.11682	4.0
125.09624	2.3
125.13235	1.7
135.11644	13.9
141.98590	1.6
149.13205	4.8
151.14821	2.2
172.73526	1.6
191.17860	2.0
247.24158	5.0
265.25232	6.4
339.28906	100.0
340.29233	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	339.2526
Annotation	11,12-DHET
Peak:m/z	Relative Intensity
53.26376	3.3
55.05497	18.5
57.03410	7.3
57.07062	8.9
58.66375	3.2
65.03894	5.2
65.89992	2.9
67.05498	100.0
69.07064	16.1
70.94945	10.9
73.53486	2.9
76.97109	3.2
79.05487	43.4
81.06593	5.7
81.07049	96.6
83.08615	11.3
85.06506	3.8
91.05476	27.2
93.07032	58.0
95.08595	94.1
95.31937	3.5
97.06474	4.5
97.10141	6.0
99.08102	4.2
105.07005	24.8
107.08575	48.8
109.10155	40.8
117.07027	8.8
119.08566	19.5
121.10128	44.9
122.17872	3.5
123.11710	18.6
131.08559	23.3
133.10124	15.3
135.11673	37.2
137.13190	3.4
145.10107	21.1
147.11717	19.2
149.13228	17.4
159.11693	16.9
161.13181	5.8
163.14799	5.5
165.71532	3.0
168.97029	3.0
173.13277	9.1
196.98399	3.6
197.06276	5.6
202.75764	3.7
211.00877	4.2
219.21027	5.1
229.19545	25.4
247.20540	95.5
248.20847	5.1
265.21603	6.3
283.16861	13.4
321.15173	3.6
321.24216	14.2
339.25235	28.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.1548
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	1.3
55.01839	1.0
55.05486	1.0
56.05013	0.8
56.96544	2.2
57.03437	0.9
59.21197	0.7
60.04523	1.3
61.02916	1.0
67.05480	1.4
69.03423	6.9
69.07056	1.0
69.92354	1.6
69.92747	2.1
70.06569	2.9
71.04987	0.7
72.08156	4.0
79.05473	2.6
81.03411	11.7
81.07030	5.2
82.17451	0.8
84.04465	1.1
84.08139	4.0
84.22758	0.8
85.02902	5.2
86.09687	1.9
89.03907	7.0
91.05470	3.3
93.07043	1.9
94.06552	3.4
95.04955	1.2
95.08583	0.7
96.08098	1.5
97.02864	2.2
98.21552	0.8
98.97581	1.1
99.04427	1.9
103.05408	0.9
105.07001	0.8
107.04916	0.7
108.08060	1.4
109.02830	3.7
109.05236	1.2
109.06516	0.9
110.06023	13.5
110.07133	1.3
113.80291	0.8
117.02507	1.4
117.03362	24.8
117.99601	0.8
120.08070	1.2
122.05171	1.2
122.06014	19.2
123.06808	0.9
124.07567	11.2
124.55584	0.7
127.03898	2.1
129.10217	2.4
134.03621	1.9
134.05995	7.6
134.99677	0.9
135.04396	2.6
136.07561	53.9
137.06007	1.8
137.07837	1.1
138.05423	1.2
140.07033	7.9
145.02827	56.6
146.03204	1.5
147.04353	2.2
149.05956	9.2
150.05461	9.7
152.07048	60.6
154.08652	1.5
155.07050	0.9
161.05954	1.0
163.03928	1.0
164.07043	60.5
165.07379	1.0
166.08612	1.0
168.06573	2.5
170.08107	9.7
177.05446	100.0
178.05806	3.1
180.06514	0.8
182.08110	17.7
186.05496	0.9
195.06522	2.9
207.06525	1.2
243.11203	1.7
255.01694	0.8
260.12872	1.5
269.49103	0.9
285.12265	1.2
303.13330	24.4
311.40958	0.9
321.09662	9.1
321.14337	7.8
339.10840	5.2
339.15494	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.1071
Annotation	4-Methylumbelliferyl-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
51.15932	0.4
53.03942	2.4
55.01864	0.6
55.05489	1.0
57.03426	0.9
57.07073	0.7
62.18140	0.4
63.02359	0.6
67.05482	1.4
69.03085	0.7
69.03425	8.9
69.07042	1.7
69.60923	3.7
71.01315	0.6
71.04998	0.8
71.08627	0.5
73.02892	0.8
78.74025	0.4
79.05481	1.5
81.03408	14.9
81.07040	3.3
83.04961	0.7
83.08578	1.0
85.02893	5.6
86.09736	0.6
89.03912	8.3
91.05466	1.8
93.07034	1.8
95.04946	1.0
95.08604	2.2
97.02892	2.1
99.04459	2.5
105.07019	1.3
107.08582	2.2
109.02866	4.6
109.06493	0.8
109.10152	2.2
111.08074	0.7
117.03368	24.4
119.04905	0.6
119.08554	1.5
121.10078	1.2
123.11686	1.4
125.05996	0.8
127.03901	2.5
131.08539	0.7
133.10150	0.7
134.03600	2.3
135.04396	1.8
135.08083	0.8
135.11664	1.3
135.89616	0.5
137.09654	0.6
139.11169	1.2
145.02831	55.2
146.03160	0.9
146.29425	0.6
149.05972	9.3
149.13416	0.7
151.07654	0.5
163.03862	1.5
177.05453	100.0
178.05830	1.4
185.06071	0.6
186.05437	1.1
189.06935	0.6
195.06497	2.6
196.62434	0.5
207.08037	0.6
218.07312	0.8
219.07965	1.1
235.07564	1.1
247.07533	1.0
251.10577	0.8
253.08524	0.5
263.06821	0.8
265.08551	0.9
279.10269	0.9
292.07275	0.6
303.23212	0.7
307.09573	1.9
311.12762	2.0
321.09656	16.7
339.12317	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	339.1226
Annotation	CHEBI:67529
Peak:m/z	Relative Intensity
53.03935	2.7
55.01863	3.0
55.05499	4.3
57.03417	2.2
57.07051	1.8
57.33196	1.2
57.43500	1.1
58.16288	1.2
65.03922	2.5
67.05488	8.4
69.03422	11.3
69.07062	11.6
70.06573	3.1
71.04981	3.8
71.52602	1.9
79.05486	4.7
81.03409	16.1
81.07052	23.2
83.04987	2.9
83.08608	2.8
84.08162	2.2
85.02894	6.3
85.06519	2.5
89.03918	7.6
91.05477	7.4
93.07027	9.8
95.04960	4.5
95.08598	13.8
97.02878	1.7
97.06489	2.5
97.75911	1.2
99.04413	2.0
99.08075	2.0
100.11250	2.4
103.05463	2.8
105.07011	7.5
107.04939	5.6
107.08574	12.5
109.02858	6.9
109.06514	4.4
109.10152	10.9
110.03647	3.2
111.04438	4.7
111.08073	5.4
115.05435	3.8
117.03374	24.3
117.06917	1.5
119.08571	5.7
120.08124	2.1
121.06491	2.7
121.10145	7.6
123.08067	1.3
123.11712	8.7
123.33659	1.3
125.05995	6.5
127.03909	3.0
127.07526	1.6
128.06242	1.3
129.06969	1.7
131.04929	2.6
131.08578	3.5
133.10150	3.6
134.03600	2.4
135.04407	3.3
135.08005	1.5
135.11682	4.8
137.05977	5.5
137.09566	3.2
137.13237	2.8
139.11188	5.6
144.05711	1.8
145.02831	56.8
145.06500	3.5
145.10098	3.4
146.03107	1.4
147.11720	2.9
149.05949	11.2
149.13246	1.9
151.07549	2.0
153.05455	4.5
153.09140	1.4
155.10698	1.1
158.07332	1.6
159.08029	9.7
159.11647	1.5
161.06006	1.6
161.13271	1.5
163.03848	1.8
165.06960	3.8
165.09207	1.7
167.07088	2.6
167.10703	1.6
171.04442	2.6
177.05461	100.0
178.05911	2.4
178.07800	5.4
179.08537	4.0
179.10728	1.9
181.06458	2.3
185.05959	4.5
186.06781	6.0
189.06963	5.9
190.07712	8.9
191.08522	11.1
192.09273	1.3
193.06491	5.1
194.07185	1.8
195.06436	2.1
195.08060	2.9
202.07726	3.8
203.08510	3.4
205.06535	5.7
206.07283	5.9
207.08049	11.1
208.08797	7.0
209.09482	1.5
214.06264	4.5
217.06549	2.0
218.07237	12.2
219.08015	27.2
220.05171	1.2
220.08748	9.8
221.05988	13.7
221.09590	4.2
222.06708	3.6
223.07570	2.4
227.17715	1.4
229.08623	9.8
231.08066	1.7
232.05411	1.6
233.05989	4.7
233.09679	3.1
234.06667	6.1
235.07520	21.9
236.08287	17.4
237.09099	4.8
238.06137	2.4
239.07132	1.8
246.06725	6.2
247.07550	21.8
248.08296	6.5
249.05391	7.5
249.09146	7.0
250.06133	6.4
250.09871	2.3
251.06935	3.5
251.10664	25.6
252.11142	2.3
253.08456	6.9
261.09195	3.2
262.06198	1.8
263.06998	11.9
264.07794	33.9
265.08542	14.3
266.05731	2.8
275.06982	7.5
276.07602	1.8
277.05188	1.9
277.08560	5.7
278.06598	1.4
278.09344	8.1
279.10147	24.8
280.10855	3.9
281.08102	13.7
285.22357	1.9
291.06583	3.6
292.07193	7.7
293.08090	8.7
293.17050	1.6
295.09708	3.4
296.10471	3.3
303.23163	4.7
306.08908	2.4
307.09613	52.9
307.13181	2.8
308.10184	12.2
309.07651	2.9
311.12753	40.7
312.13135	2.5
321.09488	12.4
321.24295	5.2
324.09943	6.5
339.12268	92.6
340.12701	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	339.1071
Annotation	alpha-Hydrojuglone-4-glucoside
Peak:m/z	Relative Intensity
53.03944	1.3
55.01866	0.4
57.03449	0.5
61.02923	0.7
63.02375	0.3
68.80046	0.3
69.03423	5.7
69.39703	1.6
69.40110	0.5
70.06590	0.8
71.04988	0.3
72.08147	0.3
73.02921	0.4
81.03410	9.2
81.86771	0.2
84.04494	0.3
84.08143	0.4
85.02895	3.2
86.09689	0.5
89.03355	0.4
89.03906	7.2
91.05459	0.9
95.04931	0.3
97.02875	0.9
99.04440	0.9
105.03362	0.4
106.04184	0.3
109.02859	3.6
110.06016	0.4
115.35851	0.3
117.03368	22.5
118.03671	0.3
122.06030	1.6
127.03913	1.7
129.10262	0.4
134.03664	1.8
135.04430	1.4
136.07588	1.5
137.05960	0.5
140.07060	0.4
145.02831	53.8
146.03189	0.8
147.04413	0.4
149.05960	7.5
150.05478	1.0
152.07014	0.5
154.08620	1.0
163.03909	0.8
164.07037	0.5
166.08624	0.5
172.09630	0.6
177.05450	100.0
178.05862	1.7
186.05476	0.9
195.06482	1.7
255.00194	0.4
321.09634	9.4
339.10742	3.4
339.14972	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.1073
Annotation	4-Methylumbelliferyl-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
53.03930	1.5
53.56543	0.4
55.01863	0.6
65.77335	0.4
69.03417	7.4
69.29952	4.3
70.06599	0.4
71.04948	0.7
71.91122	0.5
78.04679	0.6
81.03412	10.5
81.07078	0.7
85.02883	3.5
86.09686	0.9
89.03910	7.0
91.05458	1.7
93.07028	0.5
95.04969	0.4
97.02887	1.7
99.04408	1.5
103.05459	0.9
104.08437	0.4
106.04197	0.5
109.02877	4.6
109.10191	0.4
117.03370	23.6
119.04870	0.7
122.06008	0.5
124.05141	0.5
124.07547	0.6
127.03877	2.7
134.03622	1.8
135.04395	1.9
137.05975	0.9
138.05479	0.5
145.02829	54.0
146.03156	0.6
149.05952	7.6
151.07516	0.8
152.07137	0.6
162.05627	0.5
163.03859	0.6
168.23625	0.5
177.05450	100.0
178.05803	1.4
179.07014	0.5
180.06549	1.1
186.05573	0.4
195.06488	2.8
198.07605	0.4
201.05525	0.6
321.09628	11.9
321.13449	0.8
339.10843	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	339.1073
Annotation	alpha-Hydrojuglone-4-glucoside
Peak:m/z	Relative Intensity
53.03942	1.8
55.01869	1.9
55.05504	2.0
57.03418	1.6
67.05484	3.0
69.03423	7.7
69.07053	3.4
70.06586	1.1
71.04978	2.3
71.53025	1.4
79.05477	2.0
81.03416	19.5
81.07051	5.0
83.04946	1.0
83.08599	1.4
85.02892	6.7
85.06548	1.3
89.03897	8.4
91.05476	2.7
93.07035	3.3
95.04945	2.7
95.08595	4.8
97.02889	2.2
97.06534	0.8
99.04442	3.3
105.07024	3.2
107.08578	2.7
109.02870	5.4
109.06491	1.5
109.10139	2.3
111.04427	0.9
111.08046	0.9
117.03371	26.0
117.07041	0.9
119.08569	1.7
121.06465	1.1
121.10139	2.6
123.11683	2.0
125.05981	1.6
127.03908	3.2
131.08566	0.7
133.10129	1.1
134.03636	1.7
135.04402	2.7
135.08017	1.2
135.11700	1.1
137.05988	1.7
137.09567	0.8
137.13243	0.8
139.11201	1.8
145.02834	58.9
145.10095	1.0
146.03128	1.3
147.11688	0.9
149.05965	9.5
149.13165	0.9
151.11209	0.9
159.08031	1.2
163.03925	1.8
177.05458	100.0
178.05875	1.9
186.05429	1.6
186.06956	0.9
189.07013	1.2
190.07729	1.1
191.08534	1.3
195.06497	2.4
207.08101	1.3
218.07176	1.7
219.07890	3.8
221.05910	1.3
233.06003	1.1
235.07481	2.4
236.08325	1.3
237.09119	1.1
247.07568	3.7
249.05527	1.2
251.10722	2.1
253.08345	1.1
263.07043	1.2
264.07779	3.3
265.08578	1.9
275.06662	1.0
277.08624	1.4
279.10126	2.5
280.10800	0.8
281.08099	2.1
289.08459	1.4
293.07932	1.1
297.59329	0.8
303.22931	1.2
307.09671	7.5
311.12738	5.5
321.09607	19.9
321.23935	1.7
324.09824	1.3
339.12274	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	337.2732
Annotation	Subamolide C
Peak:m/z	Relative Intensity
52.84666	0.9
53.03939	2.4
55.01849	1.0
55.05507	38.8
57.03152	1.5
57.03431	23.7
57.07069	7.1
65.03923	2.7
67.05498	80.3
68.05828	2.8
69.07062	49.4
70.70971	2.6
71.04980	2.3
71.08633	2.2
79.05064	1.6
79.05484	18.0
81.07047	73.7
82.07383	3.0
83.04975	2.1
83.08614	21.6
85.06525	1.9
85.10190	1.0
91.05476	14.5
93.06490	1.2
93.07039	20.0
94.07330	0.9
95.04932	1.2
95.08595	56.2
96.08910	1.7
97.06532	4.9
97.10159	12.1
99.08072	1.6
105.07029	9.4
105.21716	0.9
107.08569	11.9
109.10140	20.8
109.10842	1.6
111.08049	2.7
111.11701	2.9
119.08568	7.9
121.10135	8.9
123.08064	1.2
123.11684	8.5
125.09595	2.1
133.10114	8.2
135.11714	5.6
137.13237	4.8
139.11261	1.2
147.11707	4.5
149.13237	2.7
151.11153	1.0
153.12737	1.8
161.13261	3.9
163.14815	3.1
175.14819	2.6
209.90395	1.0
245.22623	1.7
246.67058	1.1
263.23676	3.4
337.27328	100.0
338.27725	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	338.1963
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	5.4
55.05492	5.2
59.10046	2.5
59.16299	2.4
67.05486	12.3
69.07063	15.1
69.59180	22.2
79.05466	9.5
80.05006	6.3
81.03397	7.0
81.07041	8.5
83.04970	2.8
83.08609	4.6
93.07036	19.9
94.04211	7.1
95.04947	3.2
95.08579	4.8
95.61619	2.7
97.06505	10.1
100.77682	2.4
107.08594	14.6
108.04471	39.4
109.02863	21.3
109.10135	4.3
122.03625	8.9
122.06033	4.1
125.68123	2.8
126.05502	5.1
133.16786	3.6
135.11662	20.9
136.03931	86.8
136.04956	5.8
137.05968	95.4
138.06317	7.9
140.06993	3.4
140.51489	2.7
148.27234	2.6
150.05540	7.2
153.05428	3.1
153.12679	6.5
154.04976	96.3
166.21423	3.0
168.06554	100.0
169.04965	38.3
169.06502	3.6
169.06808	2.9
181.03438	6.9
186.07610	42.2
286.99939	2.8
313.15222	7.4
313.23892	2.9
314.15530	3.4
320.18332	3.9
328.17688	4.5
338.19547	8.3
338.26645	26.5
346.18518	18.9
347.18771	6.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.0558
Annotation	Unknow
Peak:m/z	Relative Intensity
52.53874	1.3
56.05015	1.1
56.96574	6.2
56.96823	1.2
60.04536	1.3
69.03415	4.4
70.06577	1.7
71.20616	1.8
71.20953	1.9
77.00878	3.5
79.05498	1.5
81.03426	1.8
84.08127	4.1
85.02902	3.3
86.09731	1.3
89.03906	2.9
91.05474	9.5
95.01903	1.9
95.04926	1.8
97.02892	3.9
98.97574	3.8
101.00855	9.6
102.00934	1.2
107.04951	10.1
115.41863	1.1
116.98598	2.9
117.03412	6.2
119.01910	100.0
119.04878	6.2
120.02023	2.6
120.27212	1.3
122.06019	2.1
127.03889	2.0
131.01917	6.3
135.01372	1.9
135.04398	3.1
137.02956	48.4
137.04010	3.5
137.05945	1.4
142.03467	3.7
145.02827	14.3
147.04402	4.9
149.02927	2.2
149.05956	3.7
153.02394	2.4
159.01382	15.2
159.02689	2.1
161.02917	2.5
164.07024	1.5
165.03975	2.3
167.05534	4.7
170.08171	1.2
171.04977	1.6
173.02956	2.3
177.00761	3.1
177.02437	47.9
177.03900	4.3
177.05380	31.4
177.06638	3.6
178.02594	2.2
181.03467	3.5
183.05016	3.6
185.06564	11.0
193.01660	1.8
195.03232	3.2
195.05019	63.2
196.05212	6.6
197.01025	1.4
197.02873	2.6
197.06726	2.2
199.04445	5.2
200.04073	4.6
207.01508	2.7
207.03345	1.7
207.05029	2.9
209.02975	1.8
211.04575	2.8
213.06075	14.1
218.06712	2.4
219.01619	1.9
219.05022	4.1
225.06197	1.9
229.05583	3.9
235.04623	1.7
237.05971	12.6
239.03983	3.2
253.05780	2.4
255.01831	1.7
255.07137	2.2
257.05069	8.2
267.07095	4.2
269.05008	3.0
275.13861	1.4
279.03867	1.4
281.04962	2.3
283.06653	2.6
295.06747	2.1
297.04617	15.9
298.04752	2.5
299.06256	2.0
303.13507	2.9
315.05475	1.7
321.14307	4.1
339.06339	1.6
339.11819	2.9
339.15479	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	337.2733
Annotation	Methyl 15-hydroxy-7-labden-17-oate
Peak:m/z	Relative Intensity
53.03931	2.9
53.48600	0.8
55.01861	2.0
55.05506	34.9
57.03157	1.5
57.03431	25.0
57.07080	6.5
59.83586	0.9
65.03918	2.9
67.05497	69.6
69.07062	37.9
69.60240	6.4
71.04981	2.0
71.08617	2.0
79.05482	20.0
81.07047	77.3
82.07362	1.2
83.04954	1.8
83.08150	1.5
83.08611	20.8
85.06500	2.4
91.05470	9.8
93.06480	1.6
93.07036	20.2
95.04955	2.1
95.08598	63.5
96.08943	1.5
97.06519	4.6
97.10159	10.3
99.08069	2.5
102.76389	0.9
105.07025	9.7
107.08582	11.1
109.06507	1.7
109.10141	23.9
111.08054	2.2
111.11700	3.3
119.08556	7.1
121.10138	8.8
123.08053	0.9
123.11672	12.1
125.09618	1.4
133.10120	8.6
135.11696	4.5
137.09622	1.7
137.13240	3.8
147.11638	4.6
149.13242	3.7
151.11195	1.3
151.14734	1.8
152.03151	0.8
161.13243	4.6
163.14835	3.1
165.12766	1.2
175.14787	3.2
189.16255	1.9
245.22655	4.6
263.23526	6.7
337.27322	100.0
338.27689	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	337.2732
Annotation	Unknow
Peak:m/z	Relative Intensity
50.80512	2.4
53.03936	3.1
55.01853	4.0
55.05508	21.9
57.03434	2.9
57.07071	14.1
67.05500	29.5
69.03427	5.9
69.07057	59.3
70.06602	3.5
71.04997	9.8
71.08616	5.4
71.53194	4.2
79.05482	18.7
81.07051	100.0
81.07539	5.7
83.04993	7.0
83.08615	26.4
85.06525	9.0
91.05466	10.4
93.07042	45.1
95.04958	5.9
95.08604	75.7
96.08997	3.1
96.69219	2.5
97.06519	11.5
97.10159	10.6
99.04445	10.5
99.08085	3.9
105.07034	28.4
107.08579	44.1
108.08934	2.7
109.06503	17.4
109.10139	47.9
111.08064	8.8
111.11720	2.8
111.49309	2.7
119.08575	17.0
121.06477	6.0
121.10136	23.0
123.08078	9.5
123.11703	25.7
125.05987	4.2
125.09599	4.0
127.07568	10.6
131.08571	5.9
133.10114	35.6
135.11713	23.9
137.13246	13.7
139.11176	6.2
143.08661	3.6
145.10143	6.9
147.11667	22.4
149.09592	5.5
149.13235	20.5
151.07509	4.5
151.11174	51.0
153.09119	4.7
153.12778	4.8
157.10158	3.1
159.11647	8.4
161.09625	4.6
161.13235	7.3
163.11250	3.1
163.14822	6.4
165.09081	3.0
165.12750	8.6
167.10712	4.4
167.14368	5.3
171.11627	4.6
175.11201	4.9
175.14716	3.3
177.12785	5.2
177.16341	4.3
179.10690	12.4
185.13348	4.4
189.12738	5.6
189.16382	3.2
191.17960	3.4
193.12248	11.4
195.13771	4.7
203.17915	4.8
205.19553	3.4
207.13799	11.4
227.17847	3.7
245.19067	4.0
263.20172	3.4
267.34326	2.8
269.93762	2.4
283.24200	6.7
301.21820	3.6
301.25211	6.6
319.22598	6.0
319.26239	39.4
337.10828	5.9
337.23761	5.6
337.27368	32.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.2368
Annotation	15H-11,12-EETA
Peak:m/z	Relative Intensity
50.21616	5.3
53.03935	6.5
55.01866	11.2
55.05495	22.2
55.77610	5.5
59.04993	7.4
67.05484	25.4
69.03426	43.2
69.07060	86.2
69.18459	71.5
70.06581	5.7
70.33012	5.2
79.05492	30.6
81.07049	100.0
83.04967	11.8
83.08615	11.2
89.83532	5.2
91.05479	30.1
93.07028	48.5
95.04995	10.0
95.08604	51.2
97.06534	46.3
97.10154	13.0
99.04498	5.4
99.08117	7.7
102.24126	5.4
105.07020	56.2
107.08576	69.6
109.06500	19.8
109.10136	47.7
111.04404	19.8
119.08549	43.2
121.06479	9.9
121.10125	41.0
123.04362	6.3
123.08052	14.0
123.11689	58.3
125.05975	46.2
125.09570	17.1
127.80985	5.5
131.08551	13.7
132.73918	6.3
133.10123	66.7
135.08014	25.8
135.11664	20.6
137.09610	15.4
139.11189	52.5
143.08456	6.3
145.10127	16.6
147.08044	8.5
147.11647	32.7
149.13220	12.1
150.20724	6.2
151.11157	18.6
153.09094	11.6
157.10115	13.6
159.11684	10.8
161.13187	9.9
163.07471	8.5
163.11247	5.9
163.14700	7.6
167.10751	6.4
173.13245	10.2
175.11142	9.3
175.14819	9.9
177.08896	6.1
185.13168	8.9
187.14760	8.5
189.16322	16.4
191.10579	8.9
193.12209	15.9
193.15877	6.9
199.14836	11.0
205.15866	9.3
207.17442	6.6
233.15398	9.9
245.15302	8.3
249.14879	7.0
273.22070	6.7
283.20682	13.1
301.21555	31.2
312.32129	5.9
319.22525	57.4
337.23798	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	337.237
Annotation	HXB3
Peak:m/z	Relative Intensity
55.01870	12.1
55.05499	22.2
65.03928	20.8
67.05490	19.2
69.03414	15.6
69.07056	48.2
70.83991	7.6
70.84319	9.1
75.52155	5.2
79.05488	16.4
81.07050	49.6
83.04973	100.0
85.62302	6.9
91.05467	14.5
93.07037	29.0
95.08603	29.5
97.06523	21.3
98.98452	16.9
105.07009	34.0
107.04965	8.3
107.08609	38.1
109.06493	7.2
109.10156	27.3
111.04423	11.4
119.08573	20.9
121.10105	19.9
123.08095	7.8
123.11690	36.9
125.05967	15.8
125.09648	10.6
131.08539	6.0
131.72530	6.0
133.10123	42.5
135.08054	13.9
135.11671	10.4
137.09576	5.8
139.11154	22.2
141.07019	6.7
147.11687	18.9
149.13193	7.7
151.01559	10.6
153.09109	8.8
157.10051	7.3
159.11667	9.5
161.13264	9.2
173.13245	6.4
175.01598	13.4
175.11168	14.2
224.75018	5.8
291.23129	6.8
294.96585	5.8
301.21530	15.6
313.24966	6.8
319.22668	26.9
337.02341	59.5
337.23547	13.5
337.30563	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	337.1392
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	3.0
55.01862	1.1
55.05491	1.4
57.03191	0.9
57.03439	9.0
60.79252	0.6
63.59777	0.7
65.03944	1.8
67.05502	2.0
69.03426	1.8
69.07062	1.3
70.06573	2.1
71.01356	5.7
71.52084	1.0
71.52484	0.6
72.08157	1.4
73.02913	16.4
75.04482	0.8
75.81579	0.6
79.05486	5.1
81.03413	1.1
81.07049	1.5
84.08152	1.2
85.02902	28.5
86.09719	1.6
91.05473	1.2
92.04971	0.8
93.07026	0.8
95.01310	2.3
95.04968	6.0
96.08123	1.0
97.06567	0.8
98.06069	0.8
99.00806	1.8
101.02374	6.9
103.03940	9.1
105.03386	100.0
105.07009	1.1
106.03716	3.5
107.08575	1.2
108.04434	0.8
109.10117	0.9
110.07184	1.3
111.04453	0.9
113.02363	3.2
117.06931	1.0
118.51950	0.7
120.08096	2.1
122.05996	1.4
123.04428	17.0
124.07616	0.9
126.09137	1.6
129.10178	0.7
130.06494	2.0
131.03410	3.7
134.05991	0.7
136.07512	1.6
138.05522	0.9
139.03862	0.9
141.01813	2.0
150.05515	1.9
152.07069	6.8
159.02884	2.7
162.05540	1.4
164.07083	1.4
166.04993	10.8
167.07213	0.8
174.09140	1.5
176.03423	1.4
176.06998	1.3
177.04007	1.3
179.07019	6.2
182.04491	1.8
184.07564	1.6
186.09131	0.7
188.07069	0.9
194.04535	0.8
198.09225	1.1
200.10719	0.9
201.10207	1.0
202.10426	0.7
212.09283	1.4
215.11684	1.3
216.10204	2.1
227.11705	1.9
228.10252	1.4
229.09738	5.4
241.09618	1.5
243.11238	3.6
244.09654	2.6
255.11336	4.3
256.09622	1.4
259.10782	1.8
261.12228	0.8
271.10730	6.1
272.09106	1.1
273.12317	10.5
274.10641	5.1
275.13885	1.0
283.10745	8.8
289.11829	1.5
290.10159	2.2
301.11804	15.1
302.10052	1.4
305.86115	0.7
319.12863	25.9
320.11115	9.7
321.11420	0.8
337.09180	28.5
337.13815	4.1
337.17447	1.0
338.09473	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.2369
Annotation	Hepoxilin B3
Peak:m/z	Relative Intensity
53.03903	7.5
55.01862	11.0
55.05500	15.3
59.64797	6.1
67.05491	28.2
69.03403	30.4
69.07063	95.7
69.30251	14.9
69.30656	48.4
71.04958	8.0
79.05481	24.0
81.07053	85.0
83.04958	12.9
83.08617	12.9
90.67417	5.7
91.05448	27.9
93.07030	38.9
93.24626	5.6
95.04967	16.2
95.08582	51.2
97.06525	40.0
99.04420	10.2
105.07015	56.1
107.08597	61.2
109.06529	21.0
109.10126	51.1
111.04413	14.4
111.08080	9.6
119.08553	39.9
121.06473	11.8
121.10114	45.5
123.08052	8.8
123.11715	56.1
125.05962	38.7
125.09619	15.7
131.08566	10.3
133.10123	92.2
135.08058	18.6
135.11685	18.1
137.09578	12.6
139.07518	12.0
139.11137	68.6
141.09030	9.6
143.08563	9.9
145.10097	19.1
147.11668	38.3
149.13251	12.1
151.11195	14.6
153.09073	9.0
157.10110	20.1
159.11638	13.5
161.09566	8.5
161.13281	8.4
169.08485	9.1
173.13245	10.0
175.11159	20.9
185.26099	7.4
189.16324	21.6
193.12193	23.7
205.15909	9.5
221.15202	8.2
236.74033	6.8
245.15245	8.3
255.20958	6.9
291.23132	7.4
301.21484	35.4
319.22607	100.0
337.10574	7.6
337.20218	9.1
337.23856	15.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.0914
Annotation	Flustraminol A
Peak:m/z	Relative Intensity
50.44370	0.3
51.02378	0.3
53.03948	2.4
55.05507	0.5
56.05054	0.3
57.03433	7.0
66.20807	0.3
67.05519	0.6
69.03409	0.7
69.07059	0.7
70.06585	1.0
70.48929	0.8
70.49322	0.6
71.01347	5.7
72.08149	1.1
73.02913	16.4
75.04467	0.8
77.03907	0.4
79.05490	3.7
81.03398	0.4
81.07052	0.4
82.32824	0.3
83.01354	0.4
84.04491	0.6
84.08141	1.0
85.02899	29.9
86.09682	1.5
87.00831	0.6
89.02375	0.7
91.05486	0.4
93.07020	0.5
95.01320	2.5
95.04962	4.6
95.08606	0.5
97.02863	0.4
99.00822	1.5
99.97292	0.3
101.02376	7.5
103.03935	8.4
105.03384	100.0
105.82864	0.3
106.03727	1.0
110.07121	0.5
113.02341	3.1
119.08622	0.4
120.08105	1.2
121.08411	0.8
123.04420	17.8
129.10245	0.5
131.03392	4.7
136.66432	0.3
141.01811	2.5
159.02866	4.5
162.05528	0.8
164.07072	0.5
166.05019	0.5
167.09010	0.4
177.03896	0.9
177.05338	0.5
179.07011	6.0
229.09689	0.9
234.16978	0.4
240.71356	0.4
259.10770	0.6
271.10861	0.7
274.10651	1.8
301.11829	1.7
302.09973	0.6
319.12787	1.8
320.11295	1.0
327.64423	0.4
337.09146	28.6
337.13452	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.0891
Annotation	Unknow
Peak:m/z	Relative Intensity
58.99851	3.5
70.31174	9.4
70.31566	5.8
93.40006	3.3
94.99850	3.7
101.00870	27.3
103.02422	20.2
113.00860	15.6
119.01917	44.0
121.03477	7.1
127.02393	23.0
131.01895	79.4
133.03400	4.2
139.02362	7.4
145.03453	86.2
147.01358	5.3
149.02927	6.8
155.01865	32.5
157.03467	42.6
158.03705	4.2
163.04510	9.7
167.01909	5.3
171.01395	12.3
173.02954	73.6
175.04480	8.8
183.01427	7.2
185.02971	8.3
189.02432	16.6
193.02014	3.5
199.00848	8.7
201.02470	10.6
203.04039	5.0
217.01932	100.0
221.05055	4.2
229.01920	52.9
235.02950	45.8
247.02968	21.3
253.03851	5.8
265.03970	8.1
303.59225	3.3
337.08694	99.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.0915
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02365	0.7
53.03944	3.1
55.01866	0.8
55.05496	0.4
57.03432	7.6
62.39581	0.3
67.05495	0.5
69.03415	1.0
69.07078	0.5
69.52341	0.8
69.52757	1.5
70.06577	1.8
71.01349	4.8
71.04995	0.3
72.08150	1.5
73.02912	17.0
75.04469	1.0
77.03928	0.7
79.05492	4.3
81.03421	0.9
81.07066	0.3
83.01337	0.6
84.04469	0.3
84.08129	1.5
85.02901	29.0
86.09689	1.3
87.00823	0.6
87.52541	0.3
89.02401	0.4
91.05452	0.6
93.07083	0.5
94.06542	0.4
95.01347	2.1
95.04961	5.1
97.02898	0.4
97.06528	0.3
99.00802	1.4
99.04451	0.4
101.02367	7.2
103.03236	0.3
103.03935	9.6
105.03384	100.0
106.03728	1.3
107.08573	0.3
110.06046	0.7
110.07148	0.5
113.02356	2.8
118.06557	0.5
120.08122	0.9
122.06000	1.1
123.04420	17.2
124.04744	0.4
129.10219	0.7
131.03383	3.5
134.05995	0.3
136.07561	1.1
137.02321	0.4
140.07071	0.8
141.01816	2.3
148.07567	0.4
152.07089	0.3
152.99651	0.3
159.02876	4.0
164.07039	1.4
174.09117	0.4
177.03905	1.1
177.05347	0.4
179.07011	6.7
191.06950	0.3
192.10184	0.5
200.10724	0.4
208.09760	0.3
217.09708	0.5
226.66141	0.3
227.11652	0.4
228.10222	0.4
234.12434	0.7
243.11398	0.5
245.09245	0.3
246.11388	0.5
259.10767	0.6
263.10266	0.5
271.10739	0.4
273.12219	0.5
274.10709	0.7
283.10855	0.4
291.13351	0.6
292.11917	0.4
301.11835	1.2
311.11874	0.4
319.12970	2.7
320.11304	0.8
337.09210	26.8
337.13876	7.6
338.09509	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.0808
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
56.96561	44.4
69.03401	1.4
70.97784	0.7
70.98118	7.5
71.52149	1.0
71.95242	2.6
72.08136	0.8
72.96033	0.7
74.38033	0.6
74.97599	2.0
84.08107	0.9
84.96031	8.4
85.02927	1.4
86.97569	0.8
88.99151	4.4
97.02870	1.2
98.97578	79.6
100.99117	2.1
101.00878	0.9
102.97025	1.2
107.00202	1.5
109.02740	0.7
110.96836	1.4
110.97562	18.7
112.98403	1.2
112.99126	15.4
115.00688	2.2
116.98615	38.2
119.01904	1.7
121.01591	0.6
124.95484	2.5
124.99092	1.5
125.56348	0.6
126.97062	1.1
127.00748	0.6
127.03923	1.3
128.98601	26.2
131.00163	24.7
131.01866	2.1
133.01721	6.9
133.03488	1.0
134.99646	10.6
140.00175	1.8
140.98595	2.9
142.96487	2.7
143.00140	4.0
143.01926	0.8
144.98067	2.6
145.01671	1.5
145.03479	2.6
146.99646	17.2
149.01219	25.8
151.02771	4.4
152.98576	4.1
153.00613	0.9
155.01874	1.2
156.98131	0.7
157.03471	1.5
158.99648	15.1
160.97639	1.7
161.01216	5.7
161.02533	0.9
162.99121	3.7
163.02786	1.3
165.00697	8.3
167.02267	5.9
170.96017	2.1
170.99658	8.2
173.01205	5.4
173.02940	2.6
174.99167	3.2
175.02786	5.9
177.00710	18.3
177.04196	0.8
178.04814	1.2
179.02257	1.9
184.97612	1.5
187.02701	1.1
188.97070	8.8
189.00734	9.7
189.02386	1.2
190.98573	0.9
191.02258	10.1
191.03827	1.2
193.00171	2.5
193.03848	4.1
195.01753	1.8
199.02722	0.8
201.00775	1.9
202.98685	4.2
203.02263	8.7
203.04073	0.9
205.00175	2.7
205.03781	1.9
206.98134	4.6
207.01729	6.1
209.03287	1.6
211.02901	0.8
212.97081	1.3
217.00154	1.4
217.01930	1.8
217.03844	3.9
218.41498	0.7
219.01770	28.5
220.99654	2.3
221.03255	2.0
221.05179	0.8
223.01262	1.9
224.99295	1.3
229.01924	1.0
229.03929	1.4
230.03363	0.8
230.98152	8.9
233.03300	2.0
235.01181	1.6
235.04811	3.3
237.02806	52.7
242.03249	0.9
244.99664	4.5
248.99210	3.8
249.02887	0.8
251.04288	0.8
255.03928	3.8
260.04407	1.7
263.00739	15.4
267.04248	0.9
275.04156	0.9
277.02396	3.2
277.05908	28.0
278.05963	0.9
281.01770	2.1
281.05380	2.7
283.02805	0.7
293.05560	1.5
295.06982	100.0
296.07336	2.6
305.01764	0.9
318.08606	3.2
324.06943	0.7
332.10364	1.5
337.08069	37.2
338.08264	1.4
355.09143	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	337.0615
Annotation	Unknow
Peak:m/z	Relative Intensity
58.99860	0.8
65.53671	0.5
69.77308	3.3
77.00881	0.7
82.99856	1.7
83.42706	0.5
85.01398	2.4
86.99313	0.7
94.99844	1.4
98.20789	0.7
101.00868	12.9
103.02431	9.2
113.00851	6.5
119.01907	22.4
121.03464	3.1
127.02393	11.9
129.03946	1.2
131.01900	25.6
133.03476	1.3
136.93559	0.6
137.02951	2.0
139.02400	2.3
142.03473	0.9
143.01913	2.8
145.03453	58.5
146.03603	1.5
147.01390	2.2
147.04962	0.9
149.02957	4.2
155.01877	19.2
157.03462	21.5
161.02953	4.0
163.04520	7.4
167.01869	2.0
168.05023	1.8
171.01378	10.2
173.02954	44.8
174.03165	1.2
175.00871	0.8
175.04504	6.3
183.01405	3.6
185.02943	7.4
189.02432	17.5
191.03990	1.0
193.01952	1.5
196.04495	1.0
199.00883	6.1
201.02420	5.6
203.03973	1.8
211.00873	1.6
215.04152	0.5
217.01923	100.0
218.02065	2.4
221.05057	2.5
225.72194	0.5
229.01923	30.9
229.40311	0.6
235.02962	45.9
236.03166	1.2
239.06139	2.1
247.02989	17.3
247.06662	0.9
253.04002	4.6
258.04526	3.0
259.02893	0.6
265.04037	2.9
275.06110	1.4
277.04016	5.3
319.05057	1.7
337.06143	5.0
337.10959	10.2
337.17209	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	336.1916
Annotation	Gly Leu Phe
Peak:m/z	Relative Intensity
50.30107	0.6
55.05507	0.9
59.79533	0.6
60.04512	0.7
60.85806	0.7
67.05499	0.8
69.07063	1.6
70.06592	1.7
70.45769	1.3
75.98132	0.7
79.05491	1.0
81.07043	1.1
83.04966	1.1
84.08154	0.8
85.02909	1.0
86.09696	100.0
87.10009	1.2
91.05481	3.0
92.05791	1.0
93.07035	1.3
93.94114	0.7
95.08591	1.0
103.05444	2.3
107.04971	1.0
107.08567	0.7
109.10190	0.7
111.04417	1.0
119.04934	1.4
120.05270	1.3
120.08092	59.7
120.54732	0.8
129.10283	0.7
131.04915	1.1
143.11780	83.2
144.12122	0.7
146.06004	2.2
147.04440	1.6
148.04718	1.4
165.84628	0.7
166.08620	35.8
167.07077	0.9
171.11278	17.7
174.05519	0.9
175.03960	2.5
176.04266	2.9
177.10233	3.3
205.09709	1.0
207.06570	2.8
208.06825	5.6
240.79124	0.9
277.08557	0.9
279.06641	1.0
279.17142	0.8
319.12900	1.4
337.10690	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	337.0443
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96559	100.0
57.03429	3.3
58.99837	3.4
61.01130	3.4
69.03416	3.8
70.06575	12.1
70.08767	6.7
70.09151	6.3
70.98120	16.7
71.95240	4.3
72.08138	5.9
74.97587	5.3
81.03421	4.2
83.06123	3.2
84.04505	3.9
84.08126	10.9
84.96004	8.1
85.02890	13.1
86.09706	6.1
88.99154	8.9
91.96929	2.7
97.02879	9.0
98.97572	76.6
101.00877	18.6
103.02425	14.5
105.00373	2.8
105.03342	3.3
107.00226	4.7
107.04919	3.4
110.07166	3.5
110.97571	22.3
112.99129	4.1
113.00854	8.7
115.82420	2.9
116.98620	47.4
119.01903	48.0
121.03452	4.6
124.95468	3.6
127.02425	14.3
127.03941	4.8
128.98592	45.3
129.10182	3.2
131.00264	6.1
131.01906	49.5
133.01674	4.4
133.03452	4.3
134.99631	27.7
137.02934	6.4
139.02374	5.5
140.98639	4.2
142.96509	7.1
143.00218	3.4
143.01860	7.0
145.01706	5.1
145.03455	80.8
146.99651	47.9
149.01180	7.7
149.02983	14.4
153.00716	6.0
155.01863	27.9
156.98099	11.3
157.03474	45.2
158.99643	10.3
161.01140	5.2
161.02959	9.2
163.02702	4.6
163.04480	9.6
165.00687	21.3
170.99680	5.8
171.01387	14.0
172.97687	3.1
173.02953	61.0
174.99133	76.5
175.00659	4.5
175.04506	13.9
177.00873	28.1
177.05539	3.1
183.01501	6.6
184.97572	4.9
185.02950	15.4
187.04405	3.3
188.97020	21.5
189.00684	16.6
189.02428	14.2
190.95351	4.0
191.02307	5.9
191.03944	5.6
192.98494	5.6
193.00206	84.6
193.01799	5.4
195.04915	3.8
196.04492	3.4
199.00897	5.0
201.02420	6.4
202.98608	8.5
203.02501	8.9
203.04146	7.0
205.00252	6.8
206.98134	13.1
207.01750	13.4
208.99525	4.0
211.01122	9.2
212.03210	4.5
217.00130	42.7
217.01944	83.4
219.01955	59.5
220.99744	7.2
221.05086	7.8
223.01271	5.7
224.99170	6.2
229.01956	42.3
229.05573	4.4
230.98146	20.4
235.00877	23.8
235.03131	44.5
237.02730	19.5
239.06117	4.2
242.03680	3.1
244.99739	12.3
247.00896	6.5
247.03271	18.4
247.06721	3.3
248.99222	9.6
249.02756	3.9
263.00705	54.1
277.02371	15.3
277.05942	5.0
281.01828	9.6
284.08322	4.2
286.02164	3.9
295.03671	6.3
295.06934	23.9
305.01733	4.4
314.09171	10.7
332.10471	29.5
333.98267	3.0
337.04199	6.1
337.08151	5.9
355.08588	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	336.0389
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01843	1.2
56.96561	69.9
66.80656	0.9
69.03443	1.0
69.77338	5.0
70.06590	4.6
70.37035	1.0
71.95245	1.2
72.08146	1.2
74.97601	15.1
77.59732	0.8
78.85432	0.8
81.03384	0.9
84.08129	1.0
84.96018	2.4
85.02893	3.1
86.09685	1.7
86.80704	0.9
86.97581	2.8
91.05475	1.3
92.98621	1.7
97.02851	1.1
97.99171	1.6
98.97541	1.3
105.26023	0.9
107.04932	2.4
109.02882	1.1
110.07134	1.9
114.97056	2.1
132.98074	5.2
150.99135	32.1
165.02287	1.6
166.05241	1.2
169.00214	21.5
169.01653	1.1
170.99751	1.3
174.00743	3.7
175.00694	1.3
181.01726	2.8
183.03261	5.1
185.01295	2.4
187.02815	1.5
192.01811	5.2
192.03363	1.1
193.01714	46.5
197.01202	1.5
199.02618	1.6
201.04385	5.5
203.02229	2.0
211.02768	100.0
212.03246	1.0
213.00597	1.2
215.02403	1.3
216.03699	1.1
222.99078	2.3
227.02208	3.8
229.03780	7.1
234.04419	6.5
237.00623	3.0
237.02802	1.2
241.00127	1.0
245.03345	3.5
251.02240	5.7
255.01741	23.5
267.01675	2.4
269.03314	13.1
273.02887	5.7
285.02933	1.4
292.05081	1.6
295.01163	6.9
300.34192	1.0
313.02286	14.8
326.01385	1.0
331.03464	5.2
336.03824	2.3
336.12967	1.1
337.09219	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.2577
Annotation	6E-Geranylgeraniol-19-oic acid-1-O-methyl ether
Peak:m/z	Relative Intensity
52.52216	2.0
53.03931	2.1
55.05502	14.2
57.03202	2.1
57.03435	22.6
65.03921	3.0
67.05499	71.7
69.07064	14.0
69.33977	19.0
70.07357	1.7
71.08599	1.9
75.61557	2.1
79.05487	36.1
81.07050	75.8
83.04992	2.4
83.08614	5.5
91.05474	17.7
93.07040	32.1
95.04948	4.8
95.08598	56.8
97.06525	2.7
97.10178	2.8
105.07018	13.8
107.08588	24.6
109.10148	29.5
117.07002	6.3
119.08593	11.9
121.10134	16.0
123.11692	6.8
131.08534	8.0
133.10088	10.6
135.11700	13.9
137.13170	2.8
145.10094	6.9
147.11682	7.8
149.12230	2.2
149.13217	11.1
159.11644	4.1
160.50635	1.9
161.13216	6.9
163.14842	2.9
173.13234	4.7
175.14777	2.7
187.14842	3.3
193.11330	1.9
194.68295	1.8
199.37190	1.7
243.21049	4.2
261.21991	10.3
335.25772	100.0
336.26019	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	335.2576
Annotation	6E-Geranylgeraniol-19-oic acid-1-O-methyl ether
Peak:m/z	Relative Intensity
51.02370	1.0
53.03930	4.3
55.01848	1.1
55.05274	1.3
55.05507	17.8
56.25484	1.0
57.03161	1.9
57.03432	25.4
57.07053	2.7
57.89276	0.9
65.03922	3.3
67.05498	93.8
69.07065	20.0
70.24203	4.5
71.04997	1.5
71.11166	0.9
79.05485	47.5
80.05826	1.3
81.07047	84.0
83.08602	9.4
85.06517	2.5
91.05472	20.0
93.07037	50.3
95.04952	4.4
95.08598	73.9
97.06510	4.4
97.10155	4.4
99.08075	1.2
102.54697	1.3
105.07020	14.7
107.08578	33.9
107.09303	1.6
109.06506	1.5
109.10147	28.6
111.08060	1.8
111.11652	1.1
117.07008	6.3
119.08579	14.8
121.10126	21.8
123.08138	1.2
123.11700	11.4
125.09609	1.2
129.05479	1.9
131.08549	10.1
133.10120	10.0
135.11682	15.4
137.13225	2.7
145.10109	7.1
147.11662	7.6
149.13226	11.2
151.14780	1.7
159.11641	7.7
161.13206	5.6
163.14796	5.0
173.13222	5.5
175.14777	2.7
179.14313	1.1
187.14783	4.6
201.16411	1.4
232.67218	1.1
243.21057	10.0
244.86815	0.9
261.22101	14.5
282.33176	1.2
317.24704	6.5
335.25757	100.0
336.26147	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	335.2576
Annotation	6E-Geranylgeraniol-19-oic acid-1-O-methyl ether
Peak:m/z	Relative Intensity
53.03944	2.5
55.05504	16.2
57.03431	23.5
57.07079	2.3
58.64845	1.2
61.01653	1.2
65.03930	3.3
67.05500	70.3
69.07062	16.2
70.58570	2.1
70.58951	1.8
71.04974	1.8
79.05488	36.6
81.07047	70.5
83.08604	8.6
85.06526	2.2
91.05468	18.2
91.92681	1.2
93.07039	45.2
95.04950	4.4
95.08596	61.1
97.06549	3.3
97.10178	3.3
99.08107	1.9
100.09345	1.2
105.07025	14.8
107.08578	26.9
109.06493	1.7
109.10152	24.9
117.06997	5.5
119.08562	11.6
121.10135	20.8
123.11736	9.9
129.05473	2.2
131.08575	9.2
133.10132	11.4
135.04024	1.3
135.11685	15.3
137.09550	1.3
137.13293	2.3
139.11127	1.4
145.10114	5.2
147.11658	7.5
149.13275	10.5
151.11165	1.4
159.11682	5.1
161.13260	6.3
163.14799	4.6
173.13275	4.3
175.14813	1.8
177.16388	3.0
181.30899	1.6
187.14743	2.2
243.21124	9.4
261.22095	11.3
317.24649	2.4
335.22229	4.1
335.25742	100.0
336.26080	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	335.2576
Annotation	6E-Geranylgeraniol-19-oic acid-1-O-methyl ether
Peak:m/z	Relative Intensity
51.02360	1.9
53.03938	3.4
55.01854	3.1
55.05510	24.9
57.03436	20.9
57.07065	2.4
65.03931	4.4
67.05500	97.8
69.07063	27.7
71.03175	5.9
75.48075	2.3
79.05488	53.3
81.07049	100.0
83.08593	10.3
91.05475	25.8
93.07035	55.1
95.04947	5.8
95.08597	73.5
97.06517	2.8
97.10126	3.6
101.38004	2.0
105.07007	14.4
107.08581	26.9
109.06506	3.3
109.10148	30.1
117.06986	7.9
119.08568	11.9
121.10122	20.1
123.11649	9.6
131.08560	8.4
133.10078	5.2
135.11673	11.3
137.13309	2.6
145.10078	6.0
147.11656	6.1
149.13249	8.7
159.11713	3.7
161.13278	6.0
163.14838	2.8
173.13272	7.3
195.84842	2.3
243.21074	4.7
261.22137	10.5
306.29724	2.0
335.25760	84.4
336.25934	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	335.2576
Annotation	6E-Geranylgeraniol-19-oic acid-1-O-methyl ether
Peak:m/z	Relative Intensity
53.03931	3.1
55.05509	24.7
57.03431	22.9
62.90878	1.9
65.03948	2.4
67.05503	100.0
69.07062	20.0
69.21868	25.4
79.05484	47.4
81.06595	4.8
81.07053	82.5
81.07526	4.4
83.04987	3.6
83.08613	6.8
91.05473	20.1
93.07035	52.8
95.04959	4.7
95.08604	64.2
97.06529	3.8
97.10136	2.8
100.52773	2.1
102.98565	2.3
105.07037	15.8
107.08587	25.0
109.10153	24.9
117.07012	4.2
119.08576	11.2
121.10141	20.8
123.11703	7.9
131.08594	6.0
133.10123	9.0
135.11691	8.1
137.13242	2.0
145.10129	6.6
147.11639	5.1
149.13248	6.8
151.11197	2.7
159.11691	4.8
161.13268	6.6
163.57968	2.2
173.13254	5.3
175.14815	2.4
243.21121	2.8
261.22119	7.3
318.35385	2.1
335.25787	99.7
336.26248	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	335.2188
Annotation	Unknow
Peak:m/z	Relative Intensity
55.76880	0.4
60.36819	0.5
70.42998	2.0
79.05521	0.6
80.43183	0.5
81.07050	0.8
83.89904	0.5
88.07619	0.6
91.05441	0.5
92.51719	0.5
93.33917	0.5
95.08559	0.8
97.78107	0.5
109.78701	0.5
146.05959	0.5
265.14114	0.8
283.13791	0.9
304.54770	0.5
317.19962	1.9
335.21881	100.0
335.29990	2.3
336.22302	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	335.2188
Annotation	PGB2
Peak:m/z	Relative Intensity
56.55835	0.7
63.64389	0.7
67.05506	1.2
70.81877	0.8
70.82213	1.5
79.05482	0.8
79.42446	0.7
81.07046	2.0
87.17098	0.7
87.99010	0.7
93.07014	1.1
95.01968	0.8
98.97638	0.7
105.07036	0.8
107.08609	0.7
107.24320	0.8
139.31549	0.6
145.71951	0.7
215.11237	1.2
233.17357	0.8
244.71216	0.7
306.97006	0.9
317.20703	3.4
335.21878	100.0
336.22256	6.7
358.22128	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.1235
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	3.5
53.11368	2.7
55.01861	3.5
55.45784	2.9
57.03413	2.8
57.07040	3.7
67.05477	4.4
67.55848	2.7
69.03427	5.5
70.06595	13.1
71.51979	3.1
72.08127	6.5
76.84788	2.9
81.07014	2.7
84.04484	3.4
84.08128	8.7
85.02931	6.0
85.06495	3.8
86.09721	4.3
91.05476	5.9
93.32571	2.4
94.06572	4.1
95.04960	2.8
96.04460	6.8
97.02882	5.8
99.04494	3.1
105.03408	4.2
105.07037	4.3
106.06577	4.0
108.04465	3.0
109.02843	4.7
110.06051	3.2
116.07052	3.3
117.50453	2.7
119.04922	3.6
120.08089	9.8
122.06024	11.6
124.03945	4.4
124.07602	4.3
129.06992	3.5
129.10245	6.7
130.06479	4.7
131.07274	2.8
131.11377	2.6
133.05179	4.7
136.07570	17.4
138.05476	3.0
139.79942	3.2
144.08087	5.4
145.08710	3.1
146.05998	9.9
146.09613	5.7
148.03929	3.1
148.07599	2.9
150.05443	4.6
152.07124	5.3
153.83080	2.9
155.06084	2.9
156.08070	4.0
158.09596	7.9
159.10205	2.9
160.07527	7.9
160.11255	4.1
162.05504	8.1
163.03909	3.0
164.07047	9.4
166.04967	3.2
166.08609	4.5
170.09605	5.1
171.08006	3.7
172.07547	16.3
173.07103	33.3
173.10744	6.5
174.09114	11.1
175.08691	5.8
182.08235	4.1
184.07567	18.8
186.09135	17.3
187.12256	8.2
188.07054	4.4
188.10706	6.6
189.10187	11.0
198.09200	17.2
199.08792	4.2
200.07114	20.8
200.10744	6.2
201.10150	18.4
202.08630	6.4
211.08421	3.1
212.07045	7.8
213.08002	3.5
214.08911	14.1
214.10506	3.7
215.11769	16.6
216.10275	5.9
217.09650	15.8
220.17932	2.9
225.10211	8.0
226.08588	10.2
227.08170	10.5
228.06544	8.2
228.10175	4.7
229.09691	46.8
230.08168	5.0
230.10422	4.1
239.08069	3.3
240.08905	6.6
241.09752	4.7
242.08055	8.2
242.10390	4.0
243.11282	40.1
244.09708	9.5
245.06898	5.0
245.09206	55.3
246.07506	3.8
253.09674	23.9
257.09180	9.8
258.09943	5.8
259.08356	5.9
259.10764	18.7
260.09140	10.8
261.12347	4.0
271.10767	100.0
272.08966	14.3
273.12299	3.5
274.10715	6.6
275.10413	4.6
281.09192	16.2
287.10214	51.4
287.13062	4.2
288.11176	4.2
289.11774	46.0
290.10168	42.5
299.10266	39.1
300.08685	33.4
305.11279	24.5
317.11279	45.4
318.09729	6.9
335.12326	47.5
335.16080	6.3
336.10617	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	335.1235
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.7
55.01863	1.8
55.05501	1.2
65.03918	0.9
67.05487	1.0
67.56017	0.7
69.03419	2.0
69.07050	0.7
70.06585	3.8
71.04993	4.3
71.52193	0.8
72.08140	2.1
79.05464	1.0
79.12670	0.6
80.04976	0.7
81.07083	0.8
84.04489	1.1
84.08125	1.8
85.02917	0.8
86.09700	3.2
91.05469	1.9
92.04988	0.7
94.06560	1.2
95.04946	1.1
96.04493	2.4
97.02896	0.7
105.07000	0.6
106.06583	0.7
108.04420	1.6
110.06041	1.4
110.07153	1.8
111.04395	0.8
113.05980	1.0
115.05469	0.7
119.04932	2.0
120.04421	1.3
120.08102	1.5
122.06023	4.2
123.06694	0.6
124.03967	1.0
124.07568	1.2
127.03909	0.8
127.07521	1.7
128.06219	1.3
129.06963	1.7
129.10213	0.9
130.06541	0.7
131.07101	1.2
133.06436	0.6
134.06052	0.9
136.07573	5.4
141.07028	0.9
143.07281	1.0
143.08466	0.8
143.16066	0.6
144.08060	3.3
145.08578	7.7
145.73421	0.6
146.05927	0.9
146.08438	0.7
146.09647	2.1
147.04439	1.3
147.09091	0.8
148.03941	0.6
148.07581	0.7
150.05530	1.3
152.07132	0.9
154.06512	1.9
155.07199	1.7
155.08502	1.0
156.08026	2.4
157.06474	0.7
157.07635	0.9
157.08820	1.5
158.06053	1.1
158.08467	1.1
158.09637	2.6
159.11287	0.8
160.07570	2.9
161.07083	0.9
161.10730	1.5
162.05502	0.7
164.07092	3.8
167.07106	1.3
168.06680	1.0
168.08003	1.0
170.09660	3.0
171.09163	0.9
172.07562	10.7
172.09930	2.6
172.11124	1.2
173.10753	3.1
174.07797	2.1
174.09146	2.8
175.03876	2.6
175.08661	6.1
179.80475	0.7
182.08228	1.7
182.09688	0.9
183.09195	1.3
184.06047	0.9
184.07561	9.9
185.07005	1.1
185.08418	1.0
186.07771	1.5
186.09146	5.5
187.08658	2.4
187.12308	6.7
188.07101	1.3
188.09383	1.7
188.10843	0.8
189.10211	5.2
197.10709	1.8
198.09143	12.5
199.06778	0.6
199.08580	3.7
200.07063	12.4
200.09390	4.7
200.10867	1.9
201.06509	1.1
201.10207	13.5
202.08766	1.0
202.10841	1.0
203.08064	0.9
207.06494	5.4
210.07675	0.8
211.08652	4.2
212.07071	3.7
212.09250	1.0
213.06485	3.6
213.10223	2.3
214.07248	2.7
214.08716	3.1
214.10898	1.2
215.08470	2.9
215.11774	20.0
216.08893	2.6
217.09660	7.6
225.10081	2.9
226.08635	5.2
227.08115	10.2
228.06505	4.0
228.08803	2.4
228.10522	1.2
229.09703	33.0
230.10280	1.5
231.11319	1.0
239.08150	2.3
241.09735	1.4
242.08257	1.1
242.10495	3.7
243.11276	35.6
245.09192	30.9
246.09518	0.7
253.09697	6.5
254.08202	1.1
256.08350	0.9
257.09171	12.5
258.07471	0.8
258.09930	2.9
259.10791	7.2
261.12357	0.9
271.10757	100.0
272.11044	2.6
273.12448	3.3
275.10382	1.1
281.09235	13.4
287.10233	31.9
288.10892	1.2
289.11780	15.4
299.10229	26.3
304.10303	0.8
305.11246	9.5
317.11285	26.7
335.12415	11.9
335.16092	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.1236
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03918	0.6
55.05514	0.9
55.40828	0.6
65.03940	4.1
67.05502	5.5
69.03420	0.7
69.07064	100.0
69.48932	1.4
69.49331	4.4
69.70945	0.6
70.06607	0.7
70.07430	0.6
79.05502	2.3
80.05012	1.2
81.03420	0.6
81.05792	0.7
81.07050	7.9
83.04946	0.6
85.02884	0.8
90.48159	0.6
91.05476	1.7
92.05004	3.6
93.07046	2.4
94.06569	4.4
95.04962	2.4
95.08607	1.6
96.08134	1.0
97.06526	15.3
104.04996	0.6
105.07034	2.1
107.07373	0.6
107.08611	2.2
108.04488	0.9
109.02907	0.7
109.06530	1.7
109.10175	2.1
119.03691	1.5
119.08560	1.3
120.04515	1.0
121.05286	1.1
121.06487	1.2
121.10117	1.9
122.06019	9.0
123.04440	0.6
123.11741	1.1
123.89308	0.6
124.07594	2.5
125.05962	1.4
127.03835	0.7
129.06996	0.9
130.06523	1.0
131.07294	1.2
131.08524	1.0
132.08095	0.8
133.10153	1.2
134.06058	0.7
135.08069	1.2
137.05963	3.0
138.05484	6.0
139.11142	0.7
140.07071	6.7
142.08641	1.5
143.07315	0.5
143.08559	0.6
144.08090	2.2
145.08849	2.9
145.10104	1.7
146.09627	4.8
147.04391	0.6
147.06816	1.0
148.03899	1.8
150.05495	75.5
151.05870	1.4
152.03511	0.8
152.07008	0.9
157.08870	2.4
158.05988	0.9
158.09673	1.1
159.10458	1.1
160.07547	1.5
160.99731	0.7
161.08365	3.5
162.09109	1.7
163.14731	0.6
164.03448	1.2
165.04172	1.4
166.04999	32.7
168.06612	1.6
168.89166	0.6
172.07584	2.0
172.11208	5.2
173.08389	1.7
174.09186	2.3
174.12796	4.9
175.03912	1.0
176.03421	10.0
176.04811	1.1
178.05016	2.3
179.60281	0.5
182.04454	0.9
185.08333	1.8
186.05600	0.7
186.07564	1.9
186.09096	1.3
187.09947	0.6
188.07083	0.7
188.10696	1.3
190.12286	4.5
192.02835	0.7
194.04448	3.5
198.07849	1.6
200.07034	1.4
200.10742	8.1
202.12289	8.4
204.10205	0.6
207.06535	0.8
213.10281	1.4
215.08083	0.6
216.10193	3.7
218.08328	1.3
218.11743	31.0
219.12177	1.0
225.10210	1.0
226.08662	1.3
227.11783	1.0
228.10191	17.2
228.12334	1.2
229.13416	0.6
230.11850	0.7
234.11246	4.1
240.45845	0.7
241.09618	0.8
243.11354	1.5
244.09680	1.9
245.12805	1.6
246.11244	23.5
253.09819	0.9
255.11205	1.7
256.09775	0.8
257.09155	1.6
261.08817	0.6
261.12375	1.2
262.10843	1.1
271.07901	0.8
271.10678	4.6
272.09128	3.8
273.12317	4.0
274.10699	2.7
287.10236	8.9
288.11041	1.0
289.11813	11.4
290.10110	1.6
291.13406	1.2
299.10242	5.8
300.08432	0.8
317.11307	25.9
318.09335	0.7
335.12332	20.6
335.22021	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	334.1494
Annotation	Unknow
Peak:m/z	Relative Intensity
52.37415	0.8
52.94598	0.9
53.03949	1.0
55.01868	1.1
56.96545	1.0
60.16009	1.0
61.02906	3.0
69.03424	7.6
69.65935	5.3
70.06587	2.9
71.98528	0.8
72.08131	1.1
73.02912	2.2
81.03405	3.0
83.01324	1.1
84.08126	0.9
85.02901	32.0
86.09689	4.0
86.65382	0.9
87.04450	1.2
91.03929	1.6
91.05482	12.5
97.02875	9.1
97.06190	0.9
98.98466	1.1
99.04417	1.1
109.02869	1.9
116.07095	1.8
116.98568	1.1
119.04927	7.8
120.08082	1.1
127.03923	5.0
130.06548	1.4
132.08066	1.2
137.05971	100.0
138.06316	1.3
145.04947	7.6
154.08652	1.3
155.06996	7.4
159.09196	1.8
163.06007	1.3
175.08687	2.2
179.06943	1.6
180.08630	3.2
183.43858	0.8
221.09204	3.1
245.07965	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.1186
Annotation	Unknow
Peak:m/z	Relative Intensity
51.45295	0.9
56.96300	1.8
56.96556	25.2
58.99852	1.2
62.45526	0.8
62.67247	1.0
69.03425	1.4
70.05087	4.2
70.06577	3.8
70.98098	2.7
72.08146	1.3
74.97598	1.8
75.13065	0.9
81.03424	1.1
82.99849	1.9
84.04482	1.2
84.08129	1.5
84.96033	1.9
85.02892	2.6
86.09693	1.6
88.99148	1.9
97.02853	2.7
98.97563	8.4
100.99132	1.4
101.00860	16.5
105.00401	1.3
110.97565	1.2
112.99120	1.7
113.00861	3.8
115.02418	3.8
116.98592	5.7
119.01911	38.3
121.25726	1.0
127.02438	1.3
128.98624	3.0
129.03973	1.8
129.10202	1.4
130.06499	1.1
131.00215	1.5
131.01898	19.3
131.05518	7.2
133.01659	1.3
133.03378	4.4
134.99638	3.3
137.02908	3.9
138.01492	0.9
142.03406	1.3
143.00151	1.7
143.01878	64.3
144.02061	2.1
144.98112	5.5
145.03459	7.4
146.99664	3.0
147.01369	1.5
147.04961	3.3
149.01212	2.4
149.02969	4.0
149.06575	10.6
150.99081	1.0
155.01871	21.0
155.05437	1.8
156.02675	2.3
157.03444	4.0
158.99649	2.0
159.05023	2.9
161.02939	100.0
162.03085	4.1
162.99115	7.4
167.05585	1.1
171.05055	2.1
173.02942	22.9
173.04352	1.8
173.06578	25.0
174.03099	1.3
174.06822	1.2
175.02711	0.9
175.04488	2.0
177.00734	2.6
177.06070	3.9
179.04086	1.3
181.00169	2.9
184.04536	5.2
185.02992	2.3
185.06570	27.0
186.06625	1.4
186.99191	1.2
187.08124	6.2
191.02141	1.0
191.07562	9.2
193.01674	2.6
199.08246	1.3
203.02330	1.6
203.03990	6.1
203.07622	15.9
205.00182	7.5
205.09329	1.4
208.99864	1.3
209.06537	1.3
211.02757	4.1
215.07593	13.2
217.09215	1.8
219.01697	3.1
221.05032	19.0
223.01244	15.2
223.04805	1.6
227.07625	3.6
232.99690	1.2
233.08754	3.4
237.02795	4.6
241.02301	3.7
245.05013	1.9
247.01164	4.5
257.08606	4.9
259.01291	1.4
265.02310	1.1
273.02939	1.1
275.00793	1.4
275.09741	33.9
276.10089	1.9
293.01810	3.3
293.10779	76.2
294.10941	2.7
307.10669	2.0
316.12381	3.3
317.01797	2.8
335.02847	3.3
335.11838	44.5
336.11914	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.2032
Annotation	Unknow
Peak:m/z	Relative Intensity
53.86095	0.9
65.64507	0.8
67.05497	2.1
69.78829	5.4
77.00906	1.3
79.05461	1.5
81.07047	1.3
82.19370	0.8
88.07607	1.2
98.21431	1.3
98.98454	8.9
176.98967	1.3
193.04968	1.7
193.12334	0.8
195.09895	1.8
202.31081	0.9
215.11313	0.9
231.10780	1.3
242.24734	1.2
309.08917	1.2
333.20334	100.0
334.20508	2.6
334.29486	2.5
351.20102	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.2032
Annotation	Unknow
Peak:m/z	Relative Intensity
56.25322	0.7
57.07053	1.6
67.05497	1.3
70.06570	1.1
70.26203	2.4
71.08618	1.2
75.36562	0.7
77.00885	1.8
79.05473	1.8
81.07026	1.2
87.04476	1.5
88.07632	2.2
91.05434	1.1
93.07016	1.2
98.98456	16.4
100.98891	1.3
105.07027	1.4
119.08620	1.2
121.10117	1.1
133.10124	1.3
137.99477	0.8
149.02312	1.6
169.32127	0.7
172.97964	0.9
176.98917	2.0
177.38039	0.8
193.04944	2.1
194.05334	0.8
201.09743	1.0
202.00159	0.9
213.09729	1.3
215.11240	2.2
218.63809	1.9
227.11324	1.2
231.10797	1.8
253.39896	0.8
271.28317	1.0
292.22653	1.0
302.23990	1.2
315.18207	1.4
330.11636	0.8
333.20328	100.0
333.25708	3.5
333.25824	3.7
333.32010	3.0
333.76041	1.2
334.20572	3.5
351.20139	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.1904
Annotation	Unknow
Peak:m/z	Relative Intensity
51.68981	2.4
53.03935	3.4
53.16355	2.3
55.01871	6.0
55.05498	6.2
57.03428	6.2
59.05000	3.2
61.02925	2.8
61.99346	2.7
64.72527	2.9
67.05506	5.1
69.03417	11.7
69.07059	8.2
69.89440	5.3
69.89848	9.4
70.06580	10.2
70.78143	2.2
71.04977	10.3
72.08153	6.8
73.02899	3.2
79.05477	7.8
81.03422	5.4
81.07050	11.4
84.04501	7.8
84.08108	12.9
85.02898	27.5
86.09686	9.8
91.05478	13.5
93.07034	18.6
95.04953	7.5
95.08622	4.8
97.02901	9.3
97.06531	3.7
98.98458	40.3
100.98891	4.6
103.05474	3.2
105.03381	36.2
105.07023	15.3
107.04971	5.1
107.08590	11.9
109.02853	6.7
109.06503	5.2
109.10144	5.5
110.07141	6.6
115.03851	2.5
117.07024	3.2
119.08600	7.4
120.08123	8.3
121.02841	4.4
121.06470	5.2
123.04403	3.3
123.08027	3.3
127.03918	6.8
129.07022	3.7
129.10237	8.2
131.08572	7.3
133.04915	3.9
133.06471	2.5
135.08078	3.8
135.11664	10.0
137.05899	4.0
137.13246	4.2
143.08556	5.4
144.06615	4.0
145.10147	5.3
146.06001	7.9
147.05472	3.4
147.08055	9.8
147.11702	3.4
153.12726	14.0
156.07562	2.7
159.07996	3.9
164.07016	2.7
165.12762	8.4
166.04951	2.8
169.01331	24.7
171.05629	4.8
173.09615	7.0
175.03917	3.4
176.98970	6.4
177.12738	2.6
179.07050	12.4
181.06332	2.8
186.01611	3.4
187.10910	2.4
188.06982	3.4
192.06734	3.3
231.13766	5.0
241.09859	3.2
244.03717	4.3
245.04480	4.4
261.03815	2.7
262.04874	3.1
273.04095	5.1
279.15970	3.2
287.10254	3.5
290.04309	5.5
294.86584	2.5
297.17053	3.7
301.03482	6.8
315.09726	7.3
315.18057	4.5
318.03787	19.0
333.06070	100.0
333.10602	11.2
333.14221	8.4
334.06418	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	333.2032
Annotation	Unknow
Peak:m/z	Relative Intensity
57.11323	0.4
70.92433	1.2
71.30680	0.3
81.07056	0.5
98.98462	2.9
138.86615	0.4
175.14987	0.4
185.06596	0.6
215.61002	0.4
241.12894	0.4
243.14388	1.8
259.20859	0.4
261.15408	0.4
263.12439	0.6
333.20319	100.0
334.20624	3.6
334.24005	0.7
351.20255	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.1904
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	4.4
55.01865	7.1
55.05499	9.8
56.05019	3.2
57.03430	6.6
57.79633	2.8
61.57267	2.7
62.62536	2.5
67.05482	5.4
68.01949	2.3
69.03415	11.3
69.07054	9.0
70.06591	26.1
71.04977	16.0
71.52151	4.3
72.08151	16.5
73.02908	2.7
74.06071	3.7
78.04213	3.1
79.05486	11.7
81.03403	8.6
81.07045	18.0
81.07450	3.3
82.53049	2.3
83.08590	3.0
84.04510	14.3
84.08131	26.3
85.02895	32.0
86.09695	19.0
91.05482	17.4
93.07046	21.0
95.04958	7.0
95.08585	9.6
97.02889	11.7
97.06553	3.6
98.98459	37.0
103.03939	4.6
103.05456	4.1
105.03385	29.3
105.07028	16.0
107.04942	4.3
107.08580	20.4
109.02858	6.1
109.06497	4.4
109.10190	3.8
110.07167	12.2
113.70837	3.3
117.07010	7.2
119.04913	4.4
119.08578	12.1
120.08096	10.3
121.06524	6.9
124.07574	3.0
127.03914	6.2
129.10262	13.6
131.08543	9.0
133.04953	5.2
133.10138	4.4
135.11679	14.5
136.07530	5.3
136.38443	2.7
137.05946	6.6
143.08546	6.1
144.06580	5.4
145.05008	5.5
145.10133	7.9
146.05986	8.6
147.08020	12.0
147.11655	3.0
149.09531	4.4
151.03880	6.9
153.06964	3.8
153.12747	23.8
155.08496	4.2
156.07719	5.5
159.08070	6.6
159.11688	6.0
165.12756	10.0
167.07050	6.4
169.01318	24.2
171.05536	10.7
171.11624	3.4
173.09615	11.2
173.13164	3.1
174.13156	4.7
175.07504	4.0
176.98982	4.8
179.07021	7.5
181.08586	3.6
187.10838	3.7
189.12747	4.6
191.10683	3.3
207.13770	4.0
243.13773	3.3
245.04289	6.3
254.06905	2.8
264.70227	3.4
273.03848	3.9
273.08502	2.7
288.98581	3.0
289.03378	4.4
290.04221	4.6
301.03552	7.6
315.09805	5.9
315.13235	3.4
315.18137	3.3
318.03598	24.2
333.06067	100.0
333.10532	11.7
333.14279	7.2
334.06332	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	333.1732
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05489	1.1
56.17216	0.7
56.96558	38.9
59.49315	0.8
63.89242	0.8
64.95198	0.8
67.05491	2.3
69.07034	1.2
69.17460	2.0
69.17867	7.3
71.95259	7.8
72.96021	1.3
74.97585	2.6
79.05464	1.1
81.07028	1.6
84.96010	3.0
91.05436	1.9
93.07030	1.4
95.08592	1.6
97.96794	1.9
98.98440	7.4
105.06982	1.9
107.08583	1.3
110.97548	8.9
115.97781	1.7
116.98495	1.9
123.01192	2.6
128.97696	1.3
128.98592	20.1
131.00006	5.7
133.98819	1.5
137.02724	2.1
140.98434	6.3
143.00003	4.0
146.99625	23.7
148.98871	0.9
149.01187	1.1
152.00191	0.9
153.99149	1.8
154.99989	3.4
155.03761	2.2
157.01573	1.6
161.01123	5.2
161.04825	1.1
165.00829	4.1
165.02039	1.3
167.00015	3.1
169.01535	3.0
170.01199	1.2
171.03217	2.2
174.98988	4.0
175.02721	2.1
177.02132	1.1
179.02271	2.0
181.01602	1.3
183.03180	1.7
185.01045	3.0
185.04886	1.5
186.98988	1.1
189.00560	5.1
189.04324	1.9
190.99892	1.3
191.03696	1.8
193.05231	1.0
195.03076	1.0
201.00481	1.0
203.02094	2.2
203.03972	1.0
203.05878	2.5
209.01010	2.1
213.00394	0.9
215.02065	1.3
223.06390	1.0
225.08011	1.5
227.09537	0.9
237.10136	1.1
241.10982	1.4
245.10538	1.1
252.10307	0.9
259.12094	1.0
263.09518	5.5
264.10214	1.1
265.11185	1.9
277.11145	2.4
281.10553	1.2
283.12140	1.2
303.12567	3.1
313.14465	1.0
315.16238	55.3
316.16592	2.0
317.14233	1.4
321.13672	1.0
331.12091	1.1
331.15765	3.0
333.13608	8.0
333.17276	100.0
333.23929	2.8
333.31766	3.1
334.17682	6.1
351.18396	23.1
354.16943	0.9
356.18939	24.6
357.19119	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.144
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	0.7
53.78360	0.4
55.05490	1.7
58.90520	0.4
65.03934	3.5
67.05478	0.8
69.07066	0.5
69.25468	4.9
70.06568	0.5
71.04983	0.5
75.70996	0.4
79.05485	5.3
81.05766	1.8
81.07021	1.3
82.06554	0.8
83.08588	0.6
84.08115	0.7
91.05471	1.7
92.04987	5.4
94.06565	3.1
95.04942	0.7
95.08584	0.7
96.08112	13.1
97.06507	1.6
98.98449	2.2
100.11229	1.3
105.07011	0.7
106.06530	2.6
109.06508	0.8
110.06046	1.0
111.04391	0.5
114.09131	0.5
118.06530	0.6
122.06059	1.1
124.07565	8.2
126.09140	15.1
133.10097	0.7
134.05998	1.7
136.07536	2.0
137.05959	0.7
138.05475	6.9
140.06961	0.6
146.05959	1.5
147.07970	0.6
148.03940	1.1
152.07045	100.0
153.07384	1.7
154.08580	1.8
162.05478	33.8
164.07022	1.0
166.04977	75.0
166.52930	0.5
167.05397	1.1
167.06891	0.6
180.06535	24.4
181.06841	0.5
181.08527	0.6
182.08057	1.4
190.04996	3.1
203.96443	0.5
208.06018	67.3
209.06306	1.6
227.11790	1.3
231.10567	0.5
242.11685	1.1
245.12903	3.1
248.11569	1.0
259.14355	0.9
269.12827	1.5
270.10962	0.5
273.12247	5.3
287.13889	7.0
305.14871	1.7
312.62042	0.5
315.13354	7.0
333.14407	25.1
334.14716	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.1442
Annotation	Unknow
Peak:m/z	Relative Intensity
50.57101	0.9
53.03913	1.1
55.01862	1.0
67.05489	4.2
68.99773	1.6
69.03423	2.4
69.07050	3.0
70.06573	4.3
71.04963	1.2
71.19444	2.7
72.08145	1.1
79.05483	3.4
80.04994	1.6
81.03410	1.3
81.07051	2.4
82.06541	0.9
83.04977	1.3
84.04509	1.5
84.08137	3.6
85.02893	2.2
86.09705	7.7
87.05565	1.2
87.10040	2.0
91.05477	2.6
92.02594	1.8
93.03390	3.5
93.07024	2.9
94.06552	4.2
95.04958	1.4
95.08640	2.1
97.02899	1.1
98.98451	13.0
100.98901	1.7
105.03380	1.9
105.07001	1.5
106.06549	6.7
107.04935	2.9
107.07351	1.3
107.08595	2.2
108.08084	2.5
109.02863	2.9
110.06022	2.7
110.07184	1.5
110.60871	1.0
111.04420	2.5
115.05434	1.3
118.06554	1.5
119.08565	1.4
120.08060	5.0
121.02880	2.9
122.06042	5.9
123.04482	1.3
124.07578	1.4
129.10202	1.2
131.01591	1.1
131.08530	1.7
132.08049	1.4
133.10132	1.0
134.06010	9.7
135.04387	2.7
136.07553	2.3
137.05994	2.2
139.03842	1.4
142.02617	1.4
144.08002	2.4
145.10126	1.2
146.05992	1.3
147.09268	1.0
148.07585	8.1
149.02414	1.2
151.03911	4.8
152.07060	9.7
153.01801	5.5
153.12613	1.1
158.09593	1.5
159.09158	2.0
160.07608	2.4
161.07094	1.7
164.07065	2.5
166.08643	9.7
167.07158	2.9
168.00537	1.6
169.01292	20.5
169.02640	1.6
170.09637	3.1
172.07574	1.8
172.11179	2.0
173.12886	3.4
174.09109	1.2
174.13130	1.9
175.08725	1.5
176.98933	2.0
180.02899	1.2
181.08723	1.2
182.09647	3.4
184.07567	1.8
184.09818	6.0
184.11258	3.9
185.10750	2.0
186.01544	1.5
186.09099	2.1
187.12360	2.3
190.08528	1.7
196.11349	1.6
197.10727	1.9
198.11336	2.2
199.08687	3.0
199.12303	11.0
200.10764	1.6
201.10243	2.7
201.12132	1.5
202.12601	1.1
210.09105	2.4
211.08569	2.9
212.09450	3.3
213.10173	4.3
214.10789	1.4
215.11745	7.5
217.04817	2.1
217.12900	1.4
219.02878	1.2
225.94330	1.1
226.10886	2.3
227.11774	58.8
228.12300	1.9
233.04449	2.3
239.02190	1.3
241.09628	2.3
241.13397	6.8
243.11272	1.9
244.03683	3.4
244.13358	1.6
245.04414	3.7
245.12784	14.9
247.02423	2.2
255.11331	9.3
256.12045	1.1
257.12823	3.1
259.06012	1.2
261.03903	2.9
262.04666	2.9
269.08170	1.8
269.12823	14.1
271.10565	1.0
271.14423	2.0
273.03970	3.7
273.09573	1.4
273.12283	7.5
275.13925	3.0
285.87994	1.1
287.05591	5.0
287.13861	40.5
289.03482	2.4
290.04108	3.5
297.12366	4.1
300.02524	1.2
301.03351	7.3
301.12003	5.1
305.11475	1.0
305.14935	25.4
315.09647	2.7
315.13300	14.2
318.03662	19.5
319.03952	1.2
333.06018	100.0
333.14307	10.1
334.06256	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	333.1442
Annotation	Unknow
Peak:m/z	Relative Intensity
50.57101	0.9
53.03913	1.1
55.01862	1.0
67.05489	4.2
68.99773	1.6
69.03423	2.4
69.07050	3.0
70.06573	4.3
71.04963	1.2
71.19444	2.7
72.08145	1.1
79.05483	3.4
80.04994	1.6
81.03410	1.3
81.07051	2.4
82.06541	0.9
83.04977	1.3
84.04509	1.5
84.08137	3.6
85.02893	2.2
86.09705	7.7
87.05565	1.2
87.10040	2.0
91.05477	2.6
92.02594	1.8
93.03390	3.5
93.07024	2.9
94.06552	4.2
95.04958	1.4
95.08640	2.1
97.02899	1.1
98.98451	13.0
100.98901	1.7
105.03380	1.9
105.07001	1.5
106.06549	6.7
107.04935	2.9
107.07351	1.3
107.08595	2.2
108.08084	2.5
109.02863	2.9
110.06022	2.7
110.07184	1.5
110.60871	1.0
111.04420	2.5
115.05434	1.3
118.06554	1.5
119.08565	1.4
120.08060	5.0
121.02880	2.9
122.06042	5.9
123.04482	1.3
124.07578	1.4
129.10202	1.2
131.01591	1.1
131.08530	1.7
132.08049	1.4
133.10132	1.0
134.06010	9.7
135.04387	2.7
136.07553	2.3
137.05994	2.2
139.03842	1.4
142.02617	1.4
144.08002	2.4
145.10126	1.2
146.05992	1.3
147.09268	1.0
148.07585	8.1
149.02414	1.2
151.03911	4.8
152.07060	9.7
153.01801	5.5
153.12613	1.1
158.09593	1.5
159.09158	2.0
160.07608	2.4
161.07094	1.7
164.07065	2.5
166.08643	9.7
167.07158	2.9
168.00537	1.6
169.01292	20.5
169.02640	1.6
170.09637	3.1
172.07574	1.8
172.11179	2.0
173.12886	3.4
174.09109	1.2
174.13130	1.9
175.08725	1.5
176.98933	2.0
180.02899	1.2
181.08723	1.2
182.09647	3.4
184.07567	1.8
184.09818	6.0
184.11258	3.9
185.10750	2.0
186.01544	1.5
186.09099	2.1
187.12360	2.3
190.08528	1.7
196.11349	1.6
197.10727	1.9
198.11336	2.2
199.08687	3.0
199.12303	11.0
200.10764	1.6
201.10243	2.7
201.12132	1.5
202.12601	1.1
210.09105	2.4
211.08569	2.9
212.09450	3.3
213.10173	4.3
214.10789	1.4
215.11745	7.5
217.04817	2.1
217.12900	1.4
219.02878	1.2
225.94330	1.1
226.10886	2.3
227.11774	58.8
228.12300	1.9
233.04449	2.3
239.02190	1.3
241.09628	2.3
241.13397	6.8
243.11272	1.9
244.03683	3.4
244.13358	1.6
245.04414	3.7
245.12784	14.9
247.02423	2.2
255.11331	9.3
256.12045	1.1
257.12823	3.1
259.06012	1.2
261.03903	2.9
262.04666	2.9
269.08170	1.8
269.12823	14.1
271.10565	1.0
271.14423	2.0
273.03970	3.7
273.09573	1.4
273.12283	7.5
275.13925	3.0
285.87994	1.1
287.05591	5.0
287.13861	40.5
289.03482	2.4
290.04108	3.5
297.12366	4.1
300.02524	1.2
301.03351	7.3
301.12003	5.1
305.11475	1.0
305.14935	25.4
315.09647	2.7
315.13300	14.2
318.03662	19.5
319.03952	1.2
333.06018	100.0
333.14307	10.1
334.06256	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	333.0601
Annotation	Quercetagetin 4'-methyl ether
Peak:m/z	Relative Intensity
53.07384	0.5
65.03937	1.4
68.99792	1.4
69.03423	0.7
70.06577	1.7
71.52511	0.8
72.08152	0.7
77.91463	0.4
79.05484	0.6
79.84001	0.4
81.03407	0.8
81.07059	0.5
82.06586	0.5
84.08134	1.2
85.02911	1.0
86.09701	0.9
86.43164	0.4
88.97293	0.4
89.91843	0.6
91.05466	0.8
92.02592	0.6
93.03407	3.2
93.07036	0.5
95.04949	0.7
98.98470	5.2
99.00809	0.5
105.06981	0.7
109.02868	1.2
109.26295	0.5
110.07120	0.5
111.04427	0.5
120.08123	1.0
121.02842	2.5
121.06499	0.6
123.04402	0.7
129.10258	0.6
133.02827	0.7
133.10156	0.5
135.04442	0.5
136.07558	0.8
137.02319	0.6
137.05928	0.8
139.03925	0.7
142.02628	1.5
148.38890	0.4
151.03893	3.3
151.04922	0.6
153.01814	3.5
153.05455	0.9
155.03407	0.9
163.03931	0.5
167.03389	0.5
167.07024	0.8
168.00499	1.1
169.01314	24.1
171.04459	0.7
171.12012	0.6
175.03960	0.6
176.98888	0.7
179.03416	1.2
185.00914	0.6
186.01633	1.5
188.04662	0.5
189.05400	0.5
199.04010	0.7
213.05498	0.4
213.10474	0.6
214.08636	0.6
216.04207	0.9
217.04984	2.0
219.02863	2.0
220.03696	0.6
227.03400	0.7
231.02914	0.5
232.03616	0.6
233.04428	1.7
234.04994	1.1
235.02426	0.7
242.15565	0.5
243.03079	0.6
244.03656	2.8
245.04448	6.3
247.02301	1.4
255.02875	0.7
259.06229	0.6
261.03888	3.5
262.04617	3.4
272.03064	0.9
273.03903	3.5
277.06995	0.8
283.02356	1.1
287.05493	5.0
287.13834	0.8
289.03409	3.5
290.04153	6.0
300.02509	1.2
301.03406	7.9
302.04068	0.5
304.05634	0.9
306.43475	0.5
315.04840	0.9
315.13339	0.9
318.03687	23.1
319.03955	0.6
333.06021	100.0
334.06451	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.284
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05493	8.0
57.03418	6.2
57.06800	5.2
57.07072	87.6
67.05506	19.6
69.07056	14.2
70.06594	11.2
70.21296	9.2
71.06927	2.3
71.08248	3.7
71.08627	58.9
79.05499	4.2
81.07051	30.7
83.08607	19.2
85.10182	34.6
88.07636	14.2
89.07951	3.2
93.07047	2.8
95.08595	40.8
97.10162	11.8
98.98463	98.8
99.11716	3.9
106.08669	6.1
109.10146	21.5
111.11707	3.8
116.99530	4.1
123.11672	9.8
137.13214	6.7
138.92679	2.2
151.14902	3.3
174.99269	4.3
175.03891	3.0
176.98909	7.8
177.61153	2.1
196.33710	2.3
219.75485	2.3
221.22572	3.9
239.23744	14.6
245.13109	2.5
257.24738	4.3
301.03439	2.6
313.27341	52.2
313.31061	2.6
313.32932	6.3
331.08087	9.8
331.26117	3.7
331.33978	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	332.1339
Annotation	5'-O-beta-D-Glucosylpyridoxine
Peak:m/z	Relative Intensity
56.96555	1.5
57.03436	1.1
61.02912	2.5
67.05488	3.3
69.03429	8.1
70.04738	2.0
70.05160	3.5
73.02915	3.0
79.05470	1.4
81.03422	1.5
85.02901	9.3
87.04469	1.4
91.03961	1.2
92.04971	0.9
97.02888	3.8
97.89679	1.0
98.21415	1.7
98.97564	2.6
99.04404	1.0
106.06555	3.2
108.08111	100.0
109.02812	1.4
123.06801	4.0
124.07587	23.0
127.03921	2.5
134.06023	9.8
136.07573	12.9
150.05507	2.2
152.07062	68.6
153.05489	4.1
153.07375	1.6
154.08667	1.7
161.05492	2.1
170.08102	8.0
242.07947	1.3
250.98671	1.1
314.12314	37.2
321.10315	2.0
332.13397	49.1
334.99872	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	332.1336
Annotation	Unknow
Peak:m/z	Relative Intensity
51.37545	2.1
51.93647	2.3
53.03944	3.1
55.01847	2.6
55.05498	2.8
56.96540	4.1
57.03428	4.9
61.02919	9.3
68.42485	2.7
68.55364	2.3
69.03417	18.3
69.07055	3.4
70.06581	3.7
70.70556	4.5
70.70899	5.6
72.08151	26.0
73.02918	5.0
81.03406	9.6
84.04501	5.1
84.08130	3.7
85.02900	100.0
86.09695	48.3
87.04433	3.3
89.07124	2.7
89.92587	2.6
91.03955	7.3
91.60233	2.1
97.02877	28.7
98.98459	58.1
99.04453	6.8
100.98913	3.2
102.05537	2.7
107.04942	32.6
109.02847	7.2
115.03919	2.9
123.05529	4.0
127.03902	27.2
129.10176	4.6
130.08627	6.9
135.25314	2.7
136.06181	5.7
137.06007	5.4
137.34697	2.3
143.11740	3.6
145.04945	39.9
152.07083	5.4
153.05443	13.0
162.07571	3.7
163.05930	4.9
170.08087	6.2
173.05875	3.5
176.98923	5.2
180.08662	13.2
185.16458	12.5
199.18060	6.8
213.15881	3.9
219.06508	5.5
242.07072	2.9
296.19965	2.6
315.15115	3.8
332.17493	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	332.2174
Annotation	Unknow
Peak:m/z	Relative Intensity
51.71906	0.7
53.03946	0.8
55.01859	0.7
55.05497	1.9
56.05022	0.8
57.03431	0.7
58.33376	0.7
60.04515	19.3
65.03902	0.7
67.05504	1.2
68.99798	0.6
69.03428	1.7
69.07063	7.7
70.06567	5.4
70.71341	1.2
70.71693	1.6
72.08131	1.4
79.05475	1.1
81.03434	0.9
81.07048	1.4
84.04490	1.5
84.08134	2.5
85.02885	2.3
86.09694	100.0
87.05585	6.4
87.10028	1.3
91.05477	1.3
91.80978	0.7
93.07034	0.9
95.05004	1.2
98.98451	11.0
103.05465	0.7
103.66586	0.7
105.03413	0.9
106.06536	1.6
108.08096	1.0
109.02880	1.3
110.06022	0.8
110.07186	1.3
120.08073	3.8
121.02839	0.9
122.05999	1.5
124.07574	1.7
128.10687	8.2
129.10254	1.2
132.10181	9.0
134.06059	1.2
135.04417	0.8
137.06007	1.4
140.07106	0.8
141.44836	0.7
144.49353	0.9
148.07533	1.3
151.03874	3.8
152.07083	1.4
153.01857	3.3
166.08656	1.7
167.07112	0.8
169.01305	6.9
173.12840	62.3
176.99077	0.9
178.05678	0.9
180.70152	0.8
182.09659	1.0
184.09904	1.7
186.01598	0.9
187.03668	0.8
187.58372	0.7
199.12364	2.1
200.10759	0.8
201.12323	20.8
213.10219	0.8
215.11816	1.5
219.13358	15.3
223.07576	0.8
227.11745	9.0
241.13388	1.1
244.03709	1.5
245.04485	2.2
245.12918	2.5
255.11296	2.3
261.03906	2.4
269.12869	3.0
273.03906	2.2
273.12054	1.0
287.05542	2.9
287.13895	5.6
289.03436	2.3
290.04276	1.7
300.02643	0.8
301.03470	2.4
301.11713	1.3
304.05423	1.9
305.14957	4.4
315.04810	1.4
315.09451	0.8
315.13367	2.5
317.03131	1.3
317.06628	3.0
318.03656	7.4
331.04572	1.3
332.04965	7.4
332.08249	1.0
332.12823	1.6
333.06000	42.5
333.14502	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	331.1285
Annotation	Unknow
Peak:m/z	Relative Intensity
51.81722	0.3
53.03938	0.5
55.01856	0.4
55.05488	0.4
60.04499	0.5
65.03911	0.7
67.05485	2.6
68.05012	0.9
69.03400	1.1
69.07063	4.3
69.40105	3.3
70.06577	1.1
72.08157	0.4
79.05485	1.1
80.04989	0.7
81.07055	0.6
82.48609	0.4
84.04470	0.9
84.08128	1.5
85.02911	0.7
86.09683	2.8
87.05550	0.4
89.03896	0.7
91.05467	0.8
93.05806	0.7
94.06556	14.7
95.04942	1.7
95.08624	0.7
96.04463	0.5
97.05254	0.4
97.06517	0.9
98.06046	0.8
98.20826	0.8
98.98456	20.8
100.98893	0.8
107.04957	0.7
108.08093	1.5
110.06036	4.1
112.07582	1.6
116.04971	3.6
116.99517	0.7
117.05610	0.4
118.06552	0.9
120.04391	0.8
120.08094	0.9
120.83705	0.4
122.06014	26.7
123.04395	1.1
123.75457	0.4
124.07573	0.8
127.03883	0.8
129.10190	0.5
130.06456	0.4
132.04483	0.6
134.06020	1.6
136.07492	0.4
138.09102	0.5
140.07045	35.3
141.07814	3.0
142.08664	0.8
144.04431	7.8
146.05984	14.6
147.06779	0.5
148.03914	0.5
148.07552	6.0
151.11168	0.7
154.08691	0.4
155.11737	0.6
157.07631	0.6
162.05467	3.9
164.07076	0.4
169.04955	0.6
169.07594	6.7
169.12251	0.5
172.03917	27.1
174.05469	1.7
174.99208	0.8
176.98889	1.8
181.06265	0.6
182.07237	0.5
190.04965	100.0
191.05518	1.8
192.06531	7.9
200.14023	2.0
209.11761	0.4
222.00012	0.4
242.11679	0.7
244.09663	0.4
246.06914	0.4
267.11160	0.6
271.09644	0.4
286.10669	1.3
313.11761	4.0
314.11594	0.5
331.04471	0.9
331.12820	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	330.1183
Annotation	Lithospermoside
Peak:m/z	Relative Intensity
53.03939	0.4
55.01889	0.3
56.96552	0.7
58.20384	0.2
65.03903	0.3
67.05486	1.3
69.03418	0.9
69.30672	0.8
69.31075	2.2
70.06561	0.5
72.08134	0.4
73.02895	0.4
74.10255	0.3
77.70381	0.3
81.03405	0.8
84.08120	1.1
85.02895	1.6
85.08498	0.3
85.92244	0.3
86.09683	0.4
93.63080	0.3
94.06554	5.5
97.02898	1.4
98.97585	0.8
98.98459	3.6
100.16087	0.3
106.06532	2.2
108.08101	0.4
110.07203	0.4
116.25201	0.3
116.98611	0.5
119.01884	0.4
122.06022	4.9
128.98557	0.4
129.10229	0.4
131.01904	0.5
133.03473	0.4
140.07007	0.6
150.05486	100.0
151.05887	2.8
152.07048	0.4
163.04507	0.3
168.06540	33.3
168.10135	0.7
169.05396	0.3
169.06850	0.9
172.94299	0.7
174.97626	1.0
182.00020	0.7
187.04410	0.4
190.95262	0.6
192.98752	0.5
208.96393	0.4
216.98833	0.4
219.01813	0.4
221.04976	0.5
224.99905	0.3
234.99701	0.5
240.05870	0.4
245.04974	0.6
250.31868	0.4
251.98811	0.7
252.48868	0.5
258.99863	0.7
264.95532	0.3
277.00851	0.3
330.07803	0.3
330.11667	1.2
330.15128	0.6
348.99268	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.2839
Annotation	1-Palmitoyl-sn-glycerol
Peak:m/z	Relative Intensity
55.05509	14.0
57.03428	7.9
57.07073	100.0
59.07448	1.8
61.98529	1.8
67.05502	28.2
69.07063	16.9
70.06577	3.5
71.08627	71.5
75.04459	3.4
81.07052	37.5
83.08219	2.3
83.08620	23.7
85.10174	39.6
88.07619	7.3
88.88615	2.0
93.07059	2.7
95.08605	53.3
97.10184	12.5
98.98460	33.1
99.11682	4.1
103.07532	2.3
108.74075	1.9
109.10149	25.6
111.11715	3.0
123.11713	12.6
125.13222	3.7
135.11623	2.7
137.13251	3.7
151.14784	2.5
167.34407	2.4
174.99254	2.5
190.78848	2.0
221.22672	1.9
229.13739	1.9
239.23654	21.1
257.24643	4.3
260.50278	1.9
313.27335	56.6
313.32864	3.1
314.27585	3.2
327.61679	1.9
331.08185	4.0
331.33997	44.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.0808
Annotation	Apometzgerin
Peak:m/z	Relative Intensity
56.58202	0.4
69.24556	4.6
91.05397	0.5
93.06941	0.6
98.21487	0.6
98.98454	29.1
98.99047	1.4
100.98803	0.8
109.02787	0.8
116.99411	1.2
119.08508	0.6
137.02257	0.4
151.03802	1.2
153.01814	2.2
159.63298	0.4
161.05780	0.5
165.23711	0.4
174.99127	1.2
175.03908	0.4
176.98935	2.3
178.06050	0.4
179.03401	0.5
183.08110	0.3
187.03831	0.4
189.05388	1.1
190.95317	0.5
199.03821	0.5
203.03336	0.5
213.05351	0.6
217.04944	6.9
228.04033	1.4
229.04784	1.4
241.04936	0.5
242.05641	0.5
243.06467	0.6
245.04419	12.7
246.04904	0.5
257.04413	0.8
258.05347	0.5
259.05884	0.6
269.04309	0.6
271.05862	0.5
273.03903	12.4
282.71124	0.5
285.03839	0.8
285.63358	0.5
287.05392	3.3
288.06180	2.9
299.05438	1.1
300.02563	2.6
301.03400	24.0
302.03830	0.6
315.04932	15.2
316.05734	69.3
317.06064	1.6
331.08087	100.0
331.11374	4.0
332.08380	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	330.2636
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	2.9
56.96562	2.5
57.07056	2.7
57.15101	0.9
58.06585	1.2
67.05503	4.9
69.07058	1.8
70.06583	2.3
70.81364	2.5
70.81729	1.8
72.08128	1.6
79.05489	2.2
81.07047	4.6
83.04967	1.6
83.08624	1.4
87.04463	7.0
88.07611	2.8
91.05471	2.2
93.07048	2.7
95.08603	2.2
97.10161	1.6
98.98457	100.0
100.98882	1.8
101.05994	3.0
105.07021	2.1
107.08618	1.4
109.10173	2.1
116.99498	4.4
119.08492	1.6
121.10171	1.4
125.09679	1.5
133.10080	1.0
135.11581	1.1
140.01115	1.4
173.11809	1.5
174.99208	5.3
176.98952	5.5
177.99072	1.2
258.07587	1.3
270.27966	1.4
275.58011	1.0
277.21738	1.7
295.22592	1.8
330.29962	11.7
330.33673	6.4
331.08081	4.7
331.18970	7.2
349.16806	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	330.1093
Annotation	Fluridone
Peak:m/z	Relative Intensity
61.78278	0.3
68.26499	0.3
70.06592	1.7
71.52190	0.4
72.08150	0.7
81.07035	0.6
81.69987	0.3
84.04458	0.5
84.08111	0.9
86.09686	2.3
93.07024	0.3
98.98454	14.8
116.99454	0.3
120.08089	0.5
129.10208	0.4
130.08588	0.9
140.04648	0.3
142.14679	0.3
152.06129	2.5
153.06970	0.3
168.05637	0.4
170.03574	0.4
174.24490	0.3
174.99190	0.6
176.98877	0.7
177.05481	0.3
180.05672	4.4
181.06371	0.7
184.05106	0.5
194.03554	1.9
195.04364	0.3
196.05118	0.9
197.05914	0.5
198.06735	0.8
202.70122	0.3
208.05168	54.3
209.05566	2.1
211.03853	2.5
212.04662	0.9
213.05507	0.6
222.03011	1.4
223.03856	0.3
224.04675	1.8
225.05469	3.3
226.06218	3.5
227.06944	1.6
229.05011	1.2
236.04655	11.4
237.05186	0.3
239.03410	0.5
239.06944	0.8
240.04152	8.8
241.04823	1.0
241.08522	2.0
242.05754	0.3
244.07300	0.8
250.02576	0.5
253.04930	0.8
254.05707	14.0
255.06406	1.4
256.07190	0.3
257.04398	7.0
257.07895	0.6
264.04187	1.7
267.06458	1.1
268.03632	4.6
269.08047	36.9
270.05450	0.4
270.08374	0.9
271.05975	3.3
271.09479	0.8
272.06775	7.8
273.07465	0.7
282.05222	6.4
283.05978	0.7
285.04056	0.4
285.07755	0.5
286.04657	1.5
286.08194	1.0
287.09088	5.3
297.07507	1.2
299.05481	0.9
299.08813	0.5
300.03107	0.5
300.06253	5.2
301.06992	4.6
314.07660	0.6
315.08578	100.0
316.08932	3.1
330.10925	84.4
331.11502	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	329.2681
Annotation	Unknow
Peak:m/z	Relative Intensity
54.13803	0.6
55.05500	1.9
57.07063	1.7
60.15929	0.5
66.69736	0.6
67.05491	1.6
68.99786	1.5
69.07052	2.3
71.53627	0.8
71.54004	0.7
79.05495	1.0
81.07052	2.5
83.08622	1.0
84.76681	0.6
93.07017	1.8
95.08600	1.9
97.10162	1.1
98.98457	100.0
100.98889	0.7
107.08574	1.1
107.64314	0.6
116.99487	4.6
121.10154	2.0
123.11668	0.6
129.01837	5.5
133.58456	0.7
135.11682	2.0
139.00247	1.4
140.01070	2.7
149.13219	0.9
157.01308	1.8
159.95999	0.5
163.14870	0.7
174.99187	7.4
176.98900	3.6
178.83884	0.6
179.28874	0.6
185.08104	1.3
219.20998	3.0
231.60135	0.6
237.22139	1.3
299.05469	1.0
311.25858	0.6
329.10278	1.6
329.58960	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	328.2477
Annotation	Unknow
Peak:m/z	Relative Intensity
54.62902	0.6
55.05500	0.7
56.33805	0.8
65.28748	0.7
65.77093	0.7
67.05499	1.4
69.07062	1.7
69.73334	1.6
69.73744	2.7
79.05515	1.4
79.07822	0.8
81.07043	4.0
91.05468	1.4
93.07026	1.3
95.08571	1.1
98.20853	1.5
98.98457	100.0
105.07028	1.7
107.08578	0.8
109.06507	1.0
116.99497	3.2
119.08573	1.2
119.30892	0.8
147.11705	1.6
150.85960	0.8
174.99208	8.9
176.98958	3.9
252.99883	0.8
254.44228	0.7
275.20026	3.8
293.20981	2.0
328.32047	2.8
329.10260	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	328.2477
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	1.8
62.28878	0.5
67.05505	2.3
69.07063	1.3
70.92386	1.6
79.05494	2.8
81.07060	2.6
83.08625	0.8
91.05466	1.8
93.07012	2.4
95.04940	0.8
95.08595	1.8
96.18663	0.6
97.10152	0.5
98.98457	100.0
100.29433	0.5
100.98889	0.7
105.07036	1.3
107.08591	1.5
109.06478	0.6
109.10137	0.9
114.37848	0.6
116.99482	3.8
119.08551	0.8
121.10168	1.7
125.09611	0.9
133.10066	1.0
140.01053	1.6
154.12234	0.6
165.33353	0.6
173.11790	0.8
174.99231	8.2
176.98918	2.8
189.11247	0.8
190.95444	0.9
209.70898	0.6
252.99669	0.8
275.20166	1.4
328.24890	0.6
329.10205	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	328.2478
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	1.5
67.05502	6.6
69.07059	1.7
70.48579	3.0
71.06189	0.7
79.05493	5.5
81.07037	3.8
82.97672	0.7
83.08617	1.1
85.06600	0.8
91.05495	3.4
93.07031	4.8
95.04954	2.5
95.08606	2.8
98.98459	100.0
105.07033	2.8
107.08598	2.5
109.10139	4.4
116.99496	2.8
119.08568	2.2
121.10110	1.6
131.08531	0.8
133.10115	2.2
135.11659	0.8
137.09616	1.4
145.10123	1.1
147.11728	0.8
159.11713	1.0
167.64987	0.7
172.13370	0.7
173.11775	2.0
174.99178	8.2
176.98897	3.7
252.99734	1.3
275.20035	1.2
338.33588	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.2314
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01606	0.4
51.02378	1.5
53.03946	5.8
55.01843	0.5
55.05498	1.7
57.07061	1.8
57.76081	0.4
58.92414	0.4
67.05506	3.7
69.07062	2.2
71.04995	0.5
71.08614	0.7
71.25919	0.5
72.08135	0.5
77.03571	0.5
77.03959	1.3
79.05479	2.3
81.03424	0.9
81.07045	3.7
83.04961	0.5
83.08618	0.9
85.06536	0.9
91.05487	3.4
93.07040	7.6
95.04961	17.1
95.08605	6.4
96.05272	0.8
97.06516	1.5
98.98460	100.0
105.04521	2.4
105.07019	6.4
107.08580	4.6
109.06510	1.2
109.10143	2.8
111.08001	0.5
116.99506	3.4
117.06995	1.6
118.23767	0.6
119.08575	6.4
121.06493	2.0
121.10145	2.8
123.08056	1.4
123.11703	1.0
129.06969	1.1
130.17950	0.5
131.08618	2.3
133.06506	0.5
133.10109	4.7
135.08073	1.1
135.11688	0.9
137.09595	0.5
140.01064	1.3
141.06955	0.7
141.09741	0.5
142.07790	1.5
143.08571	2.4
145.10123	3.4
147.11671	1.5
148.04320	0.4
149.09564	0.6
152.06204	18.5
153.06989	14.0
154.07460	1.0
155.08549	0.9
156.09288	0.7
157.10147	2.8
159.11655	4.0
161.09601	1.9
161.13297	0.6
168.05698	4.8
169.06444	2.6
169.10141	1.5
170.10678	0.6
171.08066	0.8
171.11702	1.5
173.13257	1.4
174.99222	12.1
175.01570	1.1
175.14812	1.9
181.10202	0.9
181.54532	0.5
183.11597	1.1
185.13289	1.2
187.14798	1.5
197.13220	1.1
199.14757	1.3
202.07869	0.7
207.11832	0.6
209.13269	0.7
211.14792	0.6
213.16310	0.6
215.02545	3.6
225.16351	0.7
227.08463	1.4
228.09290	4.5
229.10149	2.5
233.03593	19.0
234.03929	1.4
251.00227	1.1
251.04657	9.8
252.05092	0.6
274.06372	0.5
309.21994	1.1
314.71732	0.5
327.07785	65.6
327.23199	1.7
328.08139	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	328.2476
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	1.0
55.01859	1.3
55.05501	11.3
67.05495	3.7
69.03419	1.6
69.07061	8.2
70.25637	1.7
70.26039	1.3
70.29440	0.5
70.99533	0.6
79.05489	5.7
80.97378	0.6
81.07040	3.7
83.04951	1.1
83.08605	7.8
91.05467	3.0
93.07032	2.7
95.08596	3.3
97.06503	1.1
97.10155	13.8
98.98454	100.0
100.98888	0.9
105.06987	4.0
107.08575	14.4
109.10176	1.1
111.08051	0.8
116.98759	0.7
116.99481	4.3
117.06973	0.8
117.47552	0.8
119.08539	2.1
125.09615	13.4
130.89099	0.8
133.10114	1.8
135.08063	1.0
135.11705	0.8
140.01028	0.9
142.83931	0.8
145.10175	1.4
147.11617	1.2
148.99445	0.7
149.09579	2.4
171.10164	1.0
174.99168	8.5
176.98943	2.9
179.14282	1.0
181.12257	0.9
189.11197	17.2
190.95534	0.9
196.18782	0.8
257.19025	1.6
275.20047	14.0
286.16525	0.7
293.21198	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	326.1964
Annotation	Unknow
Peak:m/z	Relative Intensity
52.28338	0.8
54.22079	0.7
55.15521	0.8
69.77403	1.4
69.77815	3.5
98.21429	1.4
98.98458	51.5
116.99471	2.5
137.00835	1.5
140.01042	1.2
146.40718	0.7
149.07663	0.8
153.00333	6.9
154.17099	0.7
155.01889	24.1
156.99835	2.7
162.04114	0.8
171.01392	100.0
172.01378	1.6
172.99338	2.7
174.99228	7.3
178.03477	3.0
194.02988	6.6
221.10260	5.2
237.09706	14.8
243.86658	0.7
244.11798	0.8
250.99980	1.0
260.11292	1.1
285.17078	1.6
303.18039	24.2
304.18097	1.0
327.07907	1.3
327.18024	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	327.1433
Annotation	(+)-Macrosphelide C
Peak:m/z	Relative Intensity
52.35539	1.3
53.03931	2.8
55.01852	4.3
55.05506	12.0
55.88901	1.1
57.03428	1.5
57.07053	4.4
59.05001	5.9
65.01652	1.1
65.03938	1.5
67.05498	24.1
68.99779	4.3
69.03423	39.7
69.06682	1.7
69.07060	23.0
69.29051	6.8
69.29483	4.5
71.04996	3.1
79.05482	12.1
79.33459	1.1
81.03414	1.9
81.07050	28.8
82.07405	1.3
83.04977	27.3
83.08617	11.5
85.02904	1.7
85.06546	8.1
87.00819	10.0
87.04450	4.1
91.05472	13.1
93.07034	85.1
95.04975	9.8
95.08598	44.2
97.06531	11.4
98.20682	2.6
98.98457	56.1
99.08084	4.8
101.06013	7.2
103.05461	1.2
105.01862	1.4
105.04531	1.7
105.07010	7.9
107.04944	4.2
107.08575	17.6
109.06506	14.5
109.10137	12.5
111.04421	2.9
111.08079	32.5
113.05993	1.9
115.03911	5.0
115.07553	3.7
116.99504	1.4
117.07008	4.4
119.08558	7.3
121.06484	23.6
121.10123	22.0
123.08060	4.6
123.11703	3.0
125.05993	3.3
127.07552	3.3
129.05476	13.2
129.09096	11.8
129.73311	1.2
131.08588	3.7
133.10121	11.3
135.08037	5.0
135.11674	23.1
137.06007	1.9
137.09592	5.1
139.03899	3.8
139.07529	38.5
143.07039	7.8
144.09344	2.6
145.20007	1.1
149.05965	14.7
149.09590	2.9
149.13246	9.6
151.11168	26.3
157.04889	1.4
157.08589	13.0
159.11684	17.9
159.12880	1.6
163.07513	3.3
163.11203	3.9
165.09090	1.5
167.07051	6.5
171.06512	4.0
174.99258	5.3
177.12732	30.7
185.08177	2.8
188.79753	1.1
195.13779	54.3
196.14198	2.4
205.12189	8.0
223.13260	22.0
241.14316	100.0
242.14647	3.5
266.73099	1.3
309.13303	56.8
310.13690	2.9
327.14386	49.9
328.14764	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	325.2368
Annotation	Annosquamosin G
Peak:m/z	Relative Intensity
55.05490	24.4
56.50334	5.8
65.03923	5.2
67.05497	85.5
69.03421	12.8
69.07046	20.9
70.24204	19.7
71.04977	31.9
73.06544	100.0
79.05481	24.3
79.41921	5.4
81.07052	51.1
83.04964	4.8
83.08614	11.6
83.96576	4.7
85.06516	4.7
91.05470	48.9
93.07027	34.1
95.04955	8.6
95.08591	67.7
97.06520	8.2
97.10149	16.6
105.07033	35.7
107.08579	15.6
109.10136	47.1
117.06987	11.9
119.08573	25.4
121.10119	23.7
123.08039	7.6
125.09595	6.9
129.06953	7.0
131.08527	14.0
133.10109	24.7
135.08026	5.5
135.11720	7.6
137.09593	14.9
145.10069	17.0
147.11685	9.4
149.09558	10.0
155.10617	6.1
159.11653	8.2
163.07494	5.6
163.11154	10.1
173.11717	26.7
173.13029	4.8
177.16299	5.1
190.73419	5.0
197.13200	6.4
218.37476	5.4
239.17918	8.9
257.18918	14.1
275.20038	53.5
293.21176	7.1
307.22632	14.4
325.21219	6.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2736
Annotation	Trixagotriol
Peak:m/z	Relative Intensity
53.03932	5.4
55.01872	4.9
55.05503	35.0
55.63107	2.7
56.96568	7.2
57.03425	10.0
57.07069	20.7
59.04991	4.7
62.66581	2.7
67.05496	32.4
69.03417	9.5
69.07064	83.7
69.56087	24.6
71.05001	7.2
71.08614	12.9
73.17193	3.5
75.65815	2.7
79.05491	20.0
81.03397	3.8
81.07050	100.0
83.04963	13.1
83.08618	28.0
85.02897	9.0
85.06524	10.0
91.05475	22.1
93.07040	70.5
93.25813	3.0
95.04460	3.4
95.04967	20.3
95.08602	84.3
97.02907	3.4
97.06524	13.2
97.10154	14.2
98.97576	12.8
99.04435	6.3
105.07018	33.4
107.04924	5.6
107.08581	38.9
109.06510	13.6
109.10145	49.5
111.08078	36.7
111.11706	11.1
113.05994	5.8
115.07571	3.2
116.98603	9.0
117.06990	4.7
119.08591	17.4
120.08055	3.7
121.06493	5.7
121.10152	33.5
123.08008	6.3
123.11697	40.7
125.09614	12.1
127.03925	3.7
127.07579	4.1
131.08569	4.2
133.10107	18.8
134.99649	3.3
135.08073	4.3
135.11674	25.0
137.05966	6.6
137.09625	5.5
137.13226	13.2
139.11168	10.3
145.10106	9.6
147.11659	10.4
149.01250	3.8
149.09613	7.2
149.13249	21.9
151.11111	4.7
153.12701	9.2
158.99657	4.0
159.11676	11.6
161.13286	7.1
163.11142	7.8
163.14935	3.8
167.10680	3.5
173.13312	4.1
173.21672	3.5
175.14868	6.9
177.00684	3.9
177.16431	5.2
186.03108	3.4
191.02226	5.7
191.17961	5.7
201.05608	3.7
205.06465	7.5
209.18944	7.0
219.01759	3.6
222.06847	8.2
223.20453	4.6
233.05852	3.8
235.20540	6.8
237.09071	6.4
250.06290	9.4
251.06844	3.5
255.58533	3.6
264.07709	4.5
265.08701	7.7
271.24222	4.5
289.25305	10.1
292.07242	6.9
293.08029	14.1
294.08426	3.2
307.09686	10.9
307.26340	10.5
325.10669	16.6
325.21207	3.6
325.27380	32.2
326.11310	3.7
346.85437	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.1391
Annotation	Unknow
Peak:m/z	Relative Intensity
51.29315	0.6
52.09134	0.5
53.03933	1.8
55.01856	1.7
57.03424	2.5
59.44488	0.5
60.70579	0.6
61.02915	0.8
61.25224	0.6
69.03426	13.6
70.06578	0.9
71.01358	0.6
71.04985	4.7
71.44344	1.1
72.08165	0.5
73.02915	0.7
75.04487	0.8
81.03412	16.4
91.05465	1.1
99.04449	6.8
106.54346	0.6
106.96869	0.6
114.95659	0.5
115.85489	0.5
116.05037	0.5
117.05472	1.3
118.06532	5.2
145.06522	1.0
145.07585	6.6
147.09161	6.8
149.77667	0.6
162.07898	1.0
163.03897	1.3
163.08629	0.9
173.05675	1.1
173.07086	10.8
174.07336	0.5
175.08664	5.1
191.08139	100.0
192.08478	1.4
201.05479	0.8
205.06468	0.6
215.11839	0.8
222.06816	0.6
233.09285	1.7
238.43660	0.6
241.95088	0.6
265.08652	1.1
289.11774	1.7
293.08057	1.2
307.09778	1.6
307.12854	33.1
308.13162	0.7
325.10602	1.4
325.13898	23.0
326.14041	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	325.2005
Annotation	Hynapene A
Peak:m/z	Relative Intensity
53.03928	3.5
53.65146	0.9
55.01851	3.4
55.05503	6.8
57.03430	6.0
64.79101	1.0
65.03922	1.2
67.05499	18.8
69.03419	2.3
69.07063	5.2
69.93707	4.9
71.01334	2.2
71.04971	2.7
79.05484	39.2
81.03404	3.6
81.07047	100.0
83.04971	5.3
83.08589	4.1
84.08128	1.0
87.55287	1.1
91.05462	8.4
93.07031	20.1
95.04974	5.6
95.07985	1.1
95.08599	16.5
97.06515	1.6
97.10172	2.3
99.08028	1.0
100.21398	0.9
102.90742	1.0
105.07031	6.4
107.04941	2.2
107.08580	7.9
109.06506	63.7
109.10139	4.5
111.08069	9.5
117.07025	1.6
119.08549	4.5
121.06478	2.7
121.10132	22.3
123.08050	9.9
123.11685	1.5
125.09606	2.7
131.08542	5.1
133.10091	4.7
135.08005	3.5
135.11636	1.2
137.09584	2.1
139.07477	1.7
139.11160	4.9
141.09096	4.1
145.10118	1.2
147.11656	1.0
149.05923	1.9
149.09596	5.6
151.07520	1.9
151.11143	2.2
153.09058	1.8
157.10083	1.1
159.08067	1.6
159.11716	1.4
161.09561	2.8
167.10637	9.7
177.09062	1.2
179.10606	2.1
197.11662	1.1
201.72533	1.2
225.16275	1.0
233.19073	1.2
243.17424	2.2
261.18433	3.9
271.16763	2.3
283.90149	1.0
289.17892	8.2
307.19141	1.4
325.20078	14.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.128
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	4.0
57.47174	3.1
67.05500	7.6
68.07601	3.0
69.07064	3.4
70.58150	4.9
70.58492	6.6
70.84374	3.4
73.14461	3.0
79.05497	10.5
81.07052	15.0
91.05480	39.8
93.07033	35.7
95.04936	7.7
95.08602	4.7
97.50040	3.1
105.07022	24.4
107.08575	29.7
109.06506	11.3
109.10169	6.2
117.50995	3.4
119.04922	22.5
119.08576	18.1
121.06486	20.7
121.10121	5.9
123.08081	20.6
123.11715	5.6
131.08534	3.3
132.45386	3.0
133.06494	7.1
133.09131	4.0
133.10120	71.1
135.11688	6.7
137.05968	6.1
137.09607	7.5
138.10370	4.3
142.07825	4.1
146.07191	4.1
147.04399	35.3
147.11688	13.6
157.10136	35.0
159.11713	11.7
160.08849	9.8
161.05969	9.7
161.09613	44.1
165.05453	28.4
175.07661	3.0
175.11174	100.0
179.10638	47.6
185.09514	3.5
188.08302	4.8
193.12175	5.2
203.10641	31.1
207.37360	3.4
221.11714	31.9
244.31993	3.2
249.57516	3.1
268.83386	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.1126
Annotation	Unknow
Peak:m/z	Relative Intensity
52.73910	1.7
53.03946	3.1
55.01862	3.9
55.70765	2.0
57.03425	4.8
61.02914	8.4
67.45601	2.0
69.03425	19.8
70.06566	5.6
70.06976	9.1
70.85888	2.5
71.04974	4.4
72.08129	2.9
72.47796	2.1
73.02899	3.7
74.45592	1.9
81.03412	6.8
84.08112	3.2
85.02898	100.0
86.09698	3.7
87.04433	2.1
91.03963	4.5
91.05493	2.8
97.02879	18.0
98.20808	2.4
99.04446	6.8
109.02866	8.7
127.03912	22.0
145.04944	29.2
147.09145	2.5
163.03915	3.1
163.06029	7.8
173.06985	2.6
191.08119	12.5
212.44516	1.8
215.65982	2.0
257.94525	2.2
289.94397	2.0
293.08151	2.1
307.12885	6.1
325.14282	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	325.1276
Annotation	Unknow
Peak:m/z	Relative Intensity
51.26366	2.1
53.03940	3.3
55.01851	3.5
55.05498	11.7
55.18061	1.8
57.03423	3.1
59.05001	1.7
65.98063	1.8
67.05507	11.1
69.03429	12.2
69.07059	13.3
70.06579	4.1
71.04967	3.3
71.09722	2.0
71.10059	3.8
72.08116	2.4
78.87429	1.8
79.05488	12.3
81.03403	6.5
81.07048	24.9
83.04493	2.8
83.04971	43.0
83.08630	2.1
84.08116	3.2
85.02895	16.5
85.06539	3.8
86.09694	4.4
91.05463	26.7
93.07037	31.0
95.01310	2.7
95.04951	5.9
95.08604	11.7
97.02866	4.2
97.06519	3.5
99.04437	4.7
99.08089	11.7
100.11254	11.6
103.03946	2.9
103.05452	2.9
105.07014	30.8
107.04952	4.6
107.08587	24.8
109.02859	3.8
109.06482	7.5
109.10148	11.2
111.04413	7.6
111.08070	7.3
115.05435	4.5
117.07020	5.3
119.04935	14.1
119.08564	23.2
120.08110	4.7
121.06485	14.4
121.10125	7.1
123.04366	2.5
123.08080	2.2
123.11689	6.6
127.03931	5.4
127.11230	1.9
129.05481	2.3
129.07018	3.5
131.08522	7.3
133.02792	2.1
133.06464	8.3
133.10114	42.4
135.08063	13.1
136.08832	10.1
137.05981	30.7
139.11156	5.1
141.07001	2.3
141.12746	2.6
142.07756	8.2
143.08551	4.2
144.09334	3.6
145.02852	2.3
145.04866	2.7
145.06468	6.8
147.04391	7.0
147.08081	5.7
147.11678	21.6
149.05980	2.1
149.09610	13.5
149.13223	2.0
151.07555	2.8
151.11130	2.1
153.09052	2.3
157.10110	14.3
159.08061	3.6
159.11649	6.1
160.08791	11.2
161.06004	3.6
161.09598	45.9
163.03848	3.6
163.07480	5.7
163.11099	2.8
165.05550	9.4
169.06497	3.7
169.24998	2.1
174.06593	2.8
175.07559	12.4
175.11154	57.7
175.14804	1.7
177.05487	2.7
177.06969	3.1
179.10623	2.4
182.15440	2.0
185.09613	2.4
188.08279	6.6
193.12256	7.0
194.07266	2.5
201.05438	5.8
203.10646	36.2
205.06459	7.8
209.16405	6.2
211.07962	2.4
221.05930	3.5
221.11707	100.0
222.06717	3.3
222.12271	2.4
227.48473	1.9
231.23418	2.1
233.05974	2.9
237.09041	4.2
246.14935	2.2
249.05389	5.0
250.06189	7.9
265.08606	9.4
278.05664	3.7
292.07251	6.9
293.08087	11.2
293.10916	2.5
297.11179	4.4
307.09619	8.5
307.25943	2.1
310.08255	3.9
325.10367	11.3
325.14389	4.0
325.29767	5.1
326.06830	2.1
326.11203	2.3
326.27884	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	325.1128
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.7
55.01867	2.0
57.03434	5.7
57.84877	1.6
61.02924	10.2
69.03438	18.2
70.06583	5.3
71.04991	2.3
71.27565	4.9
72.08126	3.8
73.02898	6.0
81.03413	8.2
84.08135	5.6
85.02902	100.0
85.23518	1.9
86.09708	3.3
91.03955	2.0
91.05489	2.8
97.02885	20.7
99.04437	4.5
109.02887	6.3
122.06037	1.7
127.03915	20.2
133.02823	3.4
134.72185	1.8
136.07597	4.4
145.04951	25.3
147.09167	2.8
163.03893	4.1
163.05988	5.1
164.06996	2.2
173.07082	2.5
175.08679	2.3
191.08134	12.8
220.46840	2.0
286.51529	1.9
307.12912	6.6
325.14032	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	325.1125
Annotation	D-Fructofuranose 1,2':2,3'-dianhydride
Peak:m/z	Relative Intensity
53.03936	1.4
55.01619	0.3
55.01860	2.2
55.05507	0.5
55.98757	0.4
56.05027	0.5
57.03429	5.4
57.77665	0.3
59.04971	0.4
59.84169	0.4
61.02918	8.8
61.85612	0.4
69.03426	16.3
69.37818	3.2
70.06583	1.6
71.01337	0.6
71.04982	1.6
73.02905	4.0
79.05489	0.4
81.03413	6.2
81.07043	0.7
84.04459	0.4
84.08142	0.5
85.02895	100.0
86.03247	1.1
86.09709	0.4
87.04475	1.8
87.66478	0.3
90.62418	0.3
91.03944	4.4
91.05482	2.0
93.07039	0.4
95.08604	0.4
97.02880	20.5
98.06058	0.3
99.04448	3.5
101.02394	0.5
103.03912	0.6
105.03384	1.0
105.07056	0.4
107.08620	0.5
109.02863	8.3
115.03948	1.2
120.08092	0.4
124.18957	0.4
127.03901	22.8
129.10260	0.4
133.10146	0.4
135.04454	0.4
137.05927	0.4
145.04944	26.0
156.07661	0.3
161.06035	0.5
163.03896	2.5
163.06021	5.3
163.07443	0.7
164.07137	0.5
165.07108	0.4
175.03975	0.4
201.05476	0.7
205.06569	0.7
213.57326	0.4
220.09802	0.4
223.04549	0.4
233.06078	0.7
250.06259	0.5
265.08636	0.5
277.04877	0.4
292.07581	0.5
293.08005	0.8
307.09531	0.9
325.10803	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.1125
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	1.3
55.01861	1.9
55.05511	2.9
57.03431	5.5
57.07080	1.0
61.02920	8.4
62.97170	0.6
65.83054	0.6
67.05489	2.5
69.03423	15.5
69.07066	5.7
69.93096	2.1
70.03736	0.6
71.04991	2.5
73.02916	3.6
79.05454	1.5
81.03415	5.9
81.07046	6.4
81.45168	0.6
83.04971	2.0
83.08569	1.5
85.02898	100.0
85.06557	1.2
86.03252	0.9
87.04464	2.3
91.03951	4.1
91.05468	1.5
93.07031	4.4
95.04972	1.8
95.08597	6.3
97.02885	19.0
97.06519	0.7
99.03873	0.7
99.04425	3.8
101.02383	1.0
103.03883	1.0
105.07037	1.7
107.08595	2.9
109.02875	9.2
109.06546	0.8
109.10152	3.3
111.08084	2.3
111.11718	0.7
113.06001	1.0
115.03946	1.3
119.08538	0.9
121.06503	0.8
121.10118	1.7
123.11701	2.2
127.03902	19.2
133.10123	1.3
135.11665	1.4
137.13268	0.8
145.04947	26.5
149.13260	1.0
163.05995	5.2
175.14790	0.6
204.60410	0.6
218.50269	0.7
265.08701	0.8
293.08099	0.8
307.26746	0.8
325.10739	1.1
325.27448	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.2578
Annotation	12S-HETrE
Peak:m/z	Relative Intensity
52.69478	3.4
53.03939	5.5
55.01858	9.2
55.05504	37.3
56.38868	3.5
57.07069	43.2
57.31947	4.3
59.05001	3.3
64.06001	3.7
66.91741	4.0
67.05505	30.5
67.32794	3.1
69.03416	8.6
69.07062	97.1
69.26093	26.4
69.26510	10.7
71.04987	6.2
71.08629	28.6
73.32341	4.2
79.05479	20.4
81.07045	84.5
83.04970	6.7
83.08612	59.1
85.02901	16.0
85.06548	4.3
85.10191	7.7
91.05468	19.5
93.07031	46.0
95.04964	16.2
95.08597	100.0
97.06538	14.4
97.10147	23.8
98.97565	9.7
99.04445	6.3
103.05437	4.0
105.07011	32.7
107.08576	48.7
109.06516	11.7
109.10143	60.3
111.04436	22.6
111.08060	41.6
111.11736	9.4
113.02372	14.7
113.05963	5.2
115.03916	7.3
116.98617	8.6
119.08538	24.6
121.06499	9.1
121.10134	32.6
121.55154	3.6
123.08105	4.1
123.11700	33.9
125.05968	19.5
125.09618	9.0
125.13290	6.2
131.00296	3.5
131.08559	6.2
133.10127	33.1
134.99660	3.6
135.08057	9.5
135.11671	14.4
137.09602	41.8
137.13263	10.8
139.11176	12.9
145.10124	6.2
145.57689	3.9
147.11685	19.2
149.09654	5.7
149.13228	16.5
151.11214	7.7
151.14867	4.4
153.09128	8.0
159.11630	4.3
161.09654	23.1
161.13289	10.9
163.11140	6.4
163.14877	6.4
165.09135	15.4
167.10732	17.9
175.11147	5.3
175.14854	10.3
177.05472	6.7
177.12761	7.4
177.16463	4.6
179.10693	12.5
181.12358	4.3
183.10109	4.8
185.13214	4.1
189.16365	9.4
191.02234	5.2
193.12251	10.0
193.19479	8.9
223.17055	5.1
231.17450	5.2
245.22571	7.0
249.18452	6.2
259.24179	10.2
269.22708	4.1
277.25253	5.9
287.23651	8.8
305.24652	39.3
323.12442	4.2
323.25842	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	323.1598
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.0
54.82864	0.3
67.05518	0.4
71.44146	0.6
74.37727	0.3
77.03925	0.7
80.53271	0.4
81.07042	1.1
86.09690	0.6
91.05466	2.5
93.05788	0.6
93.07040	2.9
95.04967	1.2
96.08134	0.8
97.18855	0.4
102.88954	0.3
103.17266	0.3
105.04482	0.4
108.08111	1.5
110.06032	1.2
117.03386	0.7
117.20663	0.3
122.06023	1.2
124.07581	8.2
126.05515	1.2
136.07564	100.0
137.07935	0.9
138.09044	0.5
140.07072	1.5
142.08614	10.5
145.02815	1.3
146.08481	0.3
150.05473	0.7
152.07056	3.2
154.08612	51.5
156.10176	1.1
164.07051	55.6
165.07431	0.8
166.08565	0.3
170.08153	2.7
177.05449	2.2
182.08113	17.9
255.84204	0.4
259.72943	0.4
305.15024	2.3
323.15906	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	323.1598
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03920	1.2
55.05487	1.4
57.87885	1.0
64.69616	0.9
65.74754	0.9
67.05487	4.2
69.03415	2.0
69.07045	2.4
70.06587	6.7
71.04984	0.9
71.13342	2.7
72.08143	2.3
79.05473	2.4
81.07039	4.2
82.16556	0.9
83.04943	1.7
84.04476	1.6
84.08116	3.5
84.38847	1.1
86.09699	7.4
89.03892	1.3
91.05449	4.7
91.78224	1.0
93.07027	3.0
94.06546	1.8
95.04977	2.5
95.08598	1.8
96.08124	2.9
97.06503	3.7
101.72573	1.1
105.07005	2.8
107.08526	1.0
108.04469	2.5
108.08096	4.2
109.02873	0.9
109.05228	2.8
109.06497	1.8
109.10109	1.1
110.06021	3.1
111.08034	1.3
115.05409	1.1
117.03388	5.1
119.04895	1.4
119.08595	1.1
120.08075	3.6
121.08443	1.9
121.10143	1.2
122.06023	22.1
123.11677	1.6
124.07581	20.8
126.05511	1.3
129.10266	1.2
131.08560	1.2
136.07567	80.9
137.05936	2.0
137.08310	3.0
138.09116	11.1
139.07603	1.1
140.07036	4.9
145.02837	10.1
148.07610	1.3
149.05928	2.5
150.05475	13.8
151.06258	2.2
152.07077	10.5
152.87474	1.0
154.08618	15.7
157.06284	1.0
161.05988	2.3
162.05493	1.1
164.07056	100.0
165.07437	1.9
166.08676	1.9
168.06555	5.9
170.08107	3.5
174.09190	5.0
177.05453	19.3
177.10321	1.1
178.05746	1.7
178.10420	1.0
182.08122	17.1
188.10631	1.8
200.10706	1.7
203.08423	2.5
213.10182	1.2
214.12370	1.6
216.10338	2.4
219.08047	1.1
227.11728	2.8
230.10497	2.2
231.07959	1.4
231.75354	1.0
242.11858	2.1
243.11285	1.3
245.12856	2.5
248.08362	1.6
259.07602	1.9
259.14386	4.5
260.12872	1.1
263.10550	1.5
269.12833	1.9
278.13657	1.4
287.13889	49.1
291.10086	3.4
305.11758	1.8
305.14948	23.2
306.10031	1.4
306.13287	2.0
323.09085	1.8
323.12430	10.1
323.16064	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.1119
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.2
55.01846	1.1
55.05504	5.6
57.03435	0.6
57.07066	2.0
59.15434	0.5
62.92930	0.5
65.03931	0.7
67.05497	7.9
69.03424	4.9
69.07063	10.3
70.92271	0.6
70.92603	1.3
71.04980	2.6
71.08608	1.2
78.81961	0.5
79.05492	5.5
80.07959	0.5
81.03405	1.8
81.06593	1.2
81.07047	19.8
82.92371	0.6
83.04977	6.8
83.08607	3.0
84.08141	0.6
85.02895	2.6
85.06536	1.6
86.09727	1.3
88.37327	0.5
89.03905	5.8
91.05462	4.7
93.07033	10.5
95.04958	7.3
95.08601	12.8
97.06512	2.3
97.10139	1.8
99.04440	1.7
105.03380	1.5
105.07009	6.8
107.04953	0.9
107.08575	6.8
109.06525	5.1
109.10143	7.0
111.04448	2.7
111.08070	1.9
111.11662	0.8
113.05994	1.3
116.48386	0.6
117.03366	22.3
117.06944	1.0
118.63693	0.5
119.08579	5.0
121.06481	1.2
121.10138	6.4
122.06013	0.6
123.08054	1.1
123.11700	7.4
125.05980	0.8
125.09592	1.4
131.08600	0.9
133.10123	2.9
134.03624	1.1
135.04413	1.4
135.08038	0.9
135.11697	3.2
137.05963	5.0
137.09584	1.6
137.13222	2.5
139.11176	2.5
142.07732	0.5
143.08604	1.0
145.02831	55.0
145.10127	2.0
146.03133	1.2
147.11652	2.4
149.05959	7.5
149.09605	1.0
149.13226	2.9
150.10037	0.5
157.10124	1.0
159.11665	2.1
161.05977	1.9
161.13261	1.6
162.03122	0.6
163.03865	0.7
163.11115	0.9
166.14934	0.6
167.10580	0.8
167.33052	0.5
173.13269	1.2
175.14812	0.9
177.05455	100.0
177.16350	0.8
178.05807	3.1
186.05527	1.6
187.14763	0.8
199.07390	0.8
199.14655	0.7
213.16397	0.7
231.06395	1.3
247.06001	0.8
269.22772	0.6
287.23602	1.2
291.10043	1.9
305.10236	2.3
305.14862	1.0
305.24667	2.0
317.06842	0.9
323.12463	2.0
323.15988	0.9
323.25677	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.1123
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	0.3
55.05511	1.6
57.07066	0.2
59.15899	0.3
63.02360	0.5
67.00127	0.2
67.05503	1.0
69.03412	0.5
69.07064	2.3
69.52203	1.9
71.05013	0.4
75.36268	0.2
78.04712	0.5
79.05482	0.7
81.03422	0.3
81.07045	3.0
81.31577	0.2
82.31548	0.2
83.04974	3.7
83.08627	0.4
84.08154	0.3
85.02894	0.3
85.06512	0.4
89.03906	9.3
91.05458	1.5
91.56406	0.2
93.07053	2.1
95.04964	1.3
95.08595	1.9
97.06520	0.6
98.20753	0.3
99.04399	0.3
99.08099	0.3
103.05479	0.6
105.07041	1.2
106.04141	0.8
107.08614	1.4
109.06519	0.6
109.10143	1.4
111.04446	1.1
111.08070	0.4
117.03373	26.3
118.03702	0.6
119.04876	0.4
119.08562	1.5
121.10134	1.1
123.11676	1.1
124.05180	0.3
125.09676	0.4
127.07544	0.3
129.04576	0.3
129.05472	0.5
131.08534	0.3
133.10115	0.6
134.03604	2.3
135.04420	2.2
135.11679	0.4
137.05959	0.8
137.13229	0.3
139.11176	0.8
145.02835	59.3
145.10052	0.6
146.03163	1.1
147.11702	0.5
149.05972	10.0
149.13278	0.5
158.06059	0.3
159.11661	0.5
161.05974	1.0
161.13210	0.4
162.03110	0.4
163.03845	0.5
163.11256	0.2
177.05458	100.0
178.05779	2.5
186.05450	1.3
195.06473	0.6
199.07562	0.3
202.07681	0.3
203.08614	0.4
220.08566	0.3
231.07977	0.7
248.08298	0.6
259.07516	0.7
263.10660	0.3
276.07782	0.3
291.10135	1.2
305.24579	0.4
323.05167	0.4
323.11960	1.5
323.25754	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.112
Annotation	Unknow
Peak:m/z	Relative Intensity
54.04822	0.4
54.73710	0.4
55.01843	0.5
55.05502	1.3
63.02368	0.4
67.05484	1.1
69.03419	0.4
69.07055	1.6
69.98583	2.2
71.04996	0.8
79.05494	0.8
81.07058	2.4
83.04967	2.1
85.02908	0.8
89.03905	6.0
91.05471	0.8
93.07035	1.1
95.04944	0.9
95.08579	1.0
105.07040	1.2
107.08565	0.7
109.06506	0.6
109.10138	0.7
111.04441	2.1
111.08078	0.9
117.03370	21.6
119.08585	0.6
121.10150	0.9
123.11684	1.5
125.24274	0.4
133.10143	0.5
134.03662	1.1
135.04401	1.0
135.11703	0.4
137.05980	3.9
137.13181	0.9
139.11160	0.7
140.07091	0.5
145.02827	58.0
145.10191	0.5
146.03209	1.2
149.05960	8.9
163.03833	0.6
177.05450	100.0
178.05780	1.9
180.61098	0.4
181.69624	0.4
182.07083	0.4
186.05426	1.0
191.06918	0.5
228.56999	0.5
231.06477	3.2
247.05940	1.7
305.10168	3.4
305.24808	0.5
323.11395	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.0735
Annotation	Unknow
Peak:m/z	Relative Intensity
53.87994	8.6
63.80442	8.5
69.52711	62.2
85.33652	8.0
93.64288	8.1
105.85694	8.9
113.12393	7.8
143.01875	20.4
161.02919	22.4
173.02930	11.6
173.85823	7.8
203.03998	18.0
243.82758	9.5
323.07349	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.2421
Annotation	11,12-EpETrE
Peak:m/z	Relative Intensity
51.37218	1.6
53.03936	3.5
55.01860	8.6
55.05505	19.6
57.03423	1.8
57.07073	13.0
58.28477	1.7
66.12735	1.5
66.49076	1.6
67.01849	4.7
67.05498	38.5
69.03417	18.4
69.07060	53.8
69.99255	3.5
69.99662	6.2
71.04986	6.1
71.08600	3.7
74.66947	1.6
79.05484	25.2
81.03416	9.0
81.07050	100.0
83.04969	6.8
83.08613	20.4
83.88731	1.7
85.02882	3.2
85.06529	3.7
91.05464	21.4
93.07037	44.8
95.04950	19.9
95.08598	77.9
97.02888	2.3
97.06520	17.4
97.10149	10.5
99.04437	3.7
99.08078	7.2
105.07023	33.6
107.04971	2.1
107.08580	67.7
107.09309	3.5
109.02833	2.0
109.06509	14.6
109.10139	63.2
111.04427	18.6
111.08061	6.8
111.11711	3.6
113.02390	2.9
115.03948	2.8
117.03409	2.8
117.06981	5.7
119.08571	34.7
121.06484	7.7
121.10131	39.3
123.04432	3.1
123.08067	6.2
123.11690	42.7
125.05958	18.6
125.09624	5.6
125.13254	2.4
129.07008	2.5
131.08557	11.2
133.10120	28.0
135.08051	13.3
135.11668	33.0
137.09589	14.8
137.13223	21.7
139.07529	3.1
139.11183	27.8
143.08488	3.2
145.02834	4.5
145.10100	14.3
147.08005	3.4
147.11664	22.0
149.09641	7.6
149.13249	15.2
150.57614	1.9
151.07449	2.8
151.11118	5.6
153.09042	5.7
153.12790	2.0
157.10103	6.3
159.11685	16.2
161.09610	5.4
161.13266	9.2
163.07558	2.3
163.11147	7.5
163.14833	3.8
165.09073	5.3
165.12743	5.6
167.10648	6.3
173.09683	3.6
173.13258	8.9
175.11212	5.3
175.14786	7.4
177.05476	13.6
177.12675	4.9
177.16365	6.8
179.10660	5.7
179.14262	1.8
181.12195	4.0
185.13205	2.1
187.11136	2.0
187.14789	9.1
189.12730	3.1
189.16371	5.3
191.10698	3.1
191.17955	7.8
193.12195	9.8
195.17438	4.8
201.16418	5.5
203.14249	1.8
205.15758	1.9
207.13876	3.0
207.17426	1.9
215.14319	3.8
221.15465	2.0
223.16937	4.3
229.15910	4.9
233.15356	2.6
235.17024	4.1
243.21062	5.7
247.16957	7.1
257.22653	7.7
261.14841	3.8
267.21118	5.0
275.23657	4.4
285.12131	2.3
285.22083	8.0
303.23096	30.0
321.06958	4.3
321.09866	8.3
321.20734	3.1
321.24261	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	321.2422
Annotation	11,12-EpETrE
Peak:m/z	Relative Intensity
53.03937	5.1
55.01863	6.3
55.05509	25.1
57.03430	2.8
57.07064	9.2
59.05002	2.1
67.01849	3.9
67.05500	33.2
69.03429	15.2
69.07063	42.6
69.71037	5.0
69.71448	5.3
70.06595	2.3
71.04978	5.4
71.08602	2.2
79.05485	21.3
81.03410	11.1
81.07050	100.0
83.04971	6.2
83.08607	14.7
85.02897	2.7
85.06533	7.4
87.04435	2.4
87.08132	2.0
91.05471	15.7
93.06486	2.8
93.07040	42.2
95.04964	19.7
95.08601	71.5
96.08900	1.9
96.72746	1.8
97.02923	2.5
97.05981	1.5
97.06525	12.9
97.10152	11.5
98.20828	2.5
99.04436	2.9
99.08069	5.8
105.06390	2.9
105.07033	30.6
107.08580	48.0
107.97847	1.9
109.02915	2.7
109.06513	14.0
109.10155	57.0
111.04453	10.6
111.08069	10.5
111.11716	5.6
113.02396	2.4
113.09585	2.3
115.87508	1.8
116.98540	1.7
117.03363	2.2
117.07007	5.2
119.08567	23.7
120.08080	2.4
121.06500	6.5
121.10137	36.1
123.08050	5.8
123.11693	36.6
124.07606	1.6
125.05968	14.1
125.09626	6.0
127.07551	3.5
127.11176	2.8
131.08582	8.2
133.10106	20.7
135.08063	12.6
135.11688	24.2
137.09605	17.0
137.13226	17.8
138.09163	2.0
139.07538	2.9
139.11174	23.1
143.08496	3.1
145.02832	6.5
145.10086	12.8
147.08060	2.1
147.11664	14.8
149.09604	7.5
149.13290	12.5
151.07550	3.4
151.11150	5.3
151.14755	2.9
153.09079	6.6
153.12689	2.1
155.08571	2.3
157.10115	3.8
159.08044	2.7
159.11696	11.5
161.09610	5.6
161.13243	6.7
163.11182	7.4
163.14932	3.9
165.09131	5.5
165.12724	6.1
167.10663	6.7
169.10133	2.5
171.11642	2.8
173.13225	7.4
175.11214	4.7
175.14845	7.0
177.05415	10.8
177.12791	5.9
177.16411	3.5
179.10614	5.7
181.12152	2.9
183.11740	2.4
185.11867	1.9
187.14851	8.5
189.12733	2.2
189.16403	5.0
191.17972	5.3
193.12282	4.4
193.15819	2.1
197.13332	2.0
199.14818	2.6
200.47940	2.4
201.16341	5.8
203.18031	3.1
205.15837	4.0
207.13954	2.8
211.14899	3.2
212.73901	2.1
223.16829	2.1
225.16396	1.8
229.15930	3.6
243.11281	2.0
243.21129	3.6
247.16957	6.4
257.22668	4.6
261.09146	3.6
263.38431	1.7
267.21039	2.6
275.23715	3.0
285.22137	11.0
289.08536	5.1
303.13406	4.0
303.23108	32.7
306.08722	2.8
321.09970	13.7
321.14383	3.5
321.24252	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	321.1808
Annotation	Unknow
Peak:m/z	Relative Intensity
54.72942	1.9
55.01862	2.6
55.05505	10.4
56.96566	11.3
57.07058	2.6
57.31052	1.9
67.01861	8.6
67.05504	15.2
69.03419	6.5
69.07059	15.6
69.35783	2.0
69.36070	20.9
69.65258	2.3
70.06595	3.1
71.04973	4.0
77.03920	2.2
79.05478	6.9
81.03426	5.0
81.07053	33.7
83.04964	7.3
83.08604	6.4
84.96024	5.2
85.02893	2.3
85.06525	3.7
86.09705	96.7
86.82861	2.0
91.05466	9.2
93.07040	19.6
95.04961	12.5
95.08600	21.6
97.06525	7.9
97.10171	3.2
98.97570	36.0
99.08057	2.6
103.05476	5.7
105.07026	13.7
107.08583	19.4
109.02846	2.8
109.06514	11.3
109.10141	16.3
110.97545	10.8
111.04469	3.7
111.08061	6.8
116.98624	23.7
117.07008	2.5
119.08575	10.8
120.08104	100.0
121.06508	6.7
121.08427	3.9
121.10116	19.5
123.08057	4.8
123.11690	16.5
125.05981	6.9
125.09588	3.7
128.09801	3.7
128.10713	51.4
128.98592	20.4
131.00159	2.8
131.04916	2.4
131.08582	4.1
133.10117	9.1
134.99646	7.8
135.08057	4.3
135.11694	9.6
137.09579	10.2
137.13237	2.4
139.11180	5.0
143.00151	2.5
145.02826	3.1
145.10135	5.2
146.99634	13.7
147.11684	7.5
149.05972	4.2
149.09628	4.5
149.13239	3.1
151.07437	2.2
153.09019	3.7
156.10229	12.4
158.99649	4.0
159.11681	4.0
161.01186	4.4
161.13223	3.0
165.09102	5.0
165.12827	2.6
166.08638	55.8
170.99638	2.4
171.11688	3.0
173.13216	3.5
175.14810	2.4
177.00725	6.5
177.05466	5.2
179.10696	2.7
182.15607	2.1
187.14812	3.2
187.26642	2.3
189.00752	6.7
193.04456	2.2
194.99716	3.4
201.00655	3.3
201.68828	2.0
207.01924	3.4
211.14871	3.2
213.00737	3.8
218.75508	2.3
219.01761	36.0
237.02806	88.8
238.03284	2.9
242.03427	4.1
247.09641	2.9
255.03874	6.5
260.04584	10.1
261.02744	17.4
275.23639	2.4
279.03882	49.5
285.22186	3.4
288.66367	2.3
289.08435	3.6
302.05511	7.8
303.23190	8.9
321.09546	17.2
321.24179	10.3
322.25778	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	321.1692
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	3.7
55.01864	3.2
55.05509	7.0
57.03432	1.4
57.07079	2.3
59.44478	0.9
65.03909	1.1
67.01849	2.4
67.05501	13.5
69.03424	52.1
69.07070	14.2
69.80126	5.3
70.06599	1.1
71.04990	6.6
72.85268	1.1
77.03914	1.2
79.05479	12.8
81.03416	21.1
81.07050	36.9
83.04996	5.5
83.08614	2.2
83.80986	0.9
85.02904	3.0
85.06541	1.9
86.09715	1.4
87.04475	1.0
91.05475	20.4
93.07039	71.8
95.04969	15.0
95.08602	25.5
97.02889	2.3
97.06540	3.7
97.10149	2.1
99.04446	2.1
103.05444	2.4
105.07027	35.9
107.04954	3.6
107.08585	100.0
108.08918	1.3
109.02879	3.0
109.06504	8.8
109.10155	14.8
111.04424	5.7
111.08060	2.0
111.11704	1.7
113.05978	1.3
115.05438	1.2
115.18987	0.8
117.03458	1.2
117.06983	5.7
119.04873	1.3
119.08571	18.8
121.06507	4.3
121.10136	14.5
123.08065	16.0
123.11698	13.2
125.05992	2.9
125.09595	1.7
126.09145	1.1
127.03931	3.5
129.06987	3.1
130.07784	1.6
131.04970	2.4
131.08586	6.3
133.06487	3.7
133.10127	15.8
135.08054	10.8
135.11682	59.3
136.03922	6.1
136.07549	0.9
137.06035	2.3
137.09641	5.0
137.13245	3.5
139.07530	1.8
139.11182	3.3
140.07066	1.0
142.07770	3.2
143.08537	3.5
145.02846	2.9
145.05042	1.0
145.06558	1.2
145.10104	19.1
147.08060	2.6
147.11671	15.8
147.16867	1.1
149.06001	1.8
149.09628	3.5
149.13252	3.7
151.07597	1.7
151.11218	2.2
152.07120	2.6
153.05440	1.1
153.09111	2.3
155.08517	1.9
157.10094	5.7
159.08107	2.7
159.11659	4.4
160.77315	1.2
161.09647	3.1
161.13245	1.6
163.11177	34.5
163.14853	1.9
165.09116	2.7
165.12749	9.2
167.07086	1.2
167.10683	1.1
173.09520	1.1
173.13216	1.9
174.96893	1.2
175.11168	9.2
175.14856	3.0
177.05505	4.4
177.12689	2.0
178.04970	10.1
179.10670	2.3
185.13333	1.4
187.11243	1.1
187.14816	1.4
189.12796	1.0
189.16475	1.1
193.12238	20.8
196.06021	6.9
199.11238	1.5
201.12766	1.7
201.16338	2.2
203.17786	1.3
210.78140	1.0
215.14322	3.5
217.12253	1.5
225.12700	1.2
233.15408	1.7
243.11412	1.2
243.13829	4.2
261.14853	64.5
262.15182	1.2
278.09598	1.0
285.22098	1.9
289.08539	1.1
302.74561	1.0
303.13397	4.0
303.23077	4.7
321.06891	1.6
321.10318	3.6
321.17020	17.3
321.24258	6.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.1442
Annotation	Formylfusarochromanone
Peak:m/z	Relative Intensity
52.54419	0.6
54.53992	0.7
55.05539	0.8
66.31428	0.8
67.01929	1.0
67.05565	2.8
69.03458	1.5
69.07099	1.3
70.06629	1.3
72.08169	1.1
79.05520	1.8
81.03464	2.4
81.07069	1.7
82.06595	0.9
84.04540	1.0
85.06578	0.9
86.09736	1.0
91.05548	2.4
93.07056	1.9
94.06635	2.3
95.05017	0.9
95.08659	1.3
97.06598	2.7
98.20715	1.8
98.97646	1.9
105.07067	1.6
106.06622	0.9
107.08613	1.6
108.04534	1.6
108.08135	1.1
109.06574	1.2
110.06090	3.4
110.97615	0.9
117.03408	1.3
120.08124	1.6
121.10202	1.5
121.73496	0.6
122.06017	7.4
124.07631	1.5
125.09677	0.8
128.06326	0.8
128.98601	0.9
130.06509	0.9
131.08598	0.9
133.10172	0.9
134.06099	1.1
135.07974	0.8
136.07574	7.1
140.07104	1.4
144.08151	0.8
145.02960	3.1
146.06114	1.2
147.11703	1.1
148.53630	0.9
150.05569	3.0
152.07137	3.3
154.08643	3.8
156.08150	1.3
157.08905	1.5
157.10103	0.9
158.06056	0.8
160.07645	1.6
161.07152	1.7
164.07155	2.2
168.06573	0.7
170.09666	6.1
172.07610	2.8
172.11276	2.2
174.09186	1.3
174.12788	0.8
175.08742	2.1
177.05457	4.4
179.08240	1.0
180.06604	1.7
184.07597	1.6
184.11296	1.3
186.09171	4.5
186.11525	1.0
187.08684	1.6
187.12274	8.2
188.07079	1.5
189.10364	1.5
189.16544	1.0
194.09792	1.0
198.09131	24.5
198.10936	1.3
199.09990	1.5
200.09401	2.8
200.10765	3.7
201.10274	1.8
202.08716	2.1
203.11732	0.9
212.06987	0.8
212.10654	3.9
213.10255	1.4
214.08801	1.5
215.08235	4.9
215.11783	18.4
216.10208	3.6
216.12152	0.9
217.09712	1.7
218.54588	0.7
219.01755	1.1
226.08614	6.0
227.08150	1.0
227.11723	1.1
228.10239	1.2
229.09679	2.0
229.13371	1.5
230.11774	2.3
231.11276	1.0
237.02754	5.1
240.10208	1.8
241.13361	1.5
243.11275	64.9
244.09586	1.0
244.11858	1.5
245.12816	1.4
247.78043	0.8
248.11528	1.0
255.11313	2.3
256.09903	0.9
257.09381	1.1
257.12894	3.0
258.11276	4.8
259.14371	1.9
261.12314	53.4
262.12625	1.7
269.15707	0.8
272.11743	1.2
273.12323	5.4
275.10568	1.5
275.13882	3.8
276.12311	1.3
279.03891	3.3
285.12326	7.1
286.10867	1.6
303.13354	100.0
304.13663	2.9
321.10400	5.2
321.14383	52.5
322.14804	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.1442
Annotation	Formylfusarochromanone
Peak:m/z	Relative Intensity
53.03949	0.9
55.01860	1.5
56.05020	1.0
59.28045	0.7
67.01847	2.8
67.05494	1.5
69.03407	2.2
70.05880	4.1
70.06584	4.3
72.08118	1.1
72.31480	0.7
79.05476	1.6
81.03401	3.3
81.07031	1.6
84.04502	1.2
84.08138	2.1
85.02924	0.9
86.09690	2.9
87.04363	0.8
91.05469	1.5
93.07027	1.6
94.06568	1.3
95.04965	1.0
100.60898	0.7
101.29482	0.7
103.05426	0.9
105.03433	0.9
107.08593	0.8
108.08096	1.3
110.06003	1.9
110.07175	1.0
116.98551	0.8
117.03345	2.7
120.04526	0.9
120.08073	0.9
122.06028	4.3
124.07555	2.7
129.10243	1.5
129.89014	1.3
134.06012	13.2
136.07562	14.2
138.05486	1.1
145.02840	3.2
146.06035	0.9
152.07050	14.1
159.09087	0.9
161.07051	4.3
161.10721	2.7
162.09088	0.9
164.07037	17.5
170.08215	1.2
170.09665	0.8
172.11221	1.4
177.05434	5.8
182.08113	3.8
186.07829	2.9
187.08649	2.9
187.12257	2.7
189.10229	3.1
189.94144	0.9
190.10869	1.9
200.09297	5.7
201.10213	5.7
201.13826	4.7
202.08873	1.2
202.10831	1.3
203.11787	2.5
206.08220	1.3
208.09685	2.0
211.12202	1.4
213.10107	1.0
214.07336	1.0
214.10823	2.2
215.08186	6.9
215.11746	20.1
216.12357	1.1
218.05707	0.8
218.13863	1.1
228.08902	2.5
229.09674	3.4
229.13359	15.1
231.11215	2.4
239.11812	1.0
241.09685	1.0
243.11264	64.3
244.11693	3.0
247.09808	1.1
257.12787	11.2
260.12784	2.7
267.11288	3.4
275.10141	3.5
275.13864	7.4
285.09015	1.2
285.12250	8.8
303.13358	100.0
304.13971	3.9
321.10052	8.5
321.14395	98.7
322.10742	1.0
322.14661	4.4
342.08072	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.1154
Annotation	Unknow
Peak:m/z	Relative Intensity
51.18097	0.3
56.96568	0.4
69.03439	0.3
70.46729	0.9
85.02872	0.3
98.97586	0.5
100.86485	0.3
101.00904	0.4
111.05602	0.3
119.01933	0.8
125.01833	0.2
126.23894	0.2
130.19051	0.3
130.37012	0.3
131.01894	0.7
133.03413	1.4
141.06622	0.8
143.01918	0.4
145.03468	0.5
146.43048	0.3
154.97539	0.3
155.01863	0.4
157.01836	0.3
157.03447	0.5
159.05045	0.4
159.06322	0.5
159.07671	0.3
159.16898	0.2
160.09708	0.4
171.05017	0.3
173.02919	0.7
175.02780	0.3
183.04951	0.3
187.04594	0.3
219.07178	0.8
221.05145	0.6
231.07158	0.9
245.05135	0.6
259.04816	0.3
273.08173	0.3
279.09247	0.3
321.11560	100.0
322.11905	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.103
Annotation	Unknow
Peak:m/z	Relative Intensity
56.04994	0.9
56.96555	7.0
58.33038	0.7
58.99837	1.8
59.76467	0.7
68.98256	0.7
69.03394	1.8
71.51930	0.9
77.00868	1.7
81.03382	0.9
82.99842	2.2
84.08099	1.1
84.95996	1.4
85.01393	1.6
85.02859	2.2
86.99298	1.5
91.02378	0.9
94.99809	1.0
97.01366	1.4
97.02875	2.4
98.97585	6.8
101.00867	21.8
103.02425	4.5
105.00336	1.2
110.07066	0.8
110.97517	2.0
113.00850	10.5
115.02415	18.1
116.98620	3.9
117.02219	0.8
117.03982	5.6
118.01108	1.0
119.01907	55.4
120.01919	1.2
121.03423	2.3
125.00812	1.2
127.02351	3.4
127.03881	0.8
128.98528	2.3
129.03925	2.6
131.01888	37.5
132.01866	1.0
133.03452	48.8
134.03537	1.3
134.99622	1.2
135.04121	0.9
135.05016	8.6
137.00761	2.3
137.02936	8.7
141.03894	3.2
142.03468	0.9
143.00145	1.0
143.01877	20.1
144.98001	1.0
144.99773	1.4
145.03442	21.8
146.03589	1.5
146.99568	2.3
147.01395	3.5
147.03162	1.2
147.05032	5.0
149.02934	5.7
151.04515	7.0
153.03860	1.7
154.03439	0.9
154.85049	0.8
155.01875	32.0
155.35233	0.8
156.02730	6.7
156.04922	1.1
157.03436	10.6
158.08109	0.8
158.99617	1.7
159.05013	32.6
160.04919	0.7
160.09612	1.0
161.01291	1.8
161.02931	31.7
161.06616	0.9
162.02960	0.9
162.99084	1.7
163.03217	0.8
163.04501	5.7
165.04019	0.9
165.05988	0.8
168.99796	3.5
169.03421	1.0
171.01228	1.4
171.05013	35.0
173.02939	34.6
173.06564	7.3
175.02994	1.4
175.04515	23.6
177.00655	1.8
177.02373	0.8
177.04486	1.5
177.06027	16.7
178.03423	1.0
179.01831	1.8
179.03944	1.7
182.98877	1.1
183.05070	6.7
184.04424	0.9
185.02892	4.4
185.06500	3.4
187.00850	9.0
187.04475	6.5
187.06084	1.1
189.02440	4.1
189.06059	25.3
191.02470	0.9
191.03961	6.1
191.07527	2.5
193.05437	1.5
195.05017	1.2
195.07074	1.7
196.99193	1.5
197.02911	4.6
197.06529	1.0
199.04373	1.2
200.07619	0.8
201.02347	1.7
201.04346	1.3
201.06059	12.9
203.02348	1.1
203.03999	13.0
203.07509	4.0
205.01836	2.5
205.05559	1.3
208.99583	1.0
211.04437	1.7
213.06068	5.8
215.00345	9.5
219.01620	2.4
219.03513	1.8
219.07126	18.8
221.05034	59.2
222.05231	1.5
223.04646	1.2
229.01820	4.7
231.03580	1.1
231.07114	14.8
233.01514	1.2
233.05095	3.7
233.08600	3.0
237.02794	4.1
239.05951	1.2
239.98624	1.7
240.07550	0.7
240.57539	1.0
243.07149	5.1
244.06613	1.2
245.05054	15.3
247.02933	13.4
248.02878	1.0
249.04533	1.2
249.07970	0.9
255.07083	5.3
259.06479	2.2
261.08203	47.7
262.08365	1.7
263.05927	1.5
265.03922	3.8
273.08289	3.7
279.09216	73.5
280.09399	2.4
289.03952	2.1
302.10629	2.4
321.10300	100.0
322.10507	4.7
339.11285	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	320.1845
Annotation	Unknow
Peak:m/z	Relative Intensity
53.66862	0.8
55.05499	0.9
57.07051	0.9
58.61136	0.7
65.03950	0.8
66.91908	0.9
67.05497	2.2
69.07056	1.6
69.17860	4.6
69.18288	5.2
69.24120	0.8
70.06574	1.1
79.05488	2.6
81.03405	1.3
88.07619	1.0
88.35217	0.9
93.07037	2.3
95.04963	3.2
95.08612	1.5
97.06555	2.0
98.21530	1.8
100.75658	0.8
105.07030	1.2
106.97655	1.0
107.08597	2.3
108.04478	10.2
109.02871	8.0
109.10113	0.9
119.67039	0.9
122.06005	1.5
123.04353	2.0
125.05997	1.8
126.03143	7.6
135.11673	2.0
136.03925	4.9
137.05948	5.8
140.07042	3.0
141.05461	6.2
150.05467	3.7
151.03905	38.7
151.04985	2.5
152.07115	1.0
153.04193	8.1
153.05475	4.9
153.12752	1.4
160.67018	0.9
161.48854	0.8
165.85629	0.9
168.06548	100.0
168.13974	1.0
258.26810	1.1
320.18573	3.5
320.30502	5.0
321.09552	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	321.0666
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96304	1.3
56.96565	18.3
61.02939	1.4
63.62594	1.3
69.03417	2.0
70.06585	1.5
70.19961	4.0
72.08159	1.2
77.00929	1.7
82.99835	2.5
83.91049	1.2
84.08140	1.9
84.96033	4.0
85.02876	3.2
97.02890	3.4
98.97569	14.2
100.99126	3.7
101.00875	18.7
103.02470	1.9
105.49745	1.5
110.07188	2.2
110.97549	2.8
113.00871	4.7
113.61350	1.5
114.20672	1.3
115.02410	8.5
116.98594	9.2
119.01914	66.6
120.01994	3.2
128.98590	5.3
129.03989	2.4
131.00932	1.7
131.01895	26.3
133.03461	20.4
134.99628	5.7
135.04968	3.4
137.02953	15.4
138.03040	1.2
142.03456	3.2
143.00122	1.8
143.01866	8.2
144.98076	4.0
144.99818	3.0
145.03525	6.1
146.99632	3.8
147.05045	3.1
149.01280	1.3
149.02950	8.2
151.04524	6.3
155.01892	13.9
155.99661	1.8
157.03453	3.1
158.99622	3.4
159.05031	4.8
161.01299	3.2
161.02946	16.7
162.99152	3.8
163.02637	2.2
165.00714	2.4
168.99768	5.9
171.01367	3.1
171.04994	6.7
173.01419	2.1
173.02956	39.3
174.03036	3.1
175.02620	1.6
175.04527	4.9
177.00742	7.2
177.02417	4.9
177.04083	1.2
177.05928	1.5
179.04045	1.9
181.00127	2.3
183.01483	2.4
185.02954	7.0
185.06540	1.6
187.00877	17.3
187.02489	1.4
187.04527	1.6
189.00961	1.4
189.02470	9.1
189.06050	4.3
190.98628	3.9
191.03946	8.5
195.01747	1.9
195.03445	1.6
195.05045	2.4
196.05089	3.0
196.99313	2.5
201.00630	3.2
201.02431	38.2
201.05936	3.2
202.02550	1.6
203.02271	1.6
203.04030	3.8
205.00194	3.3
205.01978	5.8
208.99686	5.6
213.00693	1.9
213.02454	12.8
213.06076	2.3
215.00366	27.1
219.03502	100.0
220.03677	5.5
221.05113	9.8
223.01245	5.6
223.04724	1.6
224.09074	1.4
229.02023	9.9
229.43410	1.4
231.03514	14.4
233.01468	3.4
233.05025	10.2
237.02782	5.2
237.04665	3.8
239.06000	1.9
242.05136	2.8
243.97710	1.1
247.02956	37.5
248.03296	1.4
249.04483	9.2
259.05032	1.5
261.04526	3.0
261.08328	7.6
265.04062	8.1
279.09225	13.4
289.04034	5.2
298.18542	2.8
307.05096	1.9
321.06564	6.7
321.10141	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	319.1286
Annotation	Unknow
Peak:m/z	Relative Intensity
50.28776	1.0
52.19985	1.0
53.03932	1.3
54.66668	1.1
55.05481	1.9
57.03418	1.3
65.03930	9.9
67.05458	1.8
69.07040	1.9
70.06578	2.7
70.87985	1.3
70.88309	1.8
71.04986	1.0
72.08130	1.7
79.05469	4.2
80.04990	1.6
81.07034	3.1
82.06525	1.3
83.08593	1.4
84.08107	1.5
86.09689	2.2
91.05490	1.4
92.04993	11.9
93.03381	1.5
93.07008	1.2
94.06581	1.6
95.04963	2.0
95.08567	1.1
96.08112	9.6
97.06477	1.5
105.03378	2.9
107.08595	2.3
109.06449	2.0
110.06091	2.0
110.07047	1.2
114.59054	1.1
115.05451	1.3
117.06967	1.3
118.06504	1.7
120.04454	2.4
120.08096	1.4
122.06010	2.6
124.07581	7.9
125.02484	1.2
126.09138	18.2
134.06039	1.5
136.07549	3.7
138.05437	2.0
138.09142	5.9
146.09698	1.4
148.03906	3.5
150.05473	4.1
150.09113	2.0
152.03404	1.9
152.07051	44.0
153.01822	4.1
156.08081	1.8
157.08847	1.3
158.09624	1.8
160.07549	1.1
161.07085	1.5
162.05499	3.4
164.03374	1.9
166.04980	100.0
170.05878	1.3
170.09592	3.0
172.07452	1.4
172.09891	1.7
172.11221	1.5
173.10751	1.9
174.09155	2.9
175.08617	4.3
176.03418	16.1
182.04456	17.4
182.09627	2.3
183.09239	1.6
184.07576	5.3
184.09865	2.3
185.08345	1.8
186.09143	2.3
187.12308	2.5
187.18231	1.1
188.10722	2.4
194.04469	11.6
195.02934	1.3
197.06927	1.7
198.07596	2.4
198.09361	6.6
199.08653	4.0
199.12292	2.6
200.09340	3.5
200.10754	4.3
201.10303	6.8
209.10831	1.4
211.08684	3.9
212.07179	2.2
212.09422	8.5
213.06581	1.4
213.10139	3.7
214.08675	1.7
215.08115	1.6
215.11745	13.7
216.10185	2.1
225.06499	2.0
225.10149	5.6
226.06985	1.3
226.08873	1.9
226.10872	2.7
227.08240	6.1
227.11795	12.1
228.10394	6.6
229.09698	15.2
229.13266	2.3
230.08118	1.5
233.09175	5.5
237.10103	1.3
239.08148	2.3
240.08748	8.6
241.09659	6.3
242.10548	2.4
243.11261	33.1
244.08282	1.6
245.09251	2.5
253.09671	7.6
254.08102	1.8
255.07474	2.8
255.11246	12.4
257.09189	4.3
257.12869	3.6
259.07050	5.4
259.10760	3.0
261.12329	4.2
270.10022	2.1
271.10739	39.1
272.08954	1.6
273.03989	2.1
273.12292	66.5
274.10599	6.8
275.13876	5.3
283.07483	1.6
283.10733	65.6
289.11801	15.7
301.11795	89.8
302.12250	2.5
304.05020	1.7
319.04303	10.7
319.07245	4.8
319.12839	98.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.1285
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.1
53.33088	0.8
54.69130	0.8
55.05494	1.8
57.03411	1.0
57.46319	0.7
60.08164	1.6
65.03915	1.2
67.05493	5.7
69.03403	2.6
69.07050	3.4
69.54142	5.7
69.54554	1.4
70.06578	3.0
71.04982	0.9
72.08134	1.6
73.71874	0.9
77.02130	1.0
79.05478	3.2
81.03410	1.5
81.07037	5.5
84.08131	2.0
85.02887	1.7
85.06508	0.9
86.09688	1.7
91.05456	3.8
92.05013	1.5
93.07027	3.8
94.06586	2.0
95.04970	4.2
95.08582	3.0
97.02888	1.1
97.06506	1.9
98.97537	1.1
105.03376	7.1
105.07030	4.4
107.08585	2.9
108.04472	1.8
108.08107	1.0
109.06520	1.2
109.10136	3.9
110.06012	1.8
115.05465	1.4
117.05702	0.9
117.06920	1.3
118.06528	0.9
119.08565	2.7
120.04428	1.9
120.08086	2.8
121.10133	3.2
122.06007	2.0
123.08054	1.3
123.11726	1.5
124.07586	1.3
126.09132	1.1
128.06215	1.0
129.06985	1.8
130.06522	1.8
131.08578	1.9
133.06496	1.5
133.10130	1.7
135.08081	1.9
135.11681	1.1
136.07538	4.7
137.06006	1.5
137.09645	1.0
139.11137	1.4
141.06937	0.8
142.07675	1.2
143.07243	1.1
143.08522	1.9
145.10138	1.3
146.05925	1.2
147.11641	1.3
148.03882	1.2
149.02342	1.1
149.09531	1.7
149.13257	0.9
150.05479	1.5
153.01830	1.7
153.07040	0.9
154.06476	1.2
155.07243	1.0
155.08508	1.1
156.08086	4.2
157.08835	1.5
157.10046	1.4
158.06017	1.2
158.09657	3.2
159.09229	1.0
159.11708	1.1
160.07571	1.9
161.05959	2.3
161.09634	1.0
162.05606	1.0
166.05009	1.5
167.07156	1.7
169.08760	1.0
170.09663	5.2
171.09166	1.0
172.07581	1.0
172.09933	3.1
172.11256	2.1
173.07037	1.0
173.10744	5.4
175.08617	7.5
182.09711	1.8
183.06721	1.0
183.09218	1.3
184.07573	14.0
184.11267	1.3
185.07077	1.1
186.09134	3.9
187.08646	1.9
187.12334	8.5
188.09300	1.7
197.08467	1.5
198.07607	1.4
198.09177	14.8
199.08691	1.8
199.12308	2.4
200.09282	6.4
200.11043	1.3
201.10197	19.2
202.08597	1.0
202.10960	1.1
210.09109	3.3
211.08807	2.4
212.07089	3.8
212.09406	5.4
212.11082	1.5
213.06567	1.4
213.10255	2.5
214.07004	1.1
214.08763	2.3
214.10735	1.1
215.11777	27.7
223.08519	1.1
225.06479	1.3
225.10210	1.3
226.08731	1.6
227.08127	3.3
227.11786	8.7
228.08656	1.4
228.10402	1.5
229.09700	51.9
238.08577	1.3
239.08092	1.4
240.08788	6.7
241.09744	7.2
242.10130	1.0
243.11281	48.9
244.11681	1.0
245.12860	4.2
255.11209	14.9
257.12888	2.4
259.10739	5.5
260.11047	2.5
271.10764	58.1
272.11496	1.2
273.12311	100.0
274.12808	1.5
275.13879	8.2
283.10733	7.1
289.11774	2.5
301.11804	64.5
301.21487	1.6
302.12164	1.4
319.07101	6.6
319.12860	49.9
319.22757	3.7
320.13385	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.1022
Annotation	Unknow
Peak:m/z	Relative Intensity
61.91336	1.1
61.91702	1.1
70.06564	1.5
70.65654	2.0
70.65998	2.7
72.08162	1.3
81.07920	1.4
82.88562	1.0
83.04956	2.0
85.02867	3.0
97.02902	1.3
111.04436	13.0
145.75882	1.1
157.04948	100.0
158.05264	2.0
171.42915	1.2
238.70047	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.1286
Annotation	Unknow
Peak:m/z	Relative Intensity
51.51748	1.1
53.03951	1.6
55.01863	1.2
55.05491	1.7
55.75957	1.1
56.05019	1.1
57.32634	1.2
65.03931	9.9
67.05491	3.5
69.07050	3.1
69.62356	9.1
70.06572	2.3
79.05470	3.5
80.05003	1.4
81.03367	1.4
81.07040	2.9
83.04970	1.8
84.08135	1.8
86.09695	2.8
91.05457	2.4
92.05004	11.4
94.06545	2.1
95.04944	2.6
96.08127	9.9
105.03382	4.5
105.06995	2.2
107.08611	1.5
108.04456	1.7
110.06008	3.7
120.04459	2.7
120.08096	2.1
122.06032	3.0
124.07580	10.5
126.09158	15.9
128.06224	1.8
130.06430	1.3
134.05959	1.6
135.11638	1.5
136.07549	3.0
138.05478	3.0
138.09131	4.2
139.03864	2.7
143.08516	1.6
148.03929	4.1
148.29921	1.5
150.05496	4.9
150.09105	1.5
152.03500	1.4
152.07060	49.3
153.01810	3.4
156.08049	3.0
158.09622	3.7
160.07603	1.7
162.05496	4.9
164.03452	2.1
166.04988	90.8
167.05336	1.6
167.07210	1.7
170.05959	1.6
170.09627	3.0
172.09924	1.8
172.11203	2.5
173.07118	1.6
173.10815	2.3
174.09114	2.9
175.08673	4.6
176.03439	17.3
178.05008	1.9
179.03358	1.6
182.04472	16.9
182.09669	1.9
184.07559	7.5
184.09869	2.9
185.07018	1.9
185.10727	2.1
186.09189	1.7
187.08641	2.8
187.12337	6.6
188.07065	2.2
188.10686	2.2
194.04462	12.1
198.07759	3.4
198.09341	8.2
199.08690	4.2
199.12230	2.3
200.07510	1.6
200.09166	3.0
200.10904	8.8
201.10254	6.6
210.09242	1.7
211.08664	4.6
212.07184	2.5
212.09424	8.0
213.06596	3.1
213.10182	3.8
215.08156	3.6
215.11745	17.1
216.10207	3.1
225.06549	1.6
225.10211	6.8
226.08688	2.1
227.08275	6.2
227.11794	16.0
228.10330	8.5
229.09703	18.3
229.13290	2.5
230.08089	1.8
233.09247	7.3
237.10162	2.6
239.08148	2.4
240.08771	7.7
241.09665	7.6
242.08087	1.4
242.10445	3.3
243.11266	38.7
244.11783	1.6
245.04413	2.4
245.09137	3.1
245.12877	3.8
253.09668	7.6
254.08047	3.0
255.11246	19.8
256.09717	2.1
257.09219	5.2
257.12796	5.2
259.07153	5.9
259.10818	4.3
260.10123	1.4
261.12363	3.0
270.10031	3.0
271.10739	41.9
272.11377	2.2
273.12311	70.2
274.10580	18.2
275.13843	4.1
283.10751	79.5
284.11365	2.4
288.11133	2.0
289.11801	13.5
301.11804	90.0
302.12485	2.2
304.04666	1.6
312.55545	1.5
319.04245	9.8
319.07239	4.3
319.12866	100.0
320.13385	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	319.0786
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96563	15.2
57.03422	4.3
61.02928	3.8
69.03427	9.1
71.12941	8.0
73.02923	7.1
81.03371	5.4
85.02889	16.7
97.02888	11.3
98.97555	15.8
99.04469	3.2
101.00838	19.7
103.02443	4.7
107.04914	16.4
109.02899	3.8
110.97547	5.1
113.00864	9.0
115.84666	3.2
116.98592	12.7
119.01915	39.5
125.04360	2.9
128.98665	6.2
131.01907	38.7
133.03481	6.7
134.99686	3.4
137.02907	4.2
143.01912	9.3
145.03438	12.1
145.04973	3.9
146.99667	6.8
147.05049	3.8
149.01273	4.0
149.02927	9.3
155.01868	20.5
156.03638	3.4
156.53760	4.1
157.03540	8.1
157.04939	22.2
158.99663	3.9
161.02946	15.4
163.04529	3.5
171.05040	5.8
173.02945	71.9
173.04347	6.6
175.04504	4.9
183.05017	3.8
185.02954	14.8
187.04536	6.3
189.02466	5.4
195.05031	10.0
197.02980	3.6
199.00819	6.8
199.04474	3.9
203.03883	17.9
209.02821	3.5
215.04115	4.9
217.01912	31.9
221.03093	7.0
221.05054	22.3
222.03053	3.6
229.01848	6.8
229.03731	7.6
237.56535	3.8
239.06125	7.1
245.06560	23.3
257.05096	14.8
299.84854	3.1
301.03986	13.7
319.10239	100.0
319.13242	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	319.0786
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96563	15.2
57.03422	4.3
61.02928	3.8
69.03427	9.1
71.12941	8.0
73.02923	7.1
81.03371	5.4
85.02889	16.7
97.02888	11.3
98.97555	15.8
99.04469	3.2
101.00838	19.7
103.02443	4.7
107.04914	16.4
109.02899	3.8
110.97547	5.1
113.00864	9.0
115.84666	3.2
116.98592	12.7
119.01915	39.5
125.04360	2.9
128.98665	6.2
131.01907	38.7
133.03481	6.7
134.99686	3.4
137.02907	4.2
143.01912	9.3
145.03438	12.1
145.04973	3.9
146.99667	6.8
147.05049	3.8
149.01273	4.0
149.02927	9.3
155.01868	20.5
156.03638	3.4
156.53760	4.1
157.03540	8.1
157.04939	22.2
158.99663	3.9
161.02946	15.4
163.04529	3.5
171.05040	5.8
173.02945	71.9
173.04347	6.6
175.04504	4.9
183.05017	3.8
185.02954	14.8
187.04536	6.3
189.02466	5.4
195.05031	10.0
197.02980	3.6
199.00819	6.8
199.04474	3.9
203.03883	17.9
209.02821	3.5
215.04115	4.9
217.01912	31.9
221.03093	7.0
221.05054	22.3
222.03053	3.6
229.01848	6.8
229.03731	7.6
237.56535	3.8
239.06125	7.1
245.06560	23.3
257.05096	14.8
299.84854	3.1
301.03986	13.7
319.10239	100.0
319.13242	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	318.1184
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	2.7
56.05019	1.3
56.96563	9.2
57.03435	4.0
58.57005	1.4
61.02921	3.4
67.05502	2.7
68.05026	3.0
69.03428	14.7
69.07067	2.0
69.36982	1.3
70.06587	6.5
71.05038	1.4
71.16029	2.9
72.08157	14.8
72.55145	1.3
73.02916	5.0
76.17854	1.5
81.03420	6.2
83.04985	1.4
84.04494	7.5
84.08137	4.2
84.96017	1.4
85.02898	25.4
86.09702	38.1
87.04456	2.0
95.04976	2.5
96.04488	31.2
97.02888	9.6
98.97571	7.3
99.04479	2.6
102.05549	1.5
107.04945	8.8
109.02906	2.4
110.06017	3.1
110.97574	1.4
111.04437	3.1
114.05495	3.1
116.98605	4.0
119.01849	1.8
127.03920	6.9
128.98640	3.8
130.08597	2.1
134.99684	3.5
135.04408	1.6
138.05493	48.9
138.06544	2.5
139.03908	3.2
141.06635	1.6
142.03284	1.7
143.11812	4.3
145.04961	3.4
146.99657	2.9
147.04449	2.1
148.05975	2.7
152.07088	1.5
155.99724	1.5
156.06544	100.0
157.04973	4.6
170.99680	1.6
174.00740	3.5
175.02463	1.5
180.06573	4.7
185.16501	10.1
186.02168	1.7
197.12849	3.9
213.16005	2.5
228.09032	1.5
238.04204	2.5
273.02750	1.8
303.04449	2.4
318.06998	8.9
318.11890	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	318.104
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	8.8
56.96555	67.5
57.03423	27.7
61.02921	12.9
61.77790	9.5
69.03400	29.4
70.04066	13.2
70.06604	20.0
71.02479	21.7
71.04974	8.7
71.35632	8.0
71.51842	20.4
72.08142	34.6
73.02922	18.0
81.03415	12.3
84.04495	16.1
84.08132	23.1
85.02890	71.4
86.09706	71.6
89.03475	8.7
96.03027	8.5
96.65335	10.5
97.02879	30.1
98.03508	39.1
98.05996	14.7
98.97592	61.6
100.05090	8.6
107.04927	22.5
109.02850	13.1
110.07088	11.3
110.97586	13.1
115.03929	12.8
115.06172	29.1
116.98598	60.8
124.03841	10.9
125.04545	15.2
125.06986	74.9
126.05350	35.2
126.07739	10.5
127.03893	16.6
128.07147	9.8
128.98605	22.0
129.10248	17.4
133.04910	11.3
134.99609	22.0
136.06198	43.6
138.05493	19.4
140.00269	9.5
143.05646	48.2
146.99629	37.8
153.06436	65.5
154.07185	31.5
155.99663	55.5
156.03200	9.8
156.06531	25.3
157.01598	9.8
157.13356	12.7
158.99615	12.7
161.01176	10.7
173.02766	11.9
174.00752	100.0
174.04379	20.4
175.02715	13.4
177.00696	25.9
177.05457	12.2
186.04390	30.2
186.06201	33.1
189.00716	12.6
191.05658	9.4
192.01854	15.4
198.00787	17.5
204.05415	26.1
216.01810	49.8
221.03017	14.2
221.89200	9.3
228.01886	10.9
228.05429	18.8
229.00159	12.7
237.02783	27.0
257.11206	20.1
318.07016	14.1
318.10495	19.2
318.30048	14.0
336.05347	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	317.0654
Annotation	Quercetin 3-methyl ether
Peak:m/z	Relative Intensity
52.12557	0.2
55.05475	0.3
66.01086	0.3
66.94593	0.2
67.05478	0.2
68.99780	0.4
69.03422	0.2
69.07042	0.4
70.05595	1.0
71.01356	0.2
74.66444	0.2
76.25770	0.2
78.01053	0.4
79.05450	0.6
81.03403	0.4
81.07040	0.6
91.05449	0.5
92.02585	0.6
93.03395	0.4
93.07019	0.4
95.04951	0.3
95.08569	0.5
104.32471	0.2
105.07006	0.5
107.04958	0.4
107.08560	0.6
108.02042	0.2
109.02827	0.2
109.10124	0.2
110.03639	2.6
117.07066	0.2
119.08554	0.5
121.02832	0.5
121.10104	0.4
123.08100	0.2
126.03049	0.4
131.08611	0.2
133.10112	0.4
137.02315	4.3
137.03203	0.2
137.09581	0.2
145.10098	0.4
147.11604	0.2
149.05986	0.3
150.03110	0.5
153.01814	3.5
154.02408	0.2
159.11606	0.3
161.09602	0.4
165.01859	0.4
167.07062	0.2
172.05159	0.3
177.00636	0.3
186.03110	0.2
189.05434	0.2
192.04128	0.2
193.01343	1.1
200.04652	2.2
203.03423	0.5
204.04147	1.2
205.04951	0.3
215.03394	0.3
217.04987	1.1
218.05714	0.7
227.03427	0.3
228.04129	7.1
229.04892	3.8
231.02956	0.2
232.03595	0.2
243.06499	0.3
245.04425	3.7
246.05101	0.9
256.03625	1.3
257.04407	2.6
267.71466	0.2
270.54904	0.2
273.03879	1.9
274.04688	9.5
275.05127	0.2
277.96750	0.2
285.03915	3.6
299.12750	0.4
299.20010	0.3
301.03397	27.8
302.04166	79.2
303.04544	2.3
317.06516	100.0
318.06863	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.1957
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05488	4.1
57.03419	2.2
57.07065	2.6
57.96666	1.2
61.02910	2.0
65.03917	1.5
67.05495	6.6
68.49331	1.2
68.99763	1.5
69.03414	8.4
69.07056	4.7
70.06567	2.6
71.04977	1.8
71.52751	2.2
79.05489	10.5
81.03400	5.7
81.07047	90.8
83.04969	3.2
85.02894	47.1
85.06515	1.4
87.04407	1.2
87.88944	1.7
91.05466	6.6
92.02583	2.8
93.03400	4.2
93.07026	12.7
95.04950	5.0
95.08591	17.4
97.02888	7.0
98.20806	1.2
100.11198	1.7
105.07008	8.8
107.04900	2.2
107.08581	14.5
109.02856	5.5
109.06477	1.8
109.10176	6.4
111.04436	3.4
117.06988	1.7
119.08567	8.4
121.02867	3.6
121.06483	5.0
121.10121	5.2
123.08032	1.8
123.11671	2.7
123.41787	1.3
127.03888	10.7
127.34516	1.6
129.05479	2.5
131.08536	5.6
133.06497	1.6
133.10117	6.8
135.08057	2.8
135.11679	5.3
137.09685	1.3
137.13240	28.0
139.03836	2.6
140.14272	1.2
142.07854	1.3
143.08549	4.1
145.04956	7.9
145.06500	1.3
145.10101	4.7
147.07973	2.0
147.11684	4.9
149.09616	2.5
151.03874	2.6
153.01807	19.4
155.08479	2.1
157.10112	4.1
159.08049	2.6
159.11679	4.5
161.05989	3.8
161.09622	7.2
161.13232	3.1
163.06026	5.8
163.07379	2.0
163.11195	1.9
165.01843	1.7
165.09146	3.5
167.08575	1.8
169.10208	1.4
171.11652	2.3
173.13248	3.1
175.11177	1.7
175.14821	1.6
177.12747	1.9
183.02863	2.6
185.13261	2.4
187.11067	2.0
187.14838	1.4
199.14702	1.5
201.05441	1.7
203.03384	1.8
217.05064	3.1
225.12813	1.7
228.04150	4.6
229.04861	7.6
234.98936	1.8
245.04449	3.7
246.05191	4.0
257.04425	5.4
263.16403	3.1
271.13269	2.6
273.03952	2.6
274.04660	7.6
277.00049	3.1
281.11813	1.4
285.04028	9.3
299.12872	2.2
299.19965	2.5
302.04169	23.1
317.06519	100.0
317.20956	8.1
317.24628	3.9
318.06808	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	317.0651
Annotation	Isorhamnetin
Peak:m/z	Relative Intensity
55.05495	0.8
57.07068	0.6
65.03929	1.1
67.05485	2.0
69.03397	1.0
69.07058	1.5
70.06582	0.4
70.83767	1.1
71.04934	0.5
79.05470	1.8
81.03415	0.9
81.07044	7.5
83.04973	0.4
85.02904	3.8
87.04438	0.4
91.05466	1.8
92.02615	3.3
93.03391	2.5
93.07045	2.9
95.04955	1.0
95.08612	2.7
97.06480	0.5
105.07018	2.4
107.04912	0.7
107.08605	2.4
109.02847	1.0
109.06498	0.9
109.10115	1.2
111.34234	0.5
117.06981	1.1
119.08595	2.2
120.08118	0.5
121.02848	2.4
121.06467	1.0
121.10089	1.5
123.07975	0.5
123.11682	0.7
125.05969	0.5
126.03114	1.5
127.03885	1.0
127.76849	0.4
131.08575	1.3
133.06442	0.6
133.10107	2.1
135.08009	1.3
135.11656	1.0
137.02307	1.0
137.13229	1.8
139.03891	1.4
139.34094	0.4
143.08554	0.7
145.04933	0.7
145.10081	1.6
147.11618	1.0
151.03885	1.4
151.07565	0.5
153.01814	15.9
155.08498	0.4
157.10106	0.7
159.07962	0.5
159.11679	0.9
161.05954	1.4
161.09601	1.4
163.06059	0.5
164.15437	0.4
165.01817	1.4
165.09026	0.5
173.06009	0.6
173.13185	0.9
177.05431	1.0
177.09088	0.5
178.73627	0.4
183.02905	1.0
185.13300	0.5
187.11125	0.5
197.13173	0.6
200.04698	0.9
201.05418	1.7
203.03366	1.6
211.14842	0.5
217.04930	2.4
218.05736	1.6
225.12704	0.6
228.04178	3.5
229.04900	6.5
231.02847	1.7
231.13736	0.7
243.13873	0.6
245.04396	3.7
246.05168	3.1
257.04367	4.4
271.13385	0.9
273.03915	3.0
274.04688	6.5
284.03070	0.7
285.03903	7.6
299.12802	0.7
299.20105	1.0
302.04187	21.0
305.50455	0.5
317.06525	100.0
317.20966	2.8
318.06870	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	317.0652
Annotation	Isorhamnetin
Peak:m/z	Relative Intensity
53.03928	0.4
55.05495	0.7
56.96550	0.6
65.03917	1.0
67.05485	1.1
68.69930	0.4
68.70577	0.4
68.99771	0.4
69.07043	1.3
70.77298	1.3
79.05499	2.0
81.03402	1.1
81.07056	4.2
91.05473	1.1
92.02611	3.1
93.03396	3.2
93.07027	1.1
95.04978	0.6
95.08575	0.8
97.02823	0.3
98.97559	1.5
105.07005	1.3
107.08612	1.9
109.06519	0.4
109.10134	0.7
111.00793	0.5
116.98597	0.8
119.08565	1.4
121.02897	2.1
121.06490	0.8
121.10143	0.8
123.04388	0.5
123.08096	0.4
123.11697	0.4
126.03116	1.2
131.08528	0.7
133.10115	1.2
134.99678	0.6
135.11708	0.4
137.02281	0.5
137.05960	0.5
139.03865	1.5
141.06976	0.5
143.08542	0.5
145.06496	0.4
145.10184	0.4
149.01263	0.4
151.03874	1.2
153.01811	16.8
159.08006	0.4
160.97577	0.4
161.05931	1.0
161.09653	0.8
163.03951	0.6
165.01799	1.2
170.02138	0.4
173.01210	0.8
173.05937	0.5
177.00647	0.7
177.05432	0.5
179.03412	0.5
179.04958	0.4
183.02798	0.5
191.02361	0.6
198.86600	0.4
200.04713	0.9
201.05473	1.9
203.03391	1.4
217.04990	2.6
218.05754	1.0
219.02928	0.5
228.04120	4.0
229.04930	7.7
231.02913	1.0
245.04457	3.3
246.05190	2.9
253.12167	0.5
256.03671	0.7
257.04416	4.8
260.03229	0.7
269.10718	0.9
273.03937	2.8
274.04700	7.1
284.03207	0.6
285.03894	8.2
287.01767	0.5
287.11526	0.5
299.20071	0.4
301.03427	0.8
302.04181	22.3
303.04565	0.6
317.06531	100.0
317.21024	2.2
317.24417	0.6
318.06888	2.7
319.29782	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.0651
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44852	0.2
53.55993	0.2
58.44666	0.2
65.03936	0.6
68.99779	0.7
70.86271	0.3
70.86611	0.3
76.73067	0.2
77.90639	0.2
86.09692	0.4
92.02621	2.8
93.03387	2.8
94.04160	0.3
95.01302	0.2
111.00761	0.3
121.02847	2.0
123.04360	0.2
126.03104	0.8
129.59607	0.2
133.17133	0.2
137.02289	0.4
139.03911	1.2
151.03908	1.4
153.01811	16.4
155.04898	0.3
163.03932	0.3
165.01805	1.4
166.02547	0.3
173.06000	0.3
177.05415	0.6
179.03316	0.2
183.02902	0.3
183.04440	0.3
192.04126	0.2
200.04669	0.7
201.05464	1.3
203.03392	1.4
217.04936	3.0
218.05664	1.1
219.02893	0.7
228.04144	3.0
229.04935	6.7
231.02794	1.0
233.04422	0.2
239.03377	0.3
245.04456	3.3
246.05179	3.0
256.03674	0.4
257.04388	4.8
260.03250	0.9
261.07587	0.5
271.05789	0.3
272.23572	0.2
273.03949	3.0
274.04694	7.2
275.05182	0.3
284.03085	1.0
285.03912	7.7
287.01901	0.3
288.06311	0.5
301.03482	0.5
302.04190	22.2
303.04559	0.3
317.06525	100.0
318.06921	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	317.0652
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26579	0.1
61.84783	0.2
65.03922	0.4
68.99776	0.4
69.36259	0.2
69.36670	1.3
78.53057	0.2
91.05445	0.2
92.02608	3.2
93.03395	2.9
95.04945	0.2
104.27453	0.2
111.00767	0.2
120.01996	0.2
121.02836	2.1
122.03659	0.3
123.04450	0.2
126.03101	1.2
129.98830	0.2
137.02303	0.5
139.03877	1.3
145.06491	0.2
147.04285	0.2
149.02296	0.2
150.03116	0.4
151.03879	1.4
153.01808	16.6
155.04883	0.3
161.06009	0.3
163.03871	0.3
163.98506	0.2
165.01797	1.1
166.02586	0.3
173.05998	0.4
177.05431	0.4
179.03354	0.4
183.02922	0.4
183.04349	0.3
189.05508	0.3
191.03429	0.2
200.04694	0.6
201.05420	1.8
202.05946	0.2
203.03369	1.5
211.03922	0.2
217.04903	2.8
218.05713	1.3
219.02908	0.6
228.04141	4.1
229.04935	7.5
231.02888	1.1
232.03662	0.3
243.06561	0.3
245.04414	3.3
245.06779	0.3
246.05212	3.3
247.02448	0.3
256.03665	0.4
257.04404	4.8
260.03195	0.9
261.07730	0.4
271.06046	0.3
273.03922	3.4
274.04691	7.6
275.04974	0.2
284.03110	0.8
285.03906	8.3
286.04617	0.4
287.01776	0.2
288.06213	0.4
301.03564	0.2
302.04169	24.3
303.04587	0.6
317.06516	100.0
318.06891	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	317.0651
Annotation	Isorhamnetin
Peak:m/z	Relative Intensity
55.46228	0.2
65.03922	0.9
65.25820	0.3
65.87821	0.3
68.99787	0.6
70.87675	0.6
79.05462	0.4
81.03381	0.3
84.08117	0.5
86.09682	1.3
92.02607	3.7
93.03398	2.9
93.07015	0.3
105.07021	0.3
109.02834	0.3
111.00774	0.5
120.08076	0.4
121.02863	2.4
122.03661	0.4
124.01559	0.3
126.03105	1.0
128.10686	0.3
129.10228	0.8
135.04395	0.3
136.07608	0.3
137.02335	0.7
139.03877	2.1
151.03883	1.7
151.07462	0.2
153.01807	18.4
155.04924	0.6
165.01843	1.3
166.02534	0.4
170.65932	0.2
173.05981	0.5
177.05482	0.4
179.03331	0.4
183.02931	0.3
187.03848	0.5
190.06279	0.3
190.50368	0.3
192.04070	0.3
200.04640	1.1
201.05421	2.0
203.03377	1.6
211.03806	0.4
217.04924	3.3
218.05740	1.5
219.02858	0.6
228.04140	3.9
229.04924	8.0
230.05452	0.3
231.02844	1.0
245.04436	3.7
246.05206	3.2
256.03656	0.6
257.04407	4.8
259.02383	0.3
260.03238	0.6
261.07449	0.5
271.06009	0.4
273.03903	4.3
274.04684	7.7
284.03104	1.0
285.03885	8.1
286.04489	0.3
287.01672	0.3
301.03436	0.3
302.04160	23.1
303.04449	0.8
317.06509	100.0
318.06845	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.0651
Annotation	Oryzafuran
Peak:m/z	Relative Intensity
60.57011	0.4
65.03915	1.2
68.99768	1.2
70.58795	0.9
70.59123	0.8
88.19720	0.4
92.02613	4.6
93.03395	5.3
107.87293	0.3
111.00798	0.9
121.02869	2.8
122.03648	0.4
126.03113	1.5
137.02301	1.2
139.03891	2.0
151.03900	2.2
152.00977	0.6
153.01817	26.3
165.01790	1.5
173.05875	0.5
177.05446	0.4
179.03336	0.4
187.03844	0.5
190.06262	0.6
192.04102	0.4
193.83879	0.4
200.04684	0.9
201.05463	2.4
203.03375	3.0
217.04924	4.5
218.05673	1.6
219.02968	0.6
228.04192	6.2
229.04956	11.4
231.02893	1.9
239.03299	0.6
245.04445	6.2
246.05237	5.3
256.03717	0.8
257.04446	6.8
260.03195	1.4
261.07590	0.5
271.06107	0.6
273.03912	5.2
274.04681	10.4
284.03067	1.2
285.03894	12.0
286.04443	0.7
288.06210	0.4
301.03421	0.8
302.04190	30.4
317.06531	100.0
318.06821	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.0652
Annotation	Milimorin
Peak:m/z	Relative Intensity
56.30335	0.2
65.03925	1.0
65.82549	0.1
67.01856	0.3
68.99777	0.9
71.10517	0.5
92.02613	4.8
93.03405	4.1
94.04172	0.2
95.04942	0.2
105.03365	0.2
109.02837	0.2
111.00801	0.3
111.93180	0.2
121.02848	3.4
121.83979	0.2
122.03625	0.6
124.01523	0.3
124.05149	0.2
126.03133	1.7
131.04956	0.3
133.02808	0.4
135.04396	0.2
137.02318	1.1
139.03889	2.2
145.06447	0.3
150.03061	0.4
151.03889	1.6
151.05019	0.2
152.01086	0.2
153.01813	25.8
154.02144	0.4
155.04895	0.4
159.04356	0.2
161.05881	0.3
163.03896	0.5
165.01860	1.2
166.02577	0.3
170.02055	0.3
172.05214	0.3
173.05992	0.6
176.04605	0.2
177.01807	0.4
177.05394	0.5
179.03406	0.6
183.02863	0.5
183.04390	0.6
184.08131	0.2
187.03928	0.5
189.05463	0.4
190.06258	0.3
192.04042	0.3
200.04681	1.1
201.05435	2.5
202.06271	0.2
203.03320	2.3
205.04964	0.2
211.03929	0.4
213.05464	0.2
217.04933	5.1
218.05724	2.1
219.02870	0.9
228.02412	0.1
228.04147	6.3
229.04933	11.4
230.05319	0.2
231.02823	1.9
232.03661	0.3
233.04633	0.2
239.03377	0.2
243.06604	0.3
245.04437	6.2
246.05202	4.7
256.03650	0.6
257.04425	5.4
258.05093	0.2
260.03082	1.0
261.07596	0.4
273.03931	5.2
274.04700	8.5
284.03232	1.3
285.03897	9.5
286.04446	0.4
287.01953	0.3
288.06326	0.3
301.03320	0.8
302.04187	24.3
303.04596	0.6
317.06519	100.0
318.06870	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.0652
Annotation	Isorhamnetin
Peak:m/z	Relative Intensity
51.93313	0.3
59.32768	0.3
65.03938	0.8
68.99788	0.5
69.39680	0.3
69.40215	2.6
82.78287	0.3
88.79942	0.3
92.02617	3.3
93.03397	3.4
98.21610	0.3
107.08597	0.3
108.91433	0.3
108.93442	0.3
110.56486	0.3
112.98874	0.3
118.43089	0.3
121.02850	2.5
126.03114	1.1
137.02333	0.7
139.03879	1.9
151.03903	1.4
153.01822	16.5
155.04865	0.3
163.03944	0.4
165.01807	1.3
167.99544	0.3
172.04778	0.3
173.05946	0.5
177.05418	0.4
179.03413	0.5
187.03969	0.3
200.04659	0.6
201.05470	1.9
203.03307	1.8
204.04105	0.3
217.04950	3.8
218.05664	1.5
219.02785	0.9
228.04141	4.0
229.04950	8.0
231.02917	0.8
243.06445	0.5
245.04498	4.6
246.05203	3.4
252.98416	0.4
256.03583	0.5
257.04434	4.8
260.03201	0.7
271.06058	0.4
273.03915	4.0
273.55557	0.3
274.04688	7.5
284.03043	1.0
285.03915	7.2
286.04504	0.5
288.06006	0.5
301.03513	0.5
302.04175	21.8
303.04440	0.6
317.06540	100.0
318.06851	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.0654
Annotation	Isorhamnetin
Peak:m/z	Relative Intensity
55.05489	0.4
64.23284	0.2
65.03925	0.8
67.05493	0.8
68.99790	0.5
69.03419	0.5
69.07050	0.6
69.47123	0.6
69.47539	1.0
70.06579	0.3
71.04975	0.2
71.32661	0.2
77.43488	0.2
79.05476	0.8
81.03425	0.3
81.07045	1.4
83.04947	0.3
84.08138	0.2
85.02917	0.2
86.09704	0.5
91.05476	0.6
92.02616	3.8
93.03400	2.8
93.07040	0.9
95.04952	0.7
95.08592	0.7
97.02937	0.2
97.06512	0.2
105.07051	1.1
107.08564	1.0
109.02860	0.5
109.10149	0.5
111.00777	0.3
111.04430	0.3
117.07050	0.2
119.01856	0.3
119.08580	0.9
121.02864	2.3
121.06511	0.3
121.10129	0.8
122.03639	0.3
123.04445	0.2
123.08043	0.3
126.03132	1.4
129.06960	0.2
131.08530	0.4
133.02805	0.2
133.06427	0.2
133.10136	0.8
135.08043	0.2
135.11678	0.4
137.02341	0.6
137.05994	0.3
137.09532	0.2
139.03883	1.6
143.08540	0.5
145.06448	0.5
145.10104	0.5
147.11697	0.5
149.02324	0.2
149.05951	0.2
149.09650	0.2
150.03090	0.4
151.03899	1.5
151.07507	0.2
153.01819	17.9
155.04918	0.4
157.10162	0.5
159.11734	0.3
161.06010	0.4
161.09618	0.7
163.03894	0.4
164.03461	0.2
165.01830	1.1
166.02571	0.5
168.05641	0.2
170.02065	0.2
171.04500	0.2
171.11604	0.3
172.11282	0.2
173.05977	0.4
174.12808	0.2
175.14961	0.2
176.04703	0.2
177.05429	0.6
179.03397	0.3
183.02878	0.3
183.04372	0.5
183.11708	0.2
189.05537	0.3
189.16353	0.3
200.04662	0.8
201.05446	1.7
201.16536	0.3
203.03374	1.7
217.04953	3.6
218.05707	1.3
218.11736	0.8
219.02840	0.6
228.04146	4.0
228.10219	0.3
229.04944	7.3
230.05463	0.2
231.02843	1.2
243.06447	0.4
245.04439	4.6
246.05244	3.3
246.11174	0.4
256.03690	0.4
257.04437	4.8
259.02512	0.2
260.03146	0.7
261.07706	0.4
271.06024	0.5
273.03931	3.2
274.04712	7.1
284.03201	0.7
285.03915	8.4
286.04572	0.4
287.01788	0.3
288.06174	0.4
299.19968	0.4
301.03415	0.7
302.04199	23.2
303.04593	0.5
317.06534	100.0
317.20901	1.0
318.06879	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	317.0654
Annotation	Unknow
Peak:m/z	Relative Intensity
51.21270	0.2
65.03922	0.5
68.99780	0.6
71.04018	0.5
89.68100	0.2
90.01157	0.2
90.96164	0.2
92.02151	0.2
92.02631	2.4
93.03399	2.2
95.04997	0.2
105.96026	0.2
109.02860	0.2
111.00774	0.5
121.02849	2.0
126.03112	1.3
129.90652	0.2
133.02812	0.2
137.02328	0.4
139.03900	1.6
151.03905	1.5
153.01814	15.2
155.04906	0.4
156.97717	0.2
165.01834	1.0
165.34084	0.2
166.02560	0.3
170.02113	0.2
172.05209	0.3
173.06009	0.6
177.05412	0.4
179.03380	0.3
183.02881	0.3
183.04407	0.3
189.05396	0.3
190.06306	0.2
191.03427	0.3
200.04643	0.7
201.05484	1.6
201.10292	0.2
203.03392	1.3
211.03824	0.3
217.04974	2.7
218.05753	1.2
219.02911	0.6
228.04126	3.3
229.04938	6.1
231.02863	0.9
243.06538	0.3
245.04422	3.5
246.05183	2.9
247.05809	0.3
256.03598	0.5
257.04428	4.4
260.03122	0.9
261.07581	0.4
271.06018	0.4
273.03903	3.1
274.01761	0.3
274.04681	6.0
284.03156	0.8
285.03888	7.9
286.04709	0.3
288.06293	0.5
301.03339	0.6
302.04184	20.1
303.04517	0.6
317.06528	100.0
318.06891	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	316.2843
Annotation	Halisphingosine A
Peak:m/z	Relative Intensity
53.03932	0.5
55.05508	5.2
56.05036	3.9
57.03441	0.9
57.07075	1.7
58.02954	0.5
60.04520	100.0
67.05499	9.6
68.05016	1.0
69.07057	5.0
70.06577	0.8
71.08629	0.6
71.14492	0.5
71.14851	1.0
72.04514	1.6
74.06065	2.2
79.05478	3.7
80.04993	0.5
81.07043	8.3
81.28133	0.4
82.06578	1.7
82.38149	0.4
83.04999	0.8
83.08620	3.3
85.10186	0.6
86.06065	0.6
87.04469	0.7
90.05555	1.6
91.05479	3.1
93.07030	3.7
94.06585	0.9
95.04936	0.8
95.08601	8.1
96.08106	0.6
97.06523	0.9
97.10159	1.7
100.07639	0.7
102.05529	0.8
105.06997	2.2
107.08579	2.3
109.10158	3.3
109.10817	0.6
111.08144	0.4
111.11777	0.5
112.07545	0.8
119.08569	1.5
121.10155	2.0
123.11694	1.1
133.10098	1.0
135.11678	0.7
137.05963	1.0
137.09604	0.7
184.07478	0.5
184.41866	0.4
245.22612	0.9
250.25266	0.7
255.06334	0.5
262.25314	2.0
268.26367	1.3
269.21753	0.5
280.26321	13.6
281.26859	0.6
298.27347	13.2
298.30743	0.7
299.20361	0.8
299.27786	0.6
316.28424	35.6
317.06198	0.5
317.28796	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	316.2228
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	0.5
56.05033	0.3
58.12210	0.2
61.50202	0.2
61.68076	0.2
65.03938	0.9
67.05499	0.5
68.99797	0.6
69.03430	0.5
69.07066	0.5
70.06599	1.5
70.92407	0.6
71.05035	0.2
72.08144	0.5
75.63857	0.3
79.05489	0.7
79.65969	0.2
81.03409	0.8
81.07046	0.8
81.24641	0.3
84.04508	0.6
84.08137	0.6
85.02888	0.8
86.09696	58.1
87.10016	0.8
91.05468	0.7
92.02619	3.2
93.03393	3.1
93.07046	0.8
94.04141	0.3
95.04963	0.7
95.08607	0.3
97.02901	0.3
97.06551	0.3
104.32835	0.3
105.07032	0.5
107.08595	1.0
108.08931	0.3
109.02868	0.7
109.06485	0.4
109.10137	0.3
110.50751	0.3
111.04461	0.3
117.07018	0.3
119.08620	0.4
120.08123	0.4
121.02853	2.0
121.06497	0.3
121.10119	0.3
126.03128	1.1
129.10185	0.5
130.06509	0.7
132.10173	2.8
133.06512	0.3
135.11684	0.4
136.07573	0.5
136.12006	0.3
137.02318	0.5
139.03889	1.3
139.09447	0.3
145.06430	0.3
146.06000	0.6
149.02328	0.4
151.03897	1.7
153.01811	17.5
154.08635	0.3
155.04903	0.5
157.07599	0.7
157.13348	29.9
158.13742	0.5
161.06013	0.7
161.09622	0.3
162.05481	0.7
163.03864	0.4
163.05852	0.8
163.11205	0.3
164.07104	0.3
165.01817	1.3
167.07013	0.3
173.06023	0.6
177.05545	0.3
183.02943	0.4
183.04413	0.4
185.12837	11.1
187.03911	0.4
190.06209	0.4
200.04761	0.7
201.05429	1.7
203.03357	1.5
203.13902	0.3
204.04346	0.4
217.04904	3.5
218.05779	1.4
219.02907	0.5
228.04140	4.0
229.04962	8.2
231.02896	0.9
233.04190	0.3
239.03496	0.3
240.08806	0.5
241.09258	1.5
245.04413	4.4
245.18640	1.6
246.05182	3.3
256.03665	0.6
256.11603	1.1
257.04446	4.5
257.09192	0.6
257.12296	0.3
260.03027	0.8
261.07571	0.6
271.10544	0.4
273.03885	3.7
274.04678	7.7
284.03146	0.6
285.03912	8.7
286.04712	0.3
298.12555	1.1
299.10138	0.6
301.03323	0.4
302.04184	24.5
311.44318	0.3
315.04965	0.3
316.05823	1.8
316.13446	1.0
317.06525	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.2527
Annotation	(plusmn)12,13-DiHOME
Peak:m/z	Relative Intensity
50.00657	4.7
53.03936	5.1
55.01854	8.3
55.05505	58.4
57.03439	30.0
57.07071	42.9
60.04524	37.7
67.05499	76.3
69.07056	84.8
70.42426	10.0
70.42829	7.9
71.04973	5.0
71.08621	21.3
75.04476	5.7
79.05487	50.6
81.07048	79.2
83.08606	60.3
85.10184	9.9
85.45543	5.2
88.07639	6.4
90.96664	4.4
91.05470	12.0
93.07040	65.8
95.08591	48.5
97.06506	39.9
97.10168	32.7
103.03945	6.4
107.08586	51.8
109.10148	44.5
111.08070	11.2
111.11732	11.2
121.10139	93.7
123.11706	35.0
125.09593	10.8
129.05533	9.0
133.10147	4.9
134.99724	5.7
135.11667	64.3
139.11244	7.4
149.13261	27.0
163.02750	7.8
163.14851	10.3
201.29729	4.5
205.19502	100.0
223.20551	57.9
241.21532	11.3
250.25171	6.2
255.30627	4.9
280.26270	8.2
297.01389	5.1
297.04752	4.9
297.24289	26.9
300.24979	5.8
315.05176	5.6
315.08502	15.2
316.28577	12.2
316.31989	6.8
327.31250	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	316.2842
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03919	0.4
55.01872	0.6
55.05507	5.1
56.05028	4.0
57.03422	0.7
57.07072	2.0
60.04519	100.0
61.04838	0.5
65.03941	0.5
67.05497	9.8
68.05022	0.6
69.07063	5.1
69.19275	1.8
69.19702	1.8
70.06596	0.9
71.08624	1.1
72.04507	1.6
73.02911	0.6
74.06061	2.6
79.05485	4.4
80.04995	1.0
81.07048	8.1
82.06573	1.3
83.04958	0.4
83.08606	3.8
85.10188	0.5
85.25280	0.3
86.06065	0.9
87.04469	1.1
90.05544	1.6
91.05473	2.5
93.07038	4.3
94.06573	0.8
95.04977	1.2
95.08596	8.2
95.09180	0.6
96.08123	0.7
97.06528	0.5
97.10161	2.0
98.21466	0.7
100.07622	0.5
105.06999	1.9
107.08581	2.0
109.06512	0.4
109.10146	2.8
109.37177	0.4
111.08086	0.5
111.11729	0.5
112.07596	0.6
116.07131	0.4
119.07800	0.3
119.08539	1.7
121.10155	1.5
122.09664	0.4
122.63549	0.3
123.07980	0.4
123.11692	1.0
133.10149	1.2
135.11668	1.2
137.05983	0.7
137.09622	0.6
137.13252	0.4
138.72801	0.3
147.11662	0.4
149.13231	0.3
196.20654	0.4
219.21082	0.4
245.22664	0.8
250.25282	1.3
251.23549	0.4
256.26334	0.7
262.25235	1.6
263.23633	0.5
268.26270	0.6
280.26306	11.8
281.26791	0.5
298.27380	12.7
299.20282	0.8
299.27570	0.7
316.28412	34.2
317.06509	1.3
317.21118	0.4
317.28806	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.2527
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01845	3.9
55.05503	27.7
55.94965	2.9
57.03419	9.1
57.07066	23.0
61.29275	2.5
62.06074	3.0
64.71872	3.0
67.05494	32.0
69.07064	37.8
69.80169	16.4
71.08625	12.8
77.04895	2.7
79.05484	21.2
79.09588	2.5
81.07046	34.1
83.08611	30.8
85.10181	4.2
91.05448	5.0
93.07040	29.2
93.42244	2.3
95.08598	21.4
97.05997	2.8
97.06525	17.5
97.10141	12.9
98.20855	5.1
106.08624	3.2
107.08572	26.6
109.10133	16.4
111.08059	7.1
111.11677	3.7
117.06976	2.6
121.10126	47.8
123.11718	20.6
125.09617	4.3
129.05469	3.7
131.08582	4.4
135.05428	2.6
135.11671	36.4
139.11168	2.4
147.07996	3.1
149.13255	15.0
157.06429	3.1
161.89929	3.0
162.56888	2.7
163.14809	3.2
187.11159	32.6
203.22031	3.0
205.19498	44.5
223.20595	30.6
241.21689	5.6
297.24133	12.2
300.06329	3.3
315.08334	7.4
315.19617	20.4
315.30731	5.7
315.34470	100.0
316.32101	7.6
333.18958	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	315.1798
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	10.4
55.01858	13.9
55.05494	22.4
57.03421	20.9
61.02927	10.4
66.50978	6.0
67.05496	29.7
69.03419	51.1
69.07066	28.9
69.69773	36.2
70.06569	11.8
71.04990	13.3
73.02895	7.8
79.05487	32.4
81.03431	34.1
81.07044	57.1
83.04967	24.7
84.08114	11.5
85.02894	60.9
85.06542	9.1
86.09700	21.2
91.05472	41.9
93.07028	100.0
95.04976	34.5
95.08605	34.0
97.02865	25.7
97.06516	21.4
98.20768	11.7
99.04438	10.2
103.03934	10.4
103.05482	7.6
105.07024	57.0
107.04950	13.1
107.08576	97.7
109.02879	10.9
109.06498	26.6
109.10143	31.4
111.04460	12.0
111.08097	7.1
117.06987	12.2
119.08559	43.9
120.08106	29.7
121.06478	14.3
121.08426	23.9
121.10130	30.0
123.04425	14.5
123.08101	12.3
123.11716	14.1
127.03902	11.1
129.05412	7.8
131.08569	23.7
133.04948	7.8
133.10126	22.6
135.08015	11.4
135.11670	85.9
137.05904	11.4
137.09586	16.5
137.13252	7.0
143.08519	15.7
145.04948	15.1
145.10129	19.7
146.06006	7.5
147.08018	12.2
147.11653	26.4
148.07603	7.2
149.09644	8.5
149.13232	8.1
150.42528	5.8
151.07581	12.4
151.11139	13.2
153.12746	27.1
155.08595	7.9
157.10097	12.4
159.11627	18.2
161.05957	13.8
161.09642	14.0
161.13249	11.4
163.11176	18.9
163.85156	5.7
165.07031	7.3
165.12727	33.9
169.10165	10.1
173.13274	9.9
175.11197	10.8
177.12727	16.4
181.12231	20.6
193.12251	14.4
195.08002	7.0
197.13252	8.3
199.12395	7.4
201.12662	14.9
207.13675	10.6
211.08653	7.0
212.09392	13.5
215.14258	10.9
219.13710	13.5
223.07373	8.0
227.11807	25.5
231.13766	12.0
240.08958	71.8
243.13657	7.9
249.14929	6.0
255.11414	42.8
261.14825	21.4
269.07886	8.9
269.12830	17.3
279.15939	22.6
283.09686	24.0
287.05521	7.6
287.13901	14.6
297.12289	57.7
297.17029	11.9
315.04898	22.3
315.08762	13.1
315.13251	69.2
315.18692	15.2
316.05765	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	315.1182
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	6.5
56.96545	1.7
61.02922	0.9
69.03413	2.6
70.06593	4.7
70.53355	0.9
71.49035	0.9
71.49454	1.0
71.51945	1.4
72.08137	1.9
75.34630	0.9
81.03388	1.3
82.06570	61.1
84.04486	1.0
84.08154	2.3
85.02901	4.9
86.09683	2.7
95.24076	0.9
97.02883	5.8
98.97562	1.5
109.02842	2.4
116.98601	1.1
128.07051	1.5
130.08710	0.9
131.04843	1.0
135.08134	1.0
137.05956	1.6
145.04839	0.9
153.06569	100.0
156.85799	0.9
167.08214	1.1
191.08133	2.3
195.07648	12.1
201.04436	1.5
219.07643	2.8
247.04794	1.4
261.08859	1.0
273.41061	0.9
283.09564	1.1
292.04745	1.2
315.10577	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	315.0474
Annotation	Unknow
Peak:m/z	Relative Intensity
51.64570	10.2
56.96555	40.4
63.98816	11.6
63.99146	11.2
68.10047	10.2
70.06581	22.3
71.34261	20.5
73.02926	12.1
84.08130	12.7
85.02906	27.1
97.02869	16.1
98.97557	19.0
108.53159	11.0
119.01859	29.1
144.66557	11.3
161.02921	19.9
164.48703	12.3
171.01353	15.7
182.99026	14.3
183.03229	14.6
185.04811	16.5
195.07980	14.0
201.04315	88.0
203.05869	39.3
213.00032	18.1
219.05386	60.6
222.40129	10.8
229.03839	44.1
247.04778	100.0
265.05975	17.7
287.89963	11.7
315.04849	17.4
315.10461	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	315.0858
Annotation	3-O-Methylalnusin
Peak:m/z	Relative Intensity
56.02631	0.3
68.99741	0.7
69.62974	1.9
84.02081	0.4
88.34991	0.3
99.00816	1.8
112.01557	2.2
127.00275	2.4
131.04839	0.3
132.05673	1.0
133.05644	0.3
133.06493	3.3
135.04405	6.2
140.01018	1.8
154.99725	1.3
161.06000	0.4
168.00520	20.8
174.06622	0.4
186.01575	17.1
201.05443	0.3
208.73158	0.3
211.05998	0.4
226.06198	0.3
227.06969	0.6
229.04846	0.6
243.09138	0.5
257.04443	3.6
269.07993	0.7
271.06039	0.6
272.06812	1.9
285.04010	1.7
297.07480	0.4
299.05472	1.2
300.06241	100.0
301.06549	2.5
315.08575	90.9
316.09076	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.2369
Annotation	9,10-Epoxy-13-hydroxy-11-octadecenoate
Peak:m/z	Relative Intensity
51.34609	13.4
54.14077	10.2
55.01856	32.9
55.05508	68.6
57.03455	12.1
57.07060	53.3
67.05501	100.0
69.07061	70.5
69.23013	90.6
69.23419	28.5
71.08611	34.2
79.05471	38.7
81.07039	65.1
83.08590	40.2
85.10186	20.6
91.05461	32.8
91.89359	12.1
93.07018	50.3
95.04928	18.8
95.08584	50.8
97.03002	13.1
97.06532	16.4
97.10156	32.1
103.05372	15.5
105.07014	19.4
107.08575	51.5
109.10128	54.0
119.08572	16.1
121.10155	18.7
123.08060	17.1
123.11703	11.8
125.09593	16.5
133.10114	17.1
135.11703	16.8
137.09608	14.4
139.11186	36.0
143.00836	12.0
151.07486	13.2
173.11815	15.1
175.03716	13.6
189.11145	16.4
242.66473	14.2
248.09464	12.1
270.05194	30.5
277.21613	54.3
295.22632	29.2
298.04932	14.7
298.10773	28.9
299.11365	26.3
313.07117	83.5
313.27319	24.5
314.13840	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	313.2369
Annotation	Octadec-9-ene-1,18-dioic-acid
Peak:m/z	Relative Intensity
55.05505	43.5
57.07083	33.2
67.05493	69.9
69.07056	47.1
69.80253	100.0
79.05491	24.5
81.07039	69.4
83.00114	17.1
90.96259	17.8
91.05475	39.6
93.07048	26.2
95.04953	14.3
95.08593	68.4
96.64832	16.0
98.20676	28.9
107.08565	30.6
109.10164	28.5
121.10126	25.3
133.10143	18.0
147.11720	17.6
189.12517	16.0
192.80855	16.7
250.46019	16.8
270.05148	29.0
277.21594	31.1
279.28305	16.3
313.07065	75.3
313.10510	25.2
313.27536	46.8
314.13852	48.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.2733
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02944	0.9
53.64612	0.8
55.05320	0.8
55.05507	8.9
57.03434	23.3
57.07071	69.8
67.05499	15.0
67.85803	1.0
69.07066	10.8
69.84570	3.0
69.84982	2.4
70.51296	0.8
71.04972	1.0
71.08628	43.3
79.05475	1.9
81.07049	20.9
81.45818	0.9
83.08612	13.4
83.09444	0.8
85.10174	24.0
89.06023	3.0
93.07030	1.2
95.08598	25.7
97.10132	7.1
98.20741	1.1
99.11697	1.5
102.51712	0.9
103.07582	1.4
107.08606	0.8
109.10153	11.5
111.11700	1.1
113.13252	1.1
117.09173	1.0
117.28962	0.8
123.11709	5.0
125.13239	1.0
137.13254	1.5
165.16339	0.9
187.17245	0.9
209.35008	1.0
239.23743	5.1
257.24677	5.7
265.25110	0.9
313.27338	100.0
314.27686	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	312.253
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	22.2
56.05019	1.7
56.05830	1.1
57.03412	3.3
57.07070	12.3
60.04518	32.9
67.05495	15.4
67.17844	0.7
69.06682	1.7
69.07059	33.8
69.53716	3.0
69.54137	2.1
70.06590	1.0
70.07388	1.8
71.04963	2.1
71.08627	5.8
79.05497	4.2
81.07046	22.2
82.07355	0.8
83.04955	1.6
83.08159	1.2
83.08612	21.3
84.08921	1.6
85.06516	2.4
85.10184	3.8
85.31487	0.6
91.05476	6.9
93.07032	5.9
94.52139	0.8
95.08595	20.7
97.06505	2.5
97.10143	10.0
98.10493	1.1
98.21587	1.3
99.08114	1.6
100.11202	1.6
105.07013	5.6
107.08598	4.0
109.06501	1.3
109.10140	11.6
111.08055	1.0
111.11687	3.2
114.12788	14.7
117.42574	0.7
119.08588	4.5
121.10105	4.8
123.07986	1.3
123.11684	4.5
125.09562	1.1
125.13231	1.2
128.14391	0.9
133.10118	6.3
135.04356	1.1
135.11650	3.4
137.09589	2.5
137.13226	2.2
139.11108	1.8
140.14316	1.2
147.11678	5.2
151.11153	2.0
151.14737	1.8
153.12769	1.4
154.12209	6.4
154.15855	1.5
156.13760	1.5
161.13220	2.2
165.12740	1.4
168.13875	0.8
168.28363	0.7
172.13329	3.1
178.05855	0.8
179.14252	1.2
210.12131	1.7
217.19456	4.4
218.19812	0.7
222.56674	0.9
235.20518	8.5
238.11606	0.8
248.66144	0.7
252.23190	16.5
270.24255	17.5
271.24472	1.0
274.90027	0.8
294.24252	4.3
312.25293	100.0
312.32495	7.8
313.06931	1.1
313.27124	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	313.2733
Annotation	Unknow
Peak:m/z	Relative Intensity
51.31025	1.3
52.60882	1.2
53.00297	1.2
55.05509	7.4
56.70745	1.1
57.03207	1.4
57.03434	15.2
57.07072	55.1
59.51530	1.2
67.05493	11.2
69.07057	11.4
69.23264	2.7
69.23679	10.9
71.08626	34.9
81.07051	13.7
83.08609	9.9
85.10168	17.4
89.05989	2.2
93.07029	1.5
95.08595	16.5
97.06506	1.4
97.10164	6.0
98.21440	3.1
99.11729	1.5
103.07556	1.9
109.10153	8.7
111.11668	1.3
123.11704	5.0
230.60783	1.3
239.23708	3.6
257.24719	3.7
266.44705	1.2
278.68539	1.3
298.10654	1.7
313.10712	1.7
313.27332	100.0
314.27701	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	313.1642
Annotation	Thymol glucoside
Peak:m/z	Relative Intensity
53.03945	2.0
55.05506	3.1
57.03439	1.5
57.07058	2.0
61.02928	1.3
67.05492	5.4
69.03432	10.1
69.07063	100.0
71.04990	1.4
71.53064	1.7
75.25055	1.4
79.05495	2.8
81.03407	3.5
81.07050	23.3
83.04971	4.9
85.02896	4.8
91.05459	1.8
93.07039	4.8
95.04961	3.0
95.08600	7.4
97.02908	6.8
99.04431	1.9
103.05414	1.7
105.06992	1.4
107.08581	3.3
109.02840	2.0
109.06530	3.4
109.10151	5.2
117.67519	1.3
119.08558	2.5
121.06499	2.0
123.08064	1.9
123.11701	32.8
127.03922	4.2
131.04919	3.4
137.06038	1.8
145.10136	1.7
151.11157	41.0
163.03876	1.2
165.07082	1.4
173.09608	1.3
198.14772	2.5
199.67734	1.2
200.10527	1.2
225.09200	1.7
229.65410	1.3
252.07799	1.9
270.09219	1.5
285.11371	1.6
295.15421	1.9
296.35928	1.1
313.03519	1.3
313.07016	2.7
313.10693	9.9
313.16748	2.3
314.14099	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.1543
Annotation	Phe Phe
Peak:m/z	Relative Intensity
53.03940	0.2
54.68832	0.1
55.05492	0.1
57.07055	0.2
57.50202	0.1
67.05499	0.3
69.07041	0.2
70.00752	0.1
70.02517	0.7
70.06571	0.3
71.08614	0.2
71.48232	0.2
81.07036	0.4
85.02849	0.2
85.99381	0.1
86.09702	0.3
91.05461	1.2
93.07040	2.1
94.07503	0.2
95.04959	0.2
95.08607	0.4
102.80293	0.2
103.05460	6.7
105.07052	0.3
107.04962	0.2
107.08540	0.2
109.10143	0.3
118.06533	0.3
120.08093	100.0
121.08459	1.3
121.10111	0.3
131.04907	0.3
137.05989	0.3
166.08624	5.3
183.08105	0.2
267.14972	0.5
313.07364	0.2
313.11295	0.5
313.15469	1.7
313.18130	0.2
313.27493	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.0703
Annotation	Aflatoxin B1
Peak:m/z	Relative Intensity
52.32877	0.5
55.05499	1.0
56.80824	0.5
57.03424	0.5
57.07063	1.1
58.74693	0.5
67.05494	0.7
71.08602	0.8
81.07044	0.9
82.16990	0.5
93.07032	0.6
95.01321	0.5
95.08568	1.0
103.05431	1.1
105.07026	0.7
107.01283	1.2
109.10130	0.6
116.83580	0.5
118.04125	0.7
123.00782	9.6
131.95546	0.4
133.06483	9.4
135.04413	3.8
141.01819	1.4
151.00230	0.8
153.01752	1.0
163.07523	0.5
181.01207	0.9
183.07922	0.5
201.83145	0.5
211.07561	1.3
227.32498	0.4
229.22531	0.6
239.07036	0.8
240.04106	0.5
242.05725	2.7
255.06528	1.2
257.07968	1.0
268.03726	0.8
270.05209	12.9
270.07990	1.0
283.05981	10.4
285.07632	2.3
298.04745	6.6
313.07022	100.0
313.27295	1.0
314.07330	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	311.2576
Annotation	2-(5-Methoxy-5-methyltetrahydro-2-furanyl)-6,10-dimethyl-5,9-undecadien-2-ol
Peak:m/z	Relative Intensity
51.23188	1.1
53.03936	2.1
55.01862	2.7
55.05507	64.3
56.05030	1.8
57.03159	1.4
57.03431	25.9
57.07073	30.9
60.04262	1.2
60.04525	14.5
64.59427	1.2
67.05499	15.0
69.07063	77.4
70.07407	1.2
70.71236	2.2
70.71556	1.4
71.08627	19.2
72.89851	1.0
73.02921	1.5
79.05482	7.7
81.07053	20.8
83.04992	2.7
83.08611	60.6
84.08961	1.9
85.06532	1.4
85.10174	8.1
87.08069	1.1
91.05464	3.3
93.07031	11.4
95.08601	16.4
97.06535	7.0
97.10162	47.4
99.08076	1.7
100.11244	2.6
107.08573	6.5
109.10127	8.8
111.08053	4.1
111.11713	15.7
114.12796	6.8
119.08575	2.3
121.10143	10.2
123.11683	4.0
125.09613	2.8
125.13270	2.6
129.05434	1.3
133.10123	1.5
135.04391	2.1
135.11653	7.8
136.04950	1.2
137.09625	1.4
137.13232	2.2
139.11104	1.9
147.11688	1.4
149.13214	3.4
153.12781	1.5
154.12248	3.3
156.13835	1.6
158.11777	1.1
161.13197	1.9
163.75070	1.0
167.14314	1.5
172.13327	2.2
175.82689	0.9
181.15900	1.4
188.82423	1.1
209.11720	4.6
217.19473	2.5
219.21077	2.4
230.56064	0.9
233.53033	1.1
235.20528	4.7
237.11295	5.5
237.22179	1.4
245.36758	1.2
252.23169	22.0
270.24252	26.8
294.24341	1.7
311.25766	100.0
312.25327	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	311.2576
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	1.8
55.01857	2.6
55.05506	63.1
57.03159	1.3
57.03429	24.1
57.06796	1.8
57.07071	33.5
58.03751	0.9
67.05494	8.7
69.07062	70.2
70.07384	1.1
70.71731	3.5
71.08627	17.8
73.02895	1.5
73.06548	1.5
79.05486	7.2
81.07047	14.3
82.93073	1.0
83.04947	2.0
83.08611	57.4
85.06535	1.2
85.10178	7.7
91.05450	1.6
93.07034	8.8
95.08595	9.4
97.06522	7.5
97.10159	43.1
105.07053	1.1
105.20376	0.9
107.08605	6.7
107.09203	0.9
109.10159	3.8
111.04414	1.1
111.08069	2.1
111.11710	12.4
121.10133	8.4
122.61707	0.9
123.11676	2.1
123.18285	1.0
125.09620	2.1
125.13270	2.9
129.05428	1.1
131.08560	1.3
135.04411	1.8
135.11705	5.9
137.13239	1.3
139.11192	2.0
149.13237	3.9
149.94145	1.1
150.13921	1.0
153.05518	1.8
153.12726	1.1
161.09583	1.5
161.50072	1.0
163.14790	1.3
188.76125	1.0
190.23926	1.1
209.11673	7.6
218.92369	1.0
219.21075	1.8
237.11108	5.1
311.25784	100.0
312.25995	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	311.2214
Annotation	Porrigenic acid
Peak:m/z	Relative Intensity
55.01865	13.4
55.05509	37.7
57.07066	23.9
67.05502	35.3
69.07065	31.0
69.58278	17.2
69.58697	9.1
70.06577	9.2
71.04982	8.2
71.08619	14.6
79.05478	22.2
81.03406	14.0
81.07044	37.0
83.04967	25.6
83.08622	19.5
85.02882	5.3
85.06534	6.7
88.07639	6.3
91.05492	21.8
93.07034	37.3
95.04961	54.0
95.08614	23.1
97.06520	7.6
97.10144	18.8
99.08108	11.9
105.07013	16.8
107.04965	8.2
107.08576	19.0
109.06499	7.5
109.10161	15.0
109.54488	5.2
111.04440	25.1
111.08071	5.7
117.07010	8.2
119.08546	12.9
120.35696	3.6
121.06467	5.7
121.10143	14.3
125.09634	13.4
131.08588	10.3
133.10126	11.0
135.08035	11.9
135.11664	8.7
137.09657	6.6
139.11127	4.5
143.08524	5.2
145.10123	7.2
147.11818	3.7
149.02350	19.6
149.09616	9.4
153.09146	6.2
159.11681	7.5
163.11179	19.5
167.10686	4.2
167.14357	4.7
174.61168	4.2
177.12746	11.0
189.11208	5.6
191.14381	3.9
193.04921	43.8
193.12228	5.8
194.05241	3.7
195.13785	10.0
196.62515	10.3
200.19966	4.9
201.12830	5.0
209.11696	5.0
210.64090	7.9
223.13268	11.1
224.65727	11.3
237.14807	40.6
247.20535	4.4
257.19138	5.7
275.20026	48.3
293.21082	100.0
311.24716	57.2
311.74622	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	311.2577
Annotation	2-(5-Methoxy-5-methyltetrahydro-2-furanyl)-6,10-dimethyl-5,9-undecadien-2-ol
Peak:m/z	Relative Intensity
53.34551	1.2
55.01855	2.1
55.05507	58.3
57.03434	24.3
57.06800	1.4
57.07073	28.7
67.05502	8.3
69.07060	60.4
70.78269	3.5
71.04964	2.5
71.08624	15.3
79.05480	6.3
81.07050	12.7
83.04951	1.4
83.08610	50.7
85.10181	6.0
91.05429	1.5
93.07043	6.4
95.08603	8.7
97.06518	5.4
97.10161	36.9
107.08578	5.3
109.10135	2.6
111.08047	2.7
111.11710	10.2
121.10131	8.5
125.09617	1.9
125.13227	2.3
126.13702	1.2
135.11673	6.9
137.13228	2.1
139.11147	1.2
149.13231	1.7
160.59361	1.1
161.40509	1.1
186.18546	1.1
205.96835	1.2
209.11708	2.1
219.21117	2.1
237.11238	2.9
237.34642	1.2
246.15439	1.2
247.46150	1.2
279.53586	1.2
288.12051	1.3
311.25769	100.0
312.26163	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	311.2213
Annotation	(9Z,12Z,15Z)-(7S,8S)-Dihydroxyoctadeca-9,12,15-trienoic acid
Peak:m/z	Relative Intensity
55.01870	13.0
55.05504	66.5
57.03431	11.5
67.05502	97.3
69.07055	42.3
70.97794	28.3
78.45155	11.2
79.05486	60.4
79.05872	10.8
81.03403	12.1
81.07043	100.0
83.04967	23.1
83.08591	40.1
88.05970	9.8
91.05459	39.0
93.07042	51.1
95.04958	13.1
95.08607	76.6
97.06519	18.5
97.10157	40.0
105.07030	43.1
107.08595	37.0
109.06540	10.1
109.10135	47.1
117.06997	21.7
119.08554	40.3
121.06485	12.8
121.10125	19.8
125.09611	22.4
131.08537	29.0
133.10132	36.8
135.11723	15.9
137.09634	13.3
145.10118	23.3
147.11739	19.1
149.09595	16.6
153.12737	10.4
159.11687	16.2
163.11107	23.0
173.11742	10.4
195.13702	12.4
239.17868	14.6
275.20041	97.4
293.20975	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	311.2213
Annotation	Porrigenic acid
Peak:m/z	Relative Intensity
53.03932	4.3
55.01868	60.8
55.05511	29.6
57.03428	7.3
57.07068	25.9
59.05005	3.4
64.48886	3.2
67.05500	33.0
68.99758	4.5
69.03388	4.0
69.07062	22.7
70.70662	7.8
70.71004	6.0
71.04987	16.3
72.08160	7.4
79.05488	38.8
81.07047	38.5
83.04977	66.6
83.08611	11.9
85.06524	5.5
91.05490	19.3
93.07037	40.7
95.04961	12.8
95.08588	22.5
97.06524	90.9
97.10154	14.3
98.24271	3.6
105.07017	15.2
107.04935	11.4
107.08582	34.2
109.06496	5.6
109.10131	12.0
111.04425	17.0
111.08057	4.1
113.05997	35.7
113.09630	4.0
115.41643	3.1
119.08528	11.3
121.10147	19.6
123.08060	5.3
125.05988	16.4
125.08775	4.1
125.09635	55.8
131.08533	5.0
133.10112	10.2
135.08127	4.5
135.11658	20.9
139.11145	18.4
145.10086	13.5
147.11682	4.7
149.02299	5.8
149.09595	10.0
153.05446	18.7
153.12718	10.5
159.11674	8.6
161.13202	8.7
163.11220	25.3
167.10641	20.0
177.12753	5.7
181.04988	6.6
181.12196	13.3
189.11188	14.8
191.10623	9.3
193.04950	9.7
205.12184	4.5
209.11711	72.2
210.12077	3.6
229.19344	4.7
237.11191	70.8
237.14915	5.4
241.14449	4.4
247.20734	3.4
251.16321	8.6
255.12181	13.2
257.18976	6.7
275.19998	38.2
293.17749	4.1
293.21060	100.0
311.24680	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	311.2212
Annotation	Porrigenic acid
Peak:m/z	Relative Intensity
53.03941	2.0
55.01867	10.0
55.05506	28.5
57.03420	2.0
57.07071	28.9
65.03920	1.0
67.05500	19.3
68.75623	0.8
68.99778	1.6
69.03427	1.7
69.07062	11.5
71.01337	1.0
71.04977	2.9
71.08603	1.1
79.05489	19.1
81.03410	5.3
81.07049	16.2
83.04971	20.9
83.08611	16.3
83.88421	0.8
85.02900	3.8
85.06539	1.3
91.05470	10.3
93.07034	15.6
95.04962	32.2
95.08595	9.5
95.51703	0.8
97.02900	1.5
97.06496	4.7
97.10170	12.0
98.20779	1.5
99.04461	4.2
101.02386	0.9
105.07020	11.3
107.04939	8.3
107.08576	20.6
108.08959	1.1
109.02879	3.2
109.06490	4.2
109.10181	5.4
111.04432	42.3
111.08092	6.8
117.07003	4.9
119.08569	8.5
121.06520	3.4
121.10149	10.9
123.08032	2.5
125.05967	9.5
125.09617	12.4
129.07013	2.6
131.08562	5.5
133.10126	6.3
135.04381	3.3
135.08032	2.7
135.11691	7.0
137.09607	1.4
139.11201	1.4
141.09012	1.0
142.81346	0.9
143.08557	1.0
145.10109	12.3
147.08017	1.9
147.11690	3.4
149.02368	1.4
149.08423	1.3
149.09599	20.8
151.75352	1.1
153.05450	18.9
153.09099	3.4
153.12750	4.0
159.11702	3.2
161.09607	1.5
161.13203	1.1
163.11171	20.2
171.10152	1.2
173.09618	1.0
173.11687	1.2
175.07512	1.3
177.12680	1.4
181.04965	3.4
181.12210	14.1
187.11232	2.1
189.11220	11.0
191.10672	18.3
193.04926	3.0
193.08620	1.1
205.12190	3.5
209.11710	100.0
210.12073	3.7
211.13242	2.4
219.10254	1.7
223.13264	36.1
227.12706	1.6
231.46977	1.0
237.11198	69.7
238.11551	3.5
239.04520	0.9
239.17889	1.9
247.20503	1.4
255.12282	13.9
257.19016	3.7
275.20041	36.0
276.20325	1.3
293.17502	5.8
293.21027	37.4
294.21399	1.1
311.18439	2.9
311.22046	4.1
311.24631	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	311.2212
Annotation	(9Z,12Z,15Z)-(7S,8S)-Dihydroxyoctadeca-9,12,15-trienoic acid
Peak:m/z	Relative Intensity
55.01870	20.9
55.05507	29.4
57.03442	5.2
57.07058	11.6
67.05502	62.9
69.07056	44.2
70.04060	8.6
70.65595	13.5
71.04983	10.3
77.75636	3.7
79.05482	39.5
81.07044	100.0
83.04965	9.3
83.08610	13.6
85.06530	8.3
91.05485	24.2
93.07038	35.4
95.04940	25.6
95.08607	53.9
97.06511	16.6
99.08096	5.5
105.07015	34.3
107.04952	13.3
107.08585	20.1
108.49173	3.8
109.06506	16.3
109.10136	21.7
111.04399	8.1
111.08066	6.9
117.07011	6.2
119.08603	26.4
121.06451	6.9
121.10120	17.6
123.08067	16.3
123.11683	11.3
125.09618	7.1
126.65579	3.8
129.51167	3.9
131.08588	12.6
133.10104	22.6
135.07986	9.2
135.11670	9.9
137.09639	9.9
137.13231	6.1
145.10165	9.9
147.11658	22.5
149.09622	10.3
149.13220	4.5
159.11693	8.6
163.11179	11.0
165.12729	9.1
173.13284	4.3
177.12758	4.6
209.11751	22.0
229.19507	5.8
237.11237	16.9
237.14885	8.8
247.20563	10.7
257.18921	9.2
275.20053	62.4
293.21075	45.3
311.21967	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	311.2213
Annotation	trans-EKODE-(E)-Ib
Peak:m/z	Relative Intensity
51.93130	2.9
55.01627	4.9
55.01868	61.8
55.05508	29.0
57.03434	6.3
57.07076	19.9
66.12418	4.3
67.05496	54.6
69.07069	31.9
71.04976	13.4
71.26068	7.2
77.76154	3.5
79.05486	37.4
81.03430	3.8
81.07055	51.9
83.04563	5.2
83.04982	57.2
83.07909	3.3
83.08633	16.0
91.05475	21.6
93.07043	45.0
94.48526	3.8
95.04969	12.5
95.08598	27.9
97.06526	100.0
97.10165	13.0
105.07029	19.7
106.76929	3.1
107.08595	40.6
109.06509	7.3
109.10152	27.0
111.04440	16.5
111.08078	9.6
113.05983	24.6
117.07021	10.6
119.08568	13.9
121.06467	6.1
121.10165	18.0
125.05988	14.4
125.09625	47.3
131.08539	9.6
133.10086	9.8
135.08015	5.3
135.11670	17.6
137.09648	8.9
137.13234	3.5
139.11162	14.8
141.90413	3.5
145.10117	11.7
147.11694	4.6
149.09584	16.6
153.05446	12.7
153.12721	6.6
159.11649	4.0
161.13297	4.6
163.11172	14.3
167.10635	15.8
171.11632	4.2
177.12802	8.0
179.14365	4.2
181.12166	8.1
189.11235	11.0
191.10706	7.3
209.11682	49.8
220.21992	3.2
223.13277	8.2
237.11195	49.1
255.12114	8.1
257.18964	5.9
275.20056	49.2
293.17654	5.2
293.21039	76.6
311.21970	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	311.2212
Annotation	9(S)-HpOTrE
Peak:m/z	Relative Intensity
53.03936	2.9
55.01865	10.7
55.05518	17.7
57.07065	14.1
57.86844	2.7
67.05493	26.7
69.07062	20.8
77.17879	3.3
79.05479	13.2
80.33570	2.5
81.07047	35.8
83.04977	11.0
83.08582	8.3
90.02740	3.3
91.05488	17.3
93.07036	21.5
95.04964	8.1
95.08581	22.3
97.06533	4.7
97.10126	3.6
105.07030	21.3
107.04948	7.4
107.08577	18.7
109.06508	8.9
109.10134	11.1
111.04434	13.6
111.08086	8.7
117.07040	7.2
119.08569	9.7
121.06490	11.0
121.10137	12.2
123.08060	5.0
123.77650	3.1
125.06006	5.9
125.09557	2.9
131.08554	19.3
133.06493	4.1
133.10120	16.3
135.11700	5.2
135.88336	3.2
145.10139	11.6
147.08034	3.7
147.11664	11.6
149.09616	7.8
151.11208	4.2
153.05415	5.8
159.11710	6.3
161.09610	4.5
163.11153	9.1
173.13293	6.1
181.12323	4.6
187.11159	3.8
191.10620	8.8
191.14217	3.7
209.11708	42.5
219.13765	5.7
229.19226	3.4
233.15259	3.0
234.16042	3.5
237.11208	36.7
255.12244	8.6
257.18991	13.3
275.20047	100.0
276.20529	3.8
293.21078	40.0
326.54559	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	311.1487
Annotation	Unknow
Peak:m/z	Relative Intensity
51.94195	1.2
53.03927	1.3
55.01855	1.7
55.05500	3.2
56.96555	1.7
57.03420	4.8
58.45213	1.3
61.02925	2.9
64.14550	1.2
67.05505	3.5
69.03429	14.3
69.07076	2.5
69.36766	13.6
70.06584	13.0
71.04994	1.5
72.08140	4.6
73.02934	1.9
79.05480	5.6
81.03403	5.3
81.07047	3.6
83.04977	1.9
84.04488	3.1
84.08137	2.8
85.02896	52.1
86.09719	10.9
91.05464	9.5
93.07036	9.3
95.04951	5.8
95.06081	1.4
95.08598	3.0
96.08092	1.8
97.02888	11.4
97.06612	1.3
99.04421	2.5
100.59094	1.3
103.03962	3.9
103.05447	3.1
105.03396	11.3
105.07029	5.9
107.04943	5.5
107.08577	2.8
109.02853	7.1
109.04047	1.5
109.06509	13.8
110.07145	1.5
111.08079	1.8
117.06968	2.0
119.04985	1.6
119.08562	3.8
120.08080	8.9
121.06494	51.9
121.10136	11.1
122.06062	2.7
123.08108	1.6
124.07578	5.3
127.03893	10.7
129.10185	1.6
130.04980	1.8
131.04961	2.2
131.08565	3.5
133.06493	2.3
133.10046	1.6
137.05963	6.0
144.05618	1.9
145.04965	2.9
145.06499	1.8
145.10152	3.1
149.05984	2.6
149.09607	100.0
150.05489	2.2
150.09932	1.9
158.07237	1.5
159.08054	8.6
161.09595	3.9
173.09601	7.0
175.07541	1.4
175.11102	1.6
177.05571	1.6
187.07506	1.4
191.10596	2.0
192.06589	1.7
197.09776	2.1
210.07640	1.5
219.08034	3.8
251.10716	2.1
276.12375	2.9
279.10336	2.1
280.11227	1.2
294.13354	2.4
311.12827	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2213
Annotation	(9Z,12Z,15Z)-(7S,8S)-Dihydroxyoctadeca-9,12,15-trienoic acid
Peak:m/z	Relative Intensity
55.01869	27.3
55.05508	71.5
57.03430	10.7
57.07076	7.4
66.94576	4.4
67.05501	56.9
69.03407	10.1
69.07068	30.5
70.12399	22.1
71.05005	9.9
71.08613	22.7
79.05489	44.5
81.03423	21.0
81.07053	64.1
83.04971	29.2
83.08615	44.7
84.08158	6.0
85.06530	6.2
91.05474	32.5
93.07038	33.8
95.04977	30.8
95.08591	34.9
95.47384	4.8
97.06507	34.9
97.10159	42.1
99.08098	29.0
105.07041	26.1
106.90472	4.3
107.04970	7.0
107.08572	38.1
109.06510	11.7
109.10155	17.1
111.04415	11.3
111.08083	18.3
113.05969	8.7
113.51334	4.3
117.07021	10.9
119.08575	19.9
121.10110	12.5
123.08086	10.6
123.11728	10.5
125.09613	46.8
129.07010	4.9
131.08588	15.7
133.10127	13.7
134.99557	4.7
135.08064	6.3
135.11679	17.8
137.09592	6.4
137.67027	4.4
139.11200	6.9
145.10083	9.9
147.11707	12.9
149.09645	21.4
149.13264	5.5
153.09128	5.9
153.12775	7.0
159.11681	9.6
163.11179	35.6
167.10609	5.0
173.13194	6.3
177.12755	10.2
189.11246	17.6
193.12285	11.0
195.13789	15.6
209.11783	6.8
211.13326	5.0
223.13315	9.0
250.64890	5.1
257.18967	5.2
275.20081	51.8
293.21091	100.0
293.24335	8.7
311.22110	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	311.1276
Annotation	Unknow
Peak:m/z	Relative Intensity
52.53448	1.2
53.03926	3.3
55.01853	3.1
55.05490	3.7
56.96534	2.0
57.03416	3.0
57.07054	2.0
59.04989	1.4
62.32984	1.5
62.38035	1.2
66.04711	1.6
66.08105	1.4
67.05495	9.4
69.03434	7.4
69.07041	4.1
70.06394	3.1
71.04967	3.8
73.02898	2.2
79.05482	15.7
81.03385	4.5
81.06649	1.7
81.07050	18.0
83.04964	3.1
83.08594	2.1
84.08142	1.6
85.02865	5.6
85.06507	1.6
86.09692	3.0
91.05477	15.4
93.07040	21.9
94.04176	5.7
95.04951	4.6
95.08595	8.2
97.02866	4.7
97.06511	2.0
99.04404	2.7
103.05450	5.7
105.07027	19.5
107.04929	3.1
107.08585	10.3
109.02840	2.4
109.06506	7.4
109.10115	4.6
111.04456	1.6
115.03973	1.3
115.05434	2.7
116.06187	1.7
117.03285	1.5
117.06969	3.2
119.08587	7.9
120.08068	3.0
121.06460	4.1
121.10142	53.3
122.03642	11.3
123.08044	3.7
123.11677	5.5
125.05988	1.7
127.03912	3.0
127.05430	1.6
128.06149	2.5
129.07014	6.5
129.07832	1.3
131.04890	1.6
131.08528	6.1
133.06488	5.0
133.10126	1.7
135.11635	3.0
137.05965	100.0
138.06331	3.0
139.11163	2.2
144.05670	3.6
145.06499	2.9
145.10097	2.0
147.07974	4.3
147.11577	1.7
149.05937	6.1
149.09595	9.3
151.07497	4.0
155.04906	6.9
155.08559	2.3
159.08087	8.5
161.05988	9.4
161.13185	4.0
162.05478	8.3
163.11234	1.8
165.06947	5.1
167.10667	10.2
172.05089	2.8
174.02565	1.3
175.07523	4.5
177.05438	2.7
178.07700	1.9
179.08501	2.0
180.09250	2.5
187.07539	28.7
189.07066	6.9
189.08678	1.7
190.07732	25.1
191.08551	52.8
192.08916	2.1
200.90744	1.4
202.07716	2.6
203.08507	2.5
205.06453	4.9
207.08076	6.7
208.06070	3.3
208.08742	8.2
218.07280	15.3
219.08041	64.0
220.08653	10.0
221.05945	2.4
222.06706	1.5
223.11267	1.7
225.09109	2.3
229.07486	1.5
233.09550	2.7
235.07591	7.9
236.08273	16.4
237.08968	2.9
238.06186	1.9
247.07550	24.5
248.08017	4.8
249.08931	1.8
250.09813	1.7
251.10657	85.3
252.10956	5.5
253.08540	9.4
261.09052	4.0
263.06931	2.3
264.07809	9.5
265.08493	6.0
267.10126	1.5
268.10748	2.7
278.09473	1.5
279.10150	73.2
280.10666	9.2
281.08109	13.2
283.09525	1.6
293.20935	1.9
296.10495	15.4
311.09589	2.9
311.12680	72.3
312.13065	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	309.2785
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01837	12.9
55.05507	48.6
57.03417	9.0
57.07065	17.5
67.05498	41.1
69.03408	9.3
69.07060	61.7
69.40052	12.0
69.40462	52.3
70.06575	9.1
71.08615	7.8
79.05496	39.7
81.07042	100.0
83.04971	34.7
83.08597	33.1
85.02905	10.0
85.06519	11.2
91.05445	23.0
93.07051	44.8
95.04945	16.8
95.08611	77.7
97.10156	15.5
98.20759	13.5
101.06037	9.0
101.54781	6.9
105.07016	29.9
107.04933	10.0
107.08595	37.2
109.06500	16.3
109.10145	44.0
111.08051	24.1
119.08547	27.4
119.44884	8.0
121.06487	8.1
121.10127	24.9
123.08005	21.7
123.11703	27.8
125.02381	7.2
127.03761	7.2
128.48334	7.0
131.08545	14.6
133.10098	20.9
135.11678	12.8
137.09601	14.2
137.13226	10.7
139.11125	8.5
145.10046	12.1
147.07997	11.0
147.11661	14.3
149.09581	13.4
157.10063	7.5
161.13281	12.7
171.11673	10.0
207.40706	8.1
209.18977	8.9
228.10022	9.5
234.06680	11.2
249.09090	14.3
251.07127	8.5
252.67386	7.2
273.18460	14.5
277.08511	27.5
281.11694	8.0
291.19492	30.0
291.26770	29.9
294.09003	10.2
309.07770	7.9
309.11212	27.4
317.41022	8.5
334.72525	8.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.1276
Annotation	Unknow
Peak:m/z	Relative Intensity
52.53448	1.2
53.03926	3.3
55.01853	3.1
55.05490	3.7
56.96534	2.0
57.03416	3.0
57.07054	2.0
59.04989	1.4
62.32984	1.5
62.38035	1.2
66.04711	1.6
66.08105	1.4
67.05495	9.4
69.03434	7.4
69.07041	4.1
70.06394	3.1
71.04967	3.8
73.02898	2.2
79.05482	15.7
81.03385	4.5
81.06649	1.7
81.07050	18.0
83.04964	3.1
83.08594	2.1
84.08142	1.6
85.02865	5.6
85.06507	1.6
86.09692	3.0
91.05477	15.4
93.07040	21.9
94.04176	5.7
95.04951	4.6
95.08595	8.2
97.02866	4.7
97.06511	2.0
99.04404	2.7
103.05450	5.7
105.07027	19.5
107.04929	3.1
107.08585	10.3
109.02840	2.4
109.06506	7.4
109.10115	4.6
111.04456	1.6
115.03973	1.3
115.05434	2.7
116.06187	1.7
117.03285	1.5
117.06969	3.2
119.08587	7.9
120.08068	3.0
121.06460	4.1
121.10142	53.3
122.03642	11.3
123.08044	3.7
123.11677	5.5
125.05988	1.7
127.03912	3.0
127.05430	1.6
128.06149	2.5
129.07014	6.5
129.07832	1.3
131.04890	1.6
131.08528	6.1
133.06488	5.0
133.10126	1.7
135.11635	3.0
137.05965	100.0
138.06331	3.0
139.11163	2.2
144.05670	3.6
145.06499	2.9
145.10097	2.0
147.07974	4.3
147.11577	1.7
149.05937	6.1
149.09595	9.3
151.07497	4.0
155.04906	6.9
155.08559	2.3
159.08087	8.5
161.05988	9.4
161.13185	4.0
162.05478	8.3
163.11234	1.8
165.06947	5.1
167.10667	10.2
172.05089	2.8
174.02565	1.3
175.07523	4.5
177.05438	2.7
178.07700	1.9
179.08501	2.0
180.09250	2.5
187.07539	28.7
189.07066	6.9
189.08678	1.7
190.07732	25.1
191.08551	52.8
192.08916	2.1
200.90744	1.4
202.07716	2.6
203.08507	2.5
205.06453	4.9
207.08076	6.7
208.06070	3.3
208.08742	8.2
218.07280	15.3
219.08041	64.0
220.08653	10.0
221.05945	2.4
222.06706	1.5
223.11267	1.7
225.09109	2.3
229.07486	1.5
233.09550	2.7
235.07591	7.9
236.08273	16.4
237.08968	2.9
238.06186	1.9
247.07550	24.5
248.08017	4.8
249.08931	1.8
250.09813	1.7
251.10657	85.3
252.10956	5.5
253.08540	9.4
261.09052	4.0
263.06931	2.3
264.07809	9.5
265.08493	6.0
267.10126	1.5
268.10748	2.7
278.09473	1.5
279.10150	73.2
280.10666	9.2
281.08109	13.2
283.09525	1.6
293.20935	1.9
296.10495	15.4
311.09589	2.9
311.12680	72.3
312.13065	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	309.2782
Annotation	2,10-Dimethyl-7-(3-methylbutyl)-6-methylenedodecane
Peak:m/z	Relative Intensity
53.00302	1.2
53.03939	2.4
55.01858	4.2
55.05507	34.9
57.03419	3.2
57.06799	1.2
57.07072	26.7
59.04977	5.8
67.05503	39.5
69.03423	3.5
69.07063	93.3
70.07378	1.4
70.68436	3.7
71.04999	8.1
71.08625	13.2
73.06550	2.5
78.45953	1.3
79.05482	18.8
81.03381	2.5
81.07049	100.0
82.07372	2.0
83.04954	3.8
83.08154	2.3
83.08614	38.4
85.06533	18.2
91.05478	8.1
93.07035	36.9
93.07628	2.3
95.04952	5.2
95.08598	81.3
96.08953	1.3
97.06529	8.7
97.10164	10.3
99.08083	8.8
100.11232	5.1
105.07028	13.3
106.07506	1.4
107.08580	33.7
109.06510	4.8
109.10151	43.5
111.08076	31.9
111.11674	6.6
113.09641	1.5
116.98592	1.6
119.08576	12.0
121.10127	23.1
123.08042	3.1
123.11694	42.2
125.09580	6.0
125.13258	2.5
133.10117	5.9
135.11682	20.8
137.13248	15.0
139.11179	5.6
141.12666	1.6
143.14268	3.0
147.08090	1.5
147.11678	9.4
148.79395	1.3
149.13225	13.6
151.11148	1.9
151.14789	3.2
153.12729	9.0
161.13257	4.9
163.14806	5.8
163.79555	1.3
165.12769	7.1
165.16393	1.7
167.14336	2.3
175.14836	3.3
177.16377	6.1
179.14285	3.1
179.17856	2.0
182.15379	7.9
189.16327	2.8
191.17982	4.5
203.17998	2.3
204.62825	1.3
205.19493	1.7
209.18944	3.0
210.14862	2.6
217.19482	2.5
228.15994	2.2
237.80196	1.3
249.09239	1.8
257.12347	1.3
273.25745	5.4
277.08517	2.6
279.26886	1.9
291.19540	3.0
291.26767	17.9
309.11115	5.8
309.21024	1.4
309.27863	21.8
310.28302	1.8
328.96014	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.221
Annotation	Callyspongenol A
Peak:m/z	Relative Intensity
53.03938	10.5
55.05508	23.0
57.03426	6.1
57.07067	5.3
59.04995	5.1
65.03954	6.8
67.05497	32.3
69.07060	21.2
71.53282	9.9
72.47058	5.2
78.37408	5.8
79.05487	40.5
81.07047	44.3
83.04990	6.9
83.08613	16.0
86.50886	5.5
91.05456	31.4
93.07044	58.0
95.04961	36.6
95.08577	44.5
95.49608	5.1
97.06523	21.8
97.10138	7.3
105.07019	75.6
107.04927	13.1
107.08598	35.3
109.06512	12.8
109.10149	24.7
112.87560	5.5
117.06996	16.1
119.08577	46.5
121.06516	10.2
121.10126	100.0
123.08077	13.9
123.11764	6.9
127.84001	5.5
128.06296	6.4
129.07013	8.6
131.08585	31.3
133.10130	43.9
135.11679	11.1
137.03928	5.0
142.07756	10.5
143.08548	26.7
145.10127	35.2
147.11696	11.6
149.09579	5.9
149.29092	5.4
155.08556	7.1
156.09396	7.7
157.10147	26.3
159.08014	10.7
159.11681	31.7
161.09593	10.1
169.10138	15.2
171.11639	12.8
173.13281	18.3
183.11713	8.1
185.13269	13.3
187.11288	8.0
187.14798	13.3
195.11742	9.7
197.13354	9.1
199.14830	8.8
209.13263	7.1
217.10484	5.3
282.42032	5.7
309.21957	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	309.2784
Annotation	2,10-Dimethyl-7-(3-methylbutyl)-6-methylenedodecane
Peak:m/z	Relative Intensity
53.03942	2.5
55.01863	4.2
55.05503	30.2
57.03428	3.3
57.07071	19.6
59.04708	2.2
59.04994	29.1
65.03947	1.4
67.05498	34.6
67.98599	1.2
69.03415	6.8
69.07062	84.7
70.06568	1.8
70.44188	2.4
70.44566	2.1
71.04974	5.3
71.08617	9.8
73.06541	2.2
78.25164	1.1
79.05482	18.3
81.03420	1.4
81.07047	100.0
82.07390	1.9
83.04978	2.8
83.08611	40.5
83.91865	1.3
85.06529	15.2
85.10173	1.7
91.05455	10.3
93.07033	34.9
95.04944	5.5
95.08596	79.0
96.08918	2.2
97.06528	11.1
97.10151	11.0
98.97591	1.3
98.98429	1.3
99.04477	1.6
99.08090	11.4
100.11220	1.3
105.07012	15.8
107.08581	33.4
108.08875	1.4
109.02847	2.0
109.06518	4.5
109.10148	40.0
111.08070	33.3
111.11696	8.6
113.09610	1.5
115.07594	1.2
117.07011	1.6
117.09119	4.8
119.08568	12.7
121.06490	2.6
121.10124	21.1
123.04379	2.1
123.08062	4.0
123.11693	42.2
124.12011	1.4
125.09621	6.6
125.13251	3.4
127.03881	1.3
129.07001	1.5
131.08522	1.6
133.10120	8.8
135.07988	2.3
135.11674	19.2
137.09601	3.7
137.13246	16.5
138.11989	1.2
139.11171	5.8
141.12709	1.6
143.14349	1.4
145.10101	2.8
147.04434	1.5
147.08105	1.2
147.11630	11.0
149.09595	2.5
149.13260	14.9
151.11200	2.8
151.14807	3.9
153.12746	8.6
159.11664	1.4
161.13248	7.9
163.11092	1.3
163.14796	9.2
165.12755	6.9
165.16260	1.4
167.14305	2.5
171.13823	2.1
175.11215	1.6
175.14868	3.8
177.05446	2.9
177.16350	4.4
179.14275	3.1
179.17981	1.7
183.13829	1.3
189.06990	1.6
189.16353	2.7
191.18040	2.0
193.15871	2.6
193.19304	1.5
203.08698	1.3
203.18027	1.9
205.06445	1.6
205.19424	1.6
206.07291	2.3
207.17471	1.3
209.18904	2.4
217.19383	1.7
234.06775	2.0
249.09038	3.8
257.63483	1.4
257.71848	1.2
262.06204	2.0
273.18576	1.9
273.25720	5.1
277.08597	4.7
279.26785	2.9
281.11707	3.8
291.19556	3.2
291.26776	19.0
294.08569	1.6
301.33670	1.2
303.05838	1.5
309.07562	1.8
309.11038	11.1
309.20544	5.6
309.27823	24.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2057
Annotation	12,13-trans-Epoxy-9-oxo-10E,15Z-octadecadienoic acid
Peak:m/z	Relative Intensity
52.42030	9.3
53.63675	12.0
55.01853	29.3
55.05490	38.3
57.07074	20.1
67.05499	100.0
69.07054	38.1
71.03214	22.3
79.05470	46.4
81.03393	12.8
81.07045	94.3
83.04974	16.5
83.08646	15.3
84.64618	9.9
91.05483	64.6
93.07030	51.4
95.04972	17.2
95.08585	57.9
97.10150	17.4
97.62453	9.3
98.97611	12.5
105.07018	53.9
107.04940	22.2
107.08593	59.2
109.06521	23.6
109.10146	81.5
111.04458	15.9
116.98681	11.0
119.08565	27.1
121.10133	17.1
123.08041	20.2
123.11727	11.4
125.09590	11.9
129.06941	13.9
131.08557	20.6
133.06461	10.1
133.10078	66.7
138.61345	10.5
147.11714	11.7
149.09558	13.8
151.11130	48.8
161.09583	16.0
175.11148	11.8
181.08585	12.7
211.56134	10.1
212.89905	11.5
263.20123	15.2
273.18469	30.8
291.19431	73.2
309.20679	19.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2056
Annotation	12,13-trans-Epoxy-9-oxo-10E,15Z-octadecadienoic acid
Peak:m/z	Relative Intensity
53.03938	3.9
55.01863	29.5
55.05511	16.8
57.03424	8.4
65.03934	1.7
67.05495	35.3
69.03417	2.1
69.07062	13.3
70.23142	7.4
70.62810	1.3
71.04990	3.8
79.05482	19.2
81.03415	9.4
81.07043	19.7
83.04967	28.1
83.08617	4.3
85.06541	2.1
91.05463	17.4
93.07036	22.9
95.04970	11.6
95.08601	21.5
95.93538	1.5
97.06515	23.3
97.10164	3.9
99.04433	18.0
99.08081	5.5
105.07017	16.5
107.04955	9.1
107.08590	12.8
109.06504	7.6
109.10143	13.3
111.04429	100.0
111.08092	4.4
111.88297	1.6
117.07014	6.4
119.08586	7.6
121.06512	5.0
121.10146	7.1
123.08074	3.8
125.09633	6.5
127.07550	2.7
129.06992	3.5
131.08543	6.8
133.06436	1.8
133.10089	12.5
135.08023	8.0
135.11653	2.5
137.09622	9.3
139.07472	1.9
143.08575	3.7
145.10126	6.0
147.08043	2.7
147.11644	3.5
149.09605	10.2
151.11185	4.8
153.09081	20.3
157.10097	3.6
159.11688	2.9
161.09612	6.1
162.52542	1.5
163.11269	2.2
171.11694	3.6
173.11729	3.0
173.13174	1.7
175.11180	5.2
189.12845	2.3
193.12221	2.3
217.15852	2.7
221.15343	2.9
227.17984	3.1
245.19011	4.6
249.34927	1.9
263.20111	4.8
273.18491	14.4
288.50204	1.6
291.19470	32.2
309.20575	20.7
313.29205	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2056
Annotation	12,13-trans-Epoxy-9-oxo-10E,15Z-octadecadienoic acid
Peak:m/z	Relative Intensity
53.03948	2.4
55.01862	2.3
55.05500	7.1
56.96525	2.2
57.03189	2.2
57.03433	23.3
57.62218	1.6
59.04998	1.8
64.55051	1.7
67.05499	22.4
69.07060	10.7
69.76460	1.8
70.94936	3.8
70.95274	2.2
71.04978	3.8
79.05468	11.3
79.73870	1.9
81.03435	2.3
81.07040	21.4
82.31845	1.7
83.04990	2.9
83.08593	5.7
85.02910	2.1
85.06534	26.4
88.78740	1.7
91.05479	9.6
93.07029	13.2
95.04961	23.2
95.08599	15.5
96.68120	1.8
97.06527	3.9
97.10143	3.0
98.97554	2.2
99.08035	3.3
105.07007	9.0
107.04951	2.7
107.08577	7.4
107.66205	1.7
109.06508	11.3
109.10129	8.4
111.08057	3.3
113.05996	100.0
117.07003	5.0
119.08566	5.7
121.06468	2.5
121.10135	6.5
123.08036	3.6
123.11684	4.1
125.09656	3.8
128.98628	1.7
131.08543	5.4
133.10107	3.5
135.08028	6.5
135.11636	2.8
137.09564	2.3
137.13237	2.6
143.04739	1.8
143.08488	2.3
145.10074	5.2
147.04431	3.7
147.11775	2.0
149.09572	3.0
149.13213	3.2
157.10069	2.9
159.11714	3.4
161.09634	2.9
163.11147	2.0
165.09164	2.8
168.44141	2.1
179.10622	1.9
199.59969	1.9
200.11687	1.9
217.15794	4.2
235.16695	1.9
255.17377	2.1
273.18530	9.0
277.08411	2.2
291.19455	16.0
291.81961	1.8
309.11298	2.7
309.20551	6.7
321.27612	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2057
Annotation	Corchorifatty acid B
Peak:m/z	Relative Intensity
52.30262	1.7
53.03941	2.3
55.01865	6.1
55.05508	30.7
57.03437	1.9
58.84586	1.7
65.16597	1.8
67.05235	1.8
67.05503	19.4
68.49600	2.0
69.03438	4.6
69.07067	13.9
71.04988	3.3
71.52412	2.7
79.05489	16.6
81.03427	3.5
81.07049	28.1
83.04971	6.2
83.08609	14.1
85.06580	1.9
88.24963	2.3
91.05457	9.4
93.07049	15.0
95.01331	2.3
95.04966	7.4
95.08604	9.9
97.06522	5.9
97.10165	21.4
105.07025	7.9
107.04945	4.1
107.08582	13.9
109.06509	3.1
109.10141	4.4
111.04478	4.7
111.08037	4.5
116.98686	2.2
117.06989	4.1
119.04926	2.0
119.08571	8.8
121.06523	3.3
121.10124	6.7
123.08020	9.0
125.09638	18.4
128.26694	1.9
131.08592	4.6
133.06493	2.2
133.10152	4.1
135.08093	2.5
137.05946	6.7
137.09648	3.2
139.11198	1.7
145.10095	5.8
147.08067	5.4
147.11649	3.9
149.09607	2.4
153.09079	2.1
161.09560	3.4
163.11150	2.4
165.09096	5.0
181.12292	2.4
189.11237	11.5
189.12776	3.1
245.18947	2.1
273.18451	15.0
285.94919	2.0
291.19522	100.0
292.19965	5.5
309.20569	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	309.2056
Annotation	Corchorifatty acid B
Peak:m/z	Relative Intensity
53.55883	4.3
54.37295	3.9
55.01862	18.9
55.05505	32.1
56.98566	4.1
57.03432	5.9
65.21004	3.8
66.69590	4.5
67.05502	35.4
69.07063	13.3
69.84987	16.8
69.91687	3.9
79.05490	50.4
79.27949	3.9
80.39221	3.6
81.03416	8.6
81.06593	5.7
81.07049	81.0
83.04967	34.4
83.08600	14.5
85.02885	11.2
85.57561	3.7
91.05474	23.8
93.07049	35.7
95.04958	20.5
95.08592	19.2
97.06488	6.1
97.10145	13.8
99.04435	8.1
105.06997	18.1
106.04949	4.7
107.04940	6.8
107.08571	22.4
109.06516	13.6
109.10157	10.4
111.04434	50.4
111.08051	18.3
117.06994	16.7
117.12424	4.4
119.08572	32.7
120.79810	3.9
121.06487	11.6
121.10130	13.7
123.08052	8.6
123.88433	5.3
125.05960	4.0
125.09624	11.4
129.07008	7.0
131.08545	14.0
133.06531	5.5
135.08044	10.1
135.11700	12.7
145.10080	24.6
147.08029	16.8
149.09573	7.7
153.12758	15.3
157.10074	6.1
161.09535	7.3
163.11188	20.7
173.09692	5.5
181.12209	30.6
189.11211	9.1
191.10611	21.6
196.32356	4.3
223.13193	5.5
227.12764	12.7
245.18988	4.7
249.14819	11.1
255.17421	5.3
273.18469	35.9
291.19543	100.0
292.19797	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2057
Annotation	12,13-trans-Epoxy-9-oxo-10E,15Z-octadecadienoic acid
Peak:m/z	Relative Intensity
53.03932	3.3
55.01865	15.9
55.05514	27.6
57.03412	7.2
57.07067	3.3
59.04984	4.1
62.07905	2.8
65.03925	3.1
67.05502	48.8
69.03407	3.8
69.07053	12.8
69.79652	18.5
71.04980	8.8
71.08607	4.2
79.05485	38.9
81.03417	5.9
81.06594	6.0
81.07047	93.1
83.04963	29.3
83.08633	16.9
84.05338	2.9
85.02898	9.5
85.06490	6.0
91.05478	20.7
93.07030	30.7
95.04961	13.9
95.08598	28.4
97.06507	7.6
97.10142	11.9
98.20841	4.6
98.97597	3.1
99.04442	7.4
99.08076	4.7
105.07018	19.4
107.04943	7.9
107.08567	20.6
109.06508	25.5
109.10161	14.7
111.03709	4.3
111.04430	44.7
111.08059	12.9
117.07011	14.4
119.08573	28.6
121.06481	7.3
121.10147	15.1
123.08036	9.8
123.11643	3.6
125.05946	3.5
125.09602	6.9
129.05507	5.1
129.06982	5.9
131.08543	13.1
133.10147	5.4
135.08035	9.1
135.11664	10.0
137.09601	4.9
143.08498	6.1
145.10144	16.9
147.08041	15.5
147.11670	4.9
149.09601	4.3
153.12721	8.6
157.10100	4.9
161.09569	6.8
163.11186	18.9
165.09088	5.6
173.09515	3.4
181.12233	17.7
187.11195	3.7
189.00636	3.5
189.11221	8.1
191.10663	13.7
217.19434	3.5
223.13292	6.2
227.12738	7.1
249.14847	10.0
249.23271	5.2
273.18478	37.2
291.16153	5.8
291.19498	100.0
292.19873	5.3
309.20535	11.4
309.24207	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	308.2217
Annotation	Dihydrocapsaicin
Peak:m/z	Relative Intensity
50.62860	0.3
57.07062	0.7
57.07513	0.3
65.74194	0.3
67.05496	0.5
69.07056	0.9
71.08618	0.9
76.02230	0.3
79.05473	0.9
81.07051	2.3
91.05462	0.5
94.04185	2.6
95.08590	1.0
97.06548	0.3
97.10175	0.3
107.04938	0.4
107.08617	0.3
109.06495	0.5
109.10193	0.3
111.37514	0.3
122.03642	7.0
123.02401	0.4
129.65703	0.3
137.05966	100.0
137.13205	0.5
138.06291	2.1
139.06461	0.3
155.14368	0.4
172.16968	1.4
184.16946	2.7
196.14215	0.3
222.97464	0.3
276.55023	0.2
291.23203	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2056
Annotation	Corchorifatty acid B
Peak:m/z	Relative Intensity
53.03930	2.3
55.01868	67.7
55.05515	20.2
57.03412	3.7
57.07054	1.7
59.24682	1.6
65.03933	1.9
67.05137	2.3
67.05495	40.6
69.03405	4.4
69.07062	21.8
70.58321	4.1
70.58707	3.5
71.04972	4.7
79.05486	19.1
81.03400	10.9
81.07050	21.5
83.04491	2.6
83.04969	35.7
83.08601	7.8
91.05473	21.6
93.07034	23.6
95.04961	24.1
95.08598	19.1
95.78481	1.8
97.06521	57.9
97.10141	7.4
99.04442	20.4
99.08056	2.1
105.07002	13.9
107.04940	11.0
107.08579	14.9
109.06528	4.3
109.10136	18.5
111.04432	100.0
111.08057	3.8
112.04759	2.3
113.05950	2.5
117.06995	4.6
119.08571	10.8
120.61697	2.0
121.06489	3.9
121.10138	7.0
123.08018	7.6
125.05950	2.6
125.09629	7.0
125.78159	1.6
129.07007	3.9
131.08536	7.0
133.06462	2.8
133.10123	10.9
135.08014	5.9
135.11723	3.6
137.09598	17.2
143.08537	3.7
145.10103	3.4
145.72572	1.7
147.07957	2.2
147.11646	2.6
149.09598	16.1
153.09084	18.4
157.10118	2.4
159.11647	2.3
161.09596	7.9
161.13182	1.9
163.11153	3.8
171.11702	3.2
173.11734	4.2
175.11143	6.2
175.14828	2.2
177.12631	3.1
179.10672	2.5
185.13217	1.9
189.09349	1.8
189.11139	2.7
189.12750	4.1
193.12207	5.5
205.81671	1.7
213.12778	2.4
221.15384	2.4
227.17865	3.3
229.47310	1.7
235.13284	2.3
245.18979	3.3
249.14775	3.4
255.17380	4.7
258.92313	1.6
263.20038	8.3
267.15921	2.8
273.18454	21.1
291.19525	49.4
292.19812	3.1
309.20590	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	308.0907
Annotation	Glutathione
Peak:m/z	Relative Intensity
52.49116	0.8
56.05031	1.7
56.96556	2.8
57.98788	1.4
58.99289	1.4
58.99580	16.4
70.45683	1.8
73.71524	0.7
76.02221	100.0
76.03983	2.7
80.05009	1.6
83.06105	1.0
84.04495	41.1
84.08131	0.8
85.02876	0.8
85.04836	0.8
85.10910	0.7
86.99052	3.9
88.02210	1.8
98.00642	0.7
98.97603	0.9
100.99131	0.7
101.20431	0.7
102.05507	0.8
110.97540	0.9
114.03722	1.0
116.01667	20.5
116.02482	1.4
127.59101	0.9
130.04994	14.3
131.01860	0.8
133.37062	0.8
141.04823	1.2
142.03198	10.5
144.01146	10.7
144.02203	1.0
162.02182	42.2
170.02686	3.0
179.04839	44.0
187.05339	1.2
205.06386	1.0
208.99643	1.7
210.00044	0.8
215.04895	3.0
233.05879	14.2
245.05948	2.7
289.99106	1.1
291.06543	2.9
308.09134	5.3
308.16235	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	308.0907
Annotation	Unknow
Peak:m/z	Relative Intensity
52.49116	0.8
56.05031	1.7
56.96556	2.8
57.98788	1.4
58.99289	1.4
58.99580	16.4
70.45683	1.8
73.71524	0.7
76.02221	100.0
76.03983	2.7
80.05009	1.6
83.06105	1.0
84.04495	41.1
84.08131	0.8
85.02876	0.8
85.04836	0.8
85.10910	0.7
86.99052	3.9
88.02210	1.8
98.00642	0.7
98.97603	0.9
100.99131	0.7
101.20431	0.7
102.05507	0.8
110.97540	0.9
114.03722	1.0
116.01667	20.5
116.02482	1.4
127.59101	0.9
130.04994	14.3
131.01860	0.8
133.37062	0.8
141.04823	1.2
142.03198	10.5
144.01146	10.7
144.02203	1.0
162.02182	42.2
170.02686	3.0
179.04839	44.0
187.05339	1.2
205.06386	1.0
208.99643	1.7
210.00044	0.8
215.04895	3.0
233.05879	14.2
245.05948	2.7
289.99106	1.1
291.06543	2.9
308.09134	5.3
308.16235	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	308.0907
Annotation	Unknow
Peak:m/z	Relative Intensity
52.62881	0.6
53.91397	0.6
54.09433	0.6
55.74694	0.6
56.05029	2.9
56.96561	10.3
57.98810	1.1
58.99292	1.1
58.99582	19.6
71.52103	1.0
76.02222	100.0
76.03979	3.6
80.04992	1.1
84.04499	48.1
85.02901	1.8
85.04826	1.8
86.99062	4.1
88.02205	1.7
93.06467	0.5
98.97582	1.5
100.99147	1.4
102.05515	1.1
114.03715	1.3
116.01671	21.0
116.02512	1.3
119.00146	1.3
119.01909	1.8
120.02037	1.9
128.98605	0.9
130.04988	15.3
130.38986	0.7
134.00531	0.9
134.03526	0.8
137.68480	0.6
142.03204	11.5
144.01132	12.0
144.97995	0.8
144.99693	0.8
145.06107	0.7
146.08061	0.8
146.99663	1.3
147.99994	0.8
159.51468	0.6
162.02188	40.3
163.99557	0.7
165.00822	1.3
170.02711	3.1
179.04849	42.7
184.02141	0.7
187.05385	2.1
189.00533	1.0
190.98650	2.4
191.98981	1.5
199.05293	0.8
204.67648	0.7
205.06502	0.6
208.99731	3.8
210.00024	3.5
213.14392	0.7
215.04924	2.5
216.03127	0.7
221.01456	1.1
227.00793	0.7
233.05869	16.4
233.08044	1.0
245.05905	3.0
289.99081	2.1
290.08026	1.0
291.06360	3.0
308.00082	1.0
308.05795	1.1
308.09131	6.3
308.56677	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.2628
Annotation	9-Hydroxygeranyllinalol
Peak:m/z	Relative Intensity
50.28277	1.4
52.07253	1.5
53.03931	3.9
55.01855	5.0
55.05273	2.2
55.05510	33.9
57.03420	5.3
57.06835	1.5
57.07076	17.0
59.04991	3.1
65.03928	2.9
67.05500	37.4
69.03415	5.8
69.07064	86.1
70.32847	1.3
71.04990	10.5
71.08637	9.1
71.52684	2.2
73.02901	1.6
79.05486	25.5
81.03413	3.2
81.07055	100.0
83.04971	11.9
83.08616	32.7
83.89439	1.5
85.02891	1.4
85.06537	5.4
85.10181	3.0
87.04461	2.0
91.05484	17.6
93.07035	61.7
94.64616	1.5
95.04961	27.1
95.08601	80.0
97.06518	13.9
97.10153	12.4
99.04449	2.9
99.08084	4.1
103.05434	1.8
105.06390	2.4
105.07030	26.9
107.04919	2.4
107.08588	43.4
109.06526	12.7
109.10144	43.1
110.10464	1.7
111.08080	21.0
111.11708	9.7
113.05998	4.0
117.06995	4.2
119.08559	19.3
121.06503	4.6
121.10141	41.5
123.08047	4.5
123.11702	34.9
124.36224	1.4
125.05978	1.5
125.09631	5.0
125.13174	1.6
127.03918	1.6
127.07516	2.7
131.08554	6.2
133.10132	14.5
135.08055	3.3
135.11685	20.8
137.09576	3.6
137.13257	14.0
139.11139	9.2
143.08548	2.1
145.10088	10.8
147.07961	1.6
147.11655	12.6
149.09612	4.7
149.13251	18.2
151.11179	7.5
151.14793	2.6
153.12692	3.5
155.05679	2.0
157.10072	1.5
159.11661	9.4
161.13226	6.8
162.51706	1.7
163.11182	7.7
163.14841	4.4
165.12770	5.2
167.10689	2.2
167.14273	5.4
169.12234	3.1
173.13202	4.2
175.07436	1.8
175.14795	4.0
177.12833	2.6
177.16251	4.5
181.12250	2.4
187.14827	3.5
189.16388	2.6
191.10550	2.2
191.18008	3.0
193.15965	1.4
201.16391	3.6
203.17993	2.6
205.19566	1.7
209.18935	3.3
215.17932	4.9
218.07304	2.0
219.08073	1.6
229.12132	2.4
245.22673	3.0
251.10684	3.3
261.25815	1.6
264.07718	3.1
271.13382	3.3
271.16739	2.1
271.24133	9.5
289.25171	15.0
307.09906	3.4
307.18976	2.1
307.26288	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	307.2629
Annotation	13-Hydroxygeranyllinalol
Peak:m/z	Relative Intensity
53.03931	4.8
53.53279	1.4
55.01871	8.7
55.05505	35.8
57.03422	2.2
57.07072	12.9
67.05496	28.2
68.58212	1.3
69.03421	7.0
69.07060	52.4
69.37463	11.5
70.06614	1.6
71.04991	4.8
71.08630	2.3
72.77568	1.5
79.05481	16.1
81.03382	3.8
81.07046	100.0
83.04967	35.3
83.08612	9.4
84.04496	1.6
85.02892	6.8
85.06538	11.0
91.05452	7.8
93.07034	32.9
95.04958	3.5
95.08595	67.2
97.02910	1.9
97.06523	14.6
97.10178	6.1
99.04438	5.2
99.08085	7.3
101.05993	2.6
103.03928	5.7
105.07018	14.5
107.04995	1.9
107.08575	35.6
109.02861	3.0
109.06496	7.6
109.10148	36.0
111.08070	87.8
111.11721	5.3
117.07050	1.9
119.08562	14.4
121.10127	24.7
123.08048	5.2
123.11688	42.2
125.09639	4.3
127.03881	9.3
131.08534	4.5
133.10124	12.7
135.07961	1.5
135.11667	24.8
137.13248	15.2
139.11169	20.1
145.05011	2.1
145.10114	5.5
147.11671	11.0
149.09547	1.7
149.13219	8.7
151.11162	10.5
153.12723	6.6
157.10158	2.1
159.11687	7.3
161.13286	3.7
163.14856	4.8
165.12741	9.5
169.12231	16.0
173.13206	2.6
175.14816	4.9
177.16414	2.2
179.14268	1.7
179.17955	1.7
187.14848	3.0
189.16364	6.7
191.17889	14.1
191.19044	1.3
193.15916	1.5
201.16417	3.5
204.00620	1.7
207.17374	2.2
209.19019	6.6
215.18022	6.1
220.39566	1.5
233.18980	2.5
251.10756	1.8
264.07703	2.7
271.24225	7.0
289.25266	10.5
305.83429	1.9
307.09708	5.2
307.22699	1.9
307.26248	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	307.2266
Annotation	Methyl haplodesertoate
Peak:m/z	Relative Intensity
53.03934	3.5
53.29469	1.6
55.01863	6.3
55.05264	2.3
55.05510	24.0
57.03402	2.1
57.07066	2.7
59.04991	5.2
62.91031	1.6
65.03935	1.9
67.05499	35.5
69.03414	3.9
69.07065	25.1
70.42985	3.9
70.43343	3.9
70.66030	1.7
71.04996	12.9
73.06538	3.1
77.03908	2.1
79.05070	2.5
79.05491	28.8
81.06593	3.4
81.07053	51.4
82.07381	2.3
83.04963	3.6
83.08611	12.1
84.04483	2.0
85.06540	11.8
87.04464	1.8
91.05473	41.9
93.06480	2.7
93.07037	35.6
95.04974	9.7
95.08610	28.2
97.06535	12.1
97.10157	6.3
99.08102	5.5
103.05447	4.1
105.07027	49.2
107.04940	3.7
107.08583	28.5
109.06519	22.9
109.10163	17.8
110.07253	2.6
111.08084	29.0
117.07019	11.2
119.08585	31.6
121.02879	20.9
121.06481	7.4
121.10128	18.6
123.08060	15.1
123.11691	14.8
125.09606	5.2
129.07022	4.7
131.08569	16.5
133.10120	24.1
135.08095	9.4
135.11700	9.3
137.06035	3.0
137.09645	10.7
137.13268	2.3
139.11172	11.2
141.06976	3.3
143.08531	3.2
145.10101	12.1
147.08041	2.3
147.11682	20.0
149.09622	7.9
149.13234	5.1
151.11189	21.4
153.78001	1.6
155.08585	2.0
157.10155	3.1
159.11658	10.2
161.13248	8.1
163.11183	9.1
163.14793	2.2
165.12744	11.1
169.10060	3.7
171.11629	3.3
173.13228	4.6
175.11211	2.0
175.14850	3.4
177.12775	3.8
179.14308	5.3
181.12315	1.9
183.11632	3.8
187.14777	1.9
189.12775	2.3
191.14211	2.2
197.13271	4.3
201.12790	2.1
213.05499	7.1
214.05861	2.4
215.17973	2.2
229.19527	5.3
233.15161	1.9
239.18021	11.6
247.20625	5.1
257.18991	12.6
275.20065	58.7
276.20398	4.1
285.18890	1.9
289.17905	4.7
289.21414	1.9
289.25320	2.1
307.09821	8.7
307.19141	4.6
307.22650	100.0
307.26129	4.9
308.23016	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	307.2265
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	7.7
55.05492	16.4
57.47517	5.5
64.62473	5.4
67.05508	39.0
69.07044	22.3
71.04982	16.5
71.52624	10.3
79.05498	39.2
81.03416	8.7
81.07052	52.5
83.08608	14.5
85.06522	11.7
91.05460	47.3
93.07037	43.7
95.04950	18.8
95.08580	34.1
97.06513	17.3
98.98491	6.7
99.08046	5.8
100.65222	6.0
105.07014	57.6
107.04934	18.6
107.08578	21.4
109.06490	20.2
109.10135	19.2
111.08066	16.8
111.26672	6.6
113.05972	7.8
117.07028	21.0
119.08586	37.7
121.02855	48.8
121.06531	9.9
121.10112	17.8
123.08056	16.5
123.11697	14.3
125.09593	7.6
129.06966	6.3
131.08546	13.9
133.10091	28.8
135.08044	13.1
135.11661	9.9
137.09612	9.6
139.66856	7.7
145.10103	15.4
147.11668	34.6
149.09607	6.3
151.07559	7.5
151.11121	17.1
159.11649	9.7
163.11165	15.5
165.12744	9.7
173.13213	11.9
175.11287	5.9
213.05473	14.0
233.15364	6.9
235.13225	11.3
239.17950	7.9
257.18979	6.5
275.20035	54.2
289.18060	12.4
307.09848	31.6
307.19116	16.2
307.22565	100.0
325.59192	6.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.2265
Annotation	Methyl haplodesertoate
Peak:m/z	Relative Intensity
55.01842	3.8
55.05508	19.1
57.07073	3.1
61.07735	2.9
62.00585	2.5
65.03905	3.5
67.05499	39.7
69.03399	4.2
69.07060	26.8
73.13933	2.8
78.54923	2.8
79.05482	23.5
81.07048	40.4
83.04961	6.2
83.06443	3.0
83.08610	8.0
88.35533	2.8
91.05462	22.6
93.07028	31.8
95.04966	6.3
95.08607	27.1
97.06504	7.8
97.10135	3.3
98.21547	6.1
98.98446	5.7
105.07044	26.0
107.04939	6.3
107.08572	19.3
109.06519	13.1
109.10137	9.4
111.08073	4.5
113.88683	3.2
117.07004	5.0
119.08560	13.3
121.02847	3.5
121.06493	10.8
121.10111	8.9
123.08054	8.2
123.11689	3.2
125.58424	3.1
131.08565	20.3
133.10155	20.7
135.08055	4.8
135.11703	7.9
135.35251	2.9
137.05977	4.5
138.06293	5.0
143.08524	5.1
145.10120	15.8
147.08069	5.3
147.11674	10.2
149.13173	5.1
151.11217	7.5
155.00999	4.4
157.10048	4.4
159.11694	10.9
161.13153	4.0
163.11143	7.9
171.11664	3.3
173.13292	8.5
175.11154	3.9
177.12721	3.4
187.11209	4.8
191.14351	3.1
201.12708	5.4
219.13847	7.2
229.19519	6.4
229.56609	4.4
239.17690	3.7
247.20451	5.0
257.18961	13.9
275.20050	100.0
289.21564	3.9
307.22659	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	307.2265
Annotation	[8]-Paradol
Peak:m/z	Relative Intensity
54.48248	5.3
55.05486	13.8
55.82260	4.8
64.54137	5.4
67.05492	12.2
69.07050	21.5
69.75119	15.4
69.75531	16.4
79.05466	11.9
81.07043	36.2
83.08589	6.8
86.28723	5.0
86.76022	4.5
87.62437	4.8
91.05454	6.3
93.07010	14.6
95.04953	8.5
95.08597	15.5
97.06516	9.1
97.10166	5.3
97.42896	4.4
98.21581	8.3
105.07004	11.2
107.08591	12.2
109.06509	78.3
109.10138	6.4
119.08514	12.8
121.02821	10.7
121.06425	6.0
123.08035	6.1
131.08582	4.9
133.10106	10.1
137.05956	8.8
149.09631	6.3
165.12682	7.9
177.63338	4.7
184.17223	5.3
248.43118	4.9
251.16412	19.8
289.21545	15.4
307.22681	100.0
307.26050	3.7
308.25839	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	307.2264
Annotation	Wyethic acid
Peak:m/z	Relative Intensity
53.03935	4.2
54.87884	1.0
55.01883	5.1
55.05507	12.3
57.03422	2.4
57.07075	1.6
57.42720	1.2
62.98145	1.1
65.03934	2.3
67.05501	27.2
69.03419	1.2
69.07057	12.4
70.92245	1.6
70.92558	2.0
71.04976	2.6
79.05488	35.4
81.03399	4.5
81.07049	100.0
82.07388	2.0
83.04971	3.1
83.08616	10.1
85.06524	1.7
91.05475	18.9
93.07032	19.1
95.04970	12.0
95.08597	13.6
97.06553	7.3
97.10149	2.8
98.98430	1.2
99.08052	2.1
100.19859	1.1
105.07011	17.1
107.04938	5.7
107.08586	14.2
108.73648	1.0
109.06507	46.2
109.10132	4.6
111.08067	2.0
117.06992	5.0
119.08569	15.4
121.02913	1.6
121.06487	3.0
121.10120	7.5
123.08051	7.4
123.11690	2.5
129.07007	1.5
131.08585	7.5
133.06432	1.5
133.10130	12.1
135.08046	4.3
135.11662	5.5
137.05917	2.9
137.09610	5.5
138.06284	2.7
139.07445	1.2
143.08580	1.2
145.10104	9.3
147.08133	2.3
147.11678	11.1
149.09578	5.1
149.13316	6.3
151.07513	1.2
151.11150	3.4
157.10078	3.9
159.11649	5.6
161.09651	1.2
161.13220	3.0
163.11179	6.5
163.14833	2.5
165.12802	5.0
171.11610	1.7
173.09689	1.4
173.13261	3.8
175.11151	4.5
177.12772	2.7
183.11708	1.3
187.11171	1.2
187.14795	1.7
189.12729	1.7
190.21692	1.0
193.12234	3.4
201.12875	1.4
207.13826	1.5
215.17972	1.3
219.13808	2.1
229.19543	3.0
239.17946	1.8
247.20525	5.6
257.19006	5.9
263.66443	1.1
275.20041	50.1
276.20380	2.4
280.64975	1.1
289.21411	1.5
307.22632	16.3
316.69794	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1902
Annotation	Compactin diol lactone
Peak:m/z	Relative Intensity
51.76407	7.8
55.01858	15.5
55.05505	43.5
56.96542	8.1
57.03431	28.4
67.05488	34.2
69.07063	13.0
69.78959	44.2
79.05495	42.3
81.07047	30.3
83.04979	11.2
83.08602	19.0
87.58509	7.9
91.05483	39.0
93.07038	33.1
95.04965	23.7
95.08606	23.8
97.10160	28.4
105.07018	25.3
107.04929	17.8
107.08586	31.5
109.06512	14.0
109.10172	11.1
111.04414	10.9
119.08575	34.0
121.02851	21.3
121.06488	9.2
121.10128	12.6
123.04427	14.3
125.09616	21.4
126.99644	7.4
128.06252	10.6
130.48302	6.9
131.08546	13.1
133.10146	12.1
135.08006	18.1
137.05994	10.7
137.09592	13.9
139.07585	8.1
143.08586	12.3
145.06450	12.4
145.10130	20.3
147.81833	8.5
148.18321	6.9
157.10132	10.3
159.08052	33.1
159.11722	10.4
161.09613	8.5
163.07607	7.7
173.09660	14.1
173.13197	15.0
177.09122	16.7
183.11690	10.3
185.09627	8.0
189.11177	17.2
191.10686	7.9
215.14243	9.6
223.14526	10.2
229.12370	12.7
248.48746	6.7
253.15810	7.4
261.18497	11.3
271.16830	19.7
279.21130	9.3
289.17911	100.0
307.10089	11.4
307.20389	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	307.2053
Annotation	Callyspongenol B
Peak:m/z	Relative Intensity
55.01881	8.0
55.05494	7.1
55.32742	7.2
59.04994	6.2
63.17138	6.0
64.11922	6.4
67.05493	12.4
69.07063	8.8
70.37080	13.0
70.37467	25.9
76.02218	11.9
79.05489	14.8
81.07032	39.4
91.05475	32.0
93.07047	20.4
95.04963	27.7
95.08622	8.7
97.06544	16.2
98.98457	11.8
105.07026	45.7
107.08566	18.9
109.06534	8.3
111.08102	12.9
117.07024	13.6
119.08566	42.3
121.02850	21.6
121.06450	8.3
121.10184	15.9
128.06177	7.9
130.07791	6.4
131.08575	23.5
133.10118	61.0
141.06995	13.5
142.07704	8.9
143.08517	36.2
145.06459	8.4
145.10092	23.3
147.08080	8.1
155.08592	10.7
156.09326	14.9
157.10147	18.5
158.10849	7.9
159.08022	7.1
159.11699	24.1
161.09583	10.6
167.08514	13.6
169.10147	26.2
171.11690	21.5
173.13278	9.1
179.08556	9.6
181.10107	10.8
182.10893	21.0
183.11705	14.5
187.11229	9.8
193.10080	13.6
195.11748	13.9
197.13304	22.2
199.14713	7.0
206.10960	15.0
207.11739	15.6
208.12479	8.9
208.72977	7.9
209.13269	17.4
211.14804	12.9
213.05481	8.4
221.13232	21.4
223.14835	19.9
233.13191	11.2
234.14011	9.9
235.14830	12.3
238.88252	7.3
259.14948	12.8
263.17899	23.5
274.17322	9.8
279.21021	7.7
289.19562	15.3
307.09888	12.9
307.20502	100.0
324.82382	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	307.2263
Annotation	Methyl haplodesertoate
Peak:m/z	Relative Intensity
53.03926	2.3
55.01865	1.4
55.05508	16.1
57.03414	2.1
57.07058	2.6
59.04985	3.3
65.03938	1.4
67.05498	32.7
68.05827	1.9
69.03417	3.0
69.07057	15.6
69.36971	7.6
70.07391	1.7
71.04605	1.7
71.04984	24.7
73.06535	1.1
79.05484	23.5
81.03411	2.2
81.07049	42.3
83.04962	4.6
83.08616	7.6
85.02903	1.3
85.06512	3.0
86.06019	1.1
91.05470	22.6
93.07042	22.6
95.04958	7.5
95.08594	20.4
97.02847	1.4
97.06513	9.9
97.10151	4.0
98.06031	5.1
98.20731	2.1
98.98478	1.2
99.04426	3.3
99.06381	2.5
99.08083	6.7
105.04441	0.9
105.07019	23.3
107.04931	4.0
107.08583	14.0
109.05803	2.0
109.06511	23.4
109.10156	10.5
110.07283	1.2
111.04432	100.0
111.08037	4.2
112.04731	1.6
113.09600	1.8
117.07014	6.0
119.08572	16.7
121.02846	1.7
121.06487	7.7
121.10131	11.6
123.08070	11.8
123.11683	4.7
125.05984	6.5
125.09596	6.1
125.11671	1.0
129.06985	4.1
131.08566	9.8
133.10106	12.4
135.08000	5.0
135.11671	5.1
136.08849	1.1
137.05949	3.8
137.09615	9.1
138.06291	2.9
139.07590	1.0
139.11143	1.4
141.06837	1.2
143.08530	1.9
145.10121	8.6
147.08060	1.6
147.11674	7.5
149.09627	5.6
149.13205	2.9
151.11153	4.5
155.08482	2.6
157.10161	2.2
159.11659	4.3
161.09599	1.9
161.13232	4.0
163.11169	2.3
165.12720	5.0
169.10098	1.6
170.29500	1.2
171.11664	3.8
173.13235	2.4
175.11090	1.3
177.12788	1.5
183.11736	1.4
187.11122	2.1
187.14801	1.0
189.12672	1.2
191.14423	1.3
191.17938	2.0
201.12650	1.3
203.17909	1.0
229.19536	2.1
236.88388	1.2
247.20546	2.9
251.16466	2.2
252.39450	1.1
257.18970	3.3
275.20032	19.7
279.23056	3.9
289.21527	5.6
307.22595	67.5
307.28183	48.3
308.23187	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.19
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84185	4.8
53.03935	14.1
55.01860	15.8
55.05505	38.9
55.93514	13.8
56.04708	4.3
56.05023	6.2
57.03420	19.6
57.07058	6.5
65.03963	5.1
67.05501	66.6
69.03413	8.9
69.07051	24.3
69.25643	27.6
69.26070	28.4
71.04964	6.9
72.93779	7.0
76.02197	5.4
79.05487	74.9
81.03403	12.5
81.07046	65.6
83.04987	17.4
83.08597	18.0
85.06514	7.6
88.07624	24.4
89.07957	7.4
91.05474	94.5
93.07034	94.9
95.04965	39.2
95.08604	41.9
97.10147	15.7
99.45866	5.7
100.07557	5.5
103.05434	14.6
105.07021	57.2
107.04929	35.6
107.08585	38.4
109.06522	14.7
109.10131	20.0
111.08063	21.5
117.06983	25.9
119.08560	42.9
121.02863	47.4
121.06500	79.2
121.10113	16.8
123.04445	7.5
123.08051	13.0
123.11742	6.5
123.86398	5.3
125.09631	16.6
129.06952	6.2
131.08546	31.3
133.06488	15.9
133.10127	19.5
135.08041	21.6
137.09604	18.5
143.08533	6.6
145.06470	8.0
145.10129	8.4
147.08089	8.6
149.09587	8.8
151.07541	14.0
155.01091	5.7
157.10077	7.1
159.08014	14.5
159.11583	7.6
163.07516	44.8
171.11693	13.0
173.09651	7.6
179.04735	5.9
183.11469	5.8
187.11224	7.4
189.11165	12.3
197.11623	5.7
197.13315	7.0
207.13852	7.0
214.21667	8.3
215.21988	27.4
219.13850	5.6
231.13814	7.6
233.15331	17.9
243.17401	9.2
259.24500	10.8
261.18433	10.9
267.06662	9.9
271.16946	12.9
285.07678	5.7
289.17899	79.1
307.18930	44.0
307.26617	100.0
320.94540	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	307.1683
Annotation	Unknow
Peak:m/z	Relative Intensity
53.63089	0.5
56.05028	2.6
56.96569	0.5
57.31498	0.6
58.06588	3.8
69.03402	0.7
69.68529	0.5
70.06597	1.4
70.12607	2.7
72.08162	0.6
76.02204	0.9
80.65405	0.5
81.03403	0.6
81.07060	0.6
84.04497	24.5
84.08134	100.0
85.08442	1.1
86.06061	6.1
86.09693	5.0
87.06437	0.7
88.03970	0.9
91.05473	0.6
93.07078	0.6
95.08569	0.7
96.04493	0.7
96.95772	0.5
98.09652	0.8
98.98438	0.8
107.04960	0.7
108.04456	2.9
110.06063	0.5
110.72228	0.6
114.12855	0.7
121.30711	0.5
122.06030	2.0
130.08667	1.6
140.07037	3.1
141.13864	6.0
150.96893	0.6
161.06042	0.6
168.06587	2.3
169.13333	8.2
189.05356	0.8
198.11247	1.6
215.13893	33.7
216.14281	1.0
228.99139	0.7
243.17012	50.8
244.17410	1.3
247.10826	1.2
247.13503	0.7
262.11026	3.3
289.11914	1.0
307.04684	0.5
307.13040	1.6
307.16797	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	307.1286
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	1.3
55.01847	0.7
62.57527	0.6
67.05498	0.7
68.04980	0.8
69.03410	1.0
70.06583	1.8
70.93200	0.7
71.27454	1.5
71.61766	0.6
74.00618	0.7
79.05497	1.1
80.05000	4.6
81.85923	0.6
84.04480	0.8
85.02884	2.4
94.06554	5.5
95.04958	0.9
95.36964	0.6
96.04469	1.6
97.02864	0.9
98.06036	11.5
103.03927	1.1
104.05000	3.6
105.03399	0.7
107.40413	0.6
108.04467	89.4
109.04774	0.9
110.06019	1.4
118.08205	0.7
120.04459	8.2
122.06013	56.8
123.04404	1.9
124.07559	1.4
126.05500	2.3
127.03886	1.7
138.04453	1.3
138.05487	22.4
139.06256	2.7
140.07047	100.0
141.07367	1.1
150.05495	12.3
168.06540	84.4
169.06940	1.1
170.08121	4.1
209.89676	0.6
211.46524	0.6
220.20180	0.7
247.10759	1.2
252.32524	0.8
265.11798	4.6
289.11774	1.8
307.12885	31.2
308.13110	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1285
Annotation	Brachystemidine B
Peak:m/z	Relative Intensity
55.01875	1.8
62.95090	0.3
69.07043	0.7
70.06591	0.3
70.97211	0.4
70.97529	0.7
77.63693	0.3
77.87395	0.3
79.05500	0.5
85.02905	0.5
91.05478	0.4
94.06555	0.5
96.04510	0.5
98.06038	1.0
106.20150	0.3
107.08588	0.6
108.04465	1.0
122.06023	2.2
123.04408	0.5
124.07591	0.5
127.03965	0.5
132.08139	0.5
135.08055	2.0
136.07587	2.2
140.07043	1.5
144.08099	0.4
146.06032	0.6
146.09630	0.5
148.03923	0.4
148.07552	0.4
150.05531	0.5
150.09128	0.7
155.08507	0.4
156.08095	0.7
158.09712	0.4
159.09155	0.7
160.07558	1.6
162.09137	0.5
163.08630	1.5
168.06583	2.5
168.07771	0.4
170.05954	0.4
170.09665	0.4
172.07538	0.6
173.07089	0.5
173.10713	0.4
174.09157	3.0
175.08754	0.6
176.07008	0.7
176.52596	0.3
177.10217	1.7
178.08618	14.2
182.08145	1.1
184.06064	0.4
184.07491	1.7
186.07748	0.4
187.08687	1.4
188.07053	3.4
188.10703	0.6
189.10170	0.5
191.08066	0.8
196.09796	0.4
198.09125	1.3
201.06604	0.6
201.10219	2.8
202.08629	5.8
204.10182	0.8
205.09731	3.9
206.08115	2.1
211.08578	0.5
212.07018	1.0
215.08173	0.5
215.11768	0.5
216.10312	3.2
217.09840	0.5
219.07671	1.2
219.11278	4.9
220.09700	2.1
225.10147	0.4
226.08638	2.0
228.09993	0.5
229.09711	4.4
230.08064	3.1
235.10596	0.5
241.14735	0.4
243.11223	2.0
244.09673	3.7
247.10777	12.0
248.09149	1.0
253.09615	0.5
254.08078	1.0
261.12238	0.8
262.10715	1.8
265.11810	13.4
271.10721	2.0
272.09076	1.9
289.11810	15.4
290.10098	0.7
307.12857	100.0
308.13171	2.4
315.19989	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.0623
Annotation	Unknow
Peak:m/z	Relative Intensity
50.32667	3.0
56.96559	15.2
69.87153	11.6
71.95271	2.9
76.02226	4.5
76.03983	3.8
84.04493	30.6
98.09830	3.2
98.97566	11.2
111.57935	2.8
116.98618	10.2
118.20471	3.4
119.01892	14.3
126.00246	2.8
130.04999	14.3
131.73244	4.1
133.01729	4.5
134.99606	3.4
135.05022	3.7
137.02962	4.2
145.03496	6.0
147.03340	3.0
158.99872	4.9
168.00330	5.8
168.50381	5.6
169.00313	3.2
174.97701	3.3
177.00980	17.0
177.03226	4.6
178.00960	3.0
179.00789	4.0
180.93489	3.3
182.00182	5.0
202.98961	3.8
207.98256	3.8
208.48300	3.8
209.49142	4.4
214.95694	3.6
216.47525	4.0
219.01997	25.0
220.02069	3.9
221.01834	9.6
222.01901	10.6
231.04427	7.5
237.50316	4.6
237.96214	3.8
243.02042	7.8
246.00676	3.6
246.50644	4.3
255.49409	4.2
258.96445	4.1
259.96036	3.7
261.00308	5.1
261.03046	100.0
262.03265	3.4
264.98444	3.3
276.97958	3.9
281.99823	3.5
284.04678	6.7
286.48590	4.4
301.46454	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	307.0787
Annotation	Unknow
Peak:m/z	Relative Intensity
56.64458	7.3
56.96560	90.8
58.99554	20.7
65.81606	7.9
70.06590	10.9
70.19122	32.2
72.08169	9.5
76.02225	100.0
78.32587	7.2
84.04492	44.0
84.96013	10.1
85.02876	8.2
90.74879	7.0
100.99126	29.9
101.00865	19.1
103.00673	9.5
110.97559	14.5
116.01637	12.6
119.00156	9.4
119.01902	34.9
121.01646	16.8
126.01765	13.4
128.98598	33.3
130.04996	13.8
131.01878	17.1
133.01675	8.0
133.03423	19.3
139.00706	22.0
142.03250	10.9
144.98016	12.7
145.00696	15.7
145.03412	17.4
145.50836	9.2
146.99599	25.8
148.01271	15.8
151.99739	10.0
154.01237	11.8
161.00188	22.7
161.02872	16.7
162.02182	37.0
162.99110	19.2
165.00722	24.0
165.04298	10.7
172.97523	9.2
173.02943	19.4
175.00058	18.0
179.04834	47.3
183.01750	12.7
184.00507	20.2
190.98581	51.1
192.99988	15.1
196.00493	15.8
201.02386	10.7
201.06120	14.1
202.00493	35.7
203.03952	9.5
208.99675	92.9
217.00987	20.5
219.03499	9.1
227.00769	14.1
232.01225	9.0
233.05763	14.4
251.05818	7.8
270.97794	9.9
288.98489	23.7
307.00000	8.3
307.07578	62.8
307.10046	99.9
324.28000	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	306.2787
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	0.6
55.01859	1.0
55.05508	7.6
57.07055	0.8
60.89427	0.2
65.03928	0.5
67.05499	9.9
69.07064	8.2
70.06573	0.3
71.13831	0.3
71.14165	0.5
72.04496	0.7
79.05489	2.6
81.07047	7.8
82.06574	0.3
83.04942	0.3
83.08615	2.1
85.05275	2.7
86.06071	0.8
91.05472	1.2
93.07034	2.0
95.04948	0.4
95.08601	4.9
96.08099	0.5
97.06541	0.3
97.10159	0.8
98.06046	16.2
99.06841	0.4
105.07015	1.0
107.08596	0.6
109.10138	1.7
110.09642	0.7
112.07594	2.0
117.71210	0.2
119.08569	0.5
121.10151	0.8
122.03634	0.4
123.11665	0.6
124.07533	0.5
124.11223	0.3
125.08369	0.3
126.09114	0.4
133.10100	0.6
135.11679	0.5
137.05965	7.0
138.09106	0.4
140.10721	0.6
147.11671	0.4
152.10706	0.3
154.12267	0.9
159.11606	0.3
166.12338	0.3
167.99182	0.3
168.13766	0.5
182.15363	0.7
194.15488	0.5
196.16969	0.7
208.16891	1.2
222.18587	0.7
236.20110	0.4
249.77663	0.2
250.21571	0.4
287.06366	0.3
305.72003	0.2
306.10492	0.6
306.27881	100.0
307.28098	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	306.9969
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68193	0.9
56.05028	1.6
56.96560	100.0
58.99573	2.3
61.31356	0.8
62.55503	0.6
65.60857	0.7
67.01850	0.9
71.14218	1.4
71.14584	1.7
71.95286	0.8
72.10510	0.8
72.96061	1.5
74.00653	0.7
74.97586	5.0
76.02220	6.3
76.03989	2.4
78.81176	0.8
84.04495	22.5
84.08144	1.1
84.96027	4.5
85.04021	1.0
86.97568	1.2
98.97585	1.7
99.20777	0.8
100.99139	27.0
101.00871	3.2
102.97115	1.4
103.02423	2.5
105.02179	0.9
110.97562	15.0
114.03756	0.8
115.02396	0.9
116.01652	2.3
116.98616	1.7
117.70988	0.8
118.99342	1.0
119.00178	16.0
119.01910	12.8
120.01950	0.9
121.01640	1.8
121.03458	0.9
126.01870	0.8
126.97016	3.9
127.03857	0.9
128.98589	24.4
129.92958	0.8
130.04984	9.9
131.01894	3.5
131.99364	1.2
132.51900	0.8
133.01648	0.8
133.03461	8.0
134.99695	0.8
137.01202	2.1
137.02945	3.1
140.01633	1.1
143.01874	1.7
144.01106	1.2
144.98091	15.8
145.03448	4.7
146.99638	29.9
147.03235	2.1
149.02977	1.2
150.96858	1.9
151.04520	2.7
154.96553	1.0
155.08090	1.0
157.03426	1.4
161.00110	0.9
161.02943	4.3
162.02190	2.1
162.99132	24.7
163.02744	0.8
163.04446	1.5
165.00699	27.3
167.00272	0.9
168.99812	1.7
172.97566	12.4
173.02954	3.4
175.02686	1.1
177.03300	1.9
179.04822	3.0
181.00150	3.1
183.01756	12.4
185.03822	1.8
186.07631	1.7
187.00861	1.9
188.02255	0.9
189.02420	0.8
189.04202	0.8
190.98605	43.0
191.03920	1.1
196.00613	1.5
201.06094	3.5
203.04016	1.5
205.01950	1.3
208.99666	92.2
214.00209	1.8
215.00369	2.3
219.03488	1.9
226.98579	1.7
227.00687	13.8
229.01775	1.3
231.04350	4.2
232.01253	5.2
233.05913	1.0
235.01479	2.8
244.99678	4.5
247.02925	4.0
257.07541	1.2
263.00699	3.4
270.97537	4.0
277.02502	0.8
288.98669	24.4
289.03802	1.7
306.81381	0.9
306.99673	9.1
307.04959	1.3
307.09796	3.6
307.15900	1.2
308.09128	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	306.2059
Annotation	Unknow
Peak:m/z	Relative Intensity
51.23726	0.5
54.84979	0.4
58.02947	0.5
68.74763	0.4
69.07063	1.3
70.15609	2.1
81.07040	0.9
91.05516	0.6
94.04186	2.5
107.08591	0.7
109.10126	0.5
122.03630	8.0
123.11694	0.5
135.11749	0.7
137.05963	100.0
138.06284	1.0
151.11224	0.5
153.12723	1.1
170.15364	2.1
182.15427	2.1
205.35840	0.5
306.20499	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.2473
Annotation	8Z,11Z,14Z,17Z-eicosatetraenoic acid
Peak:m/z	Relative Intensity
53.03937	3.0
53.65826	2.5
55.01849	5.5
55.05511	25.0
56.96548	4.9
57.03405	2.5
57.07074	13.1
65.03954	3.2
67.05189	2.8
67.05504	36.4
69.03409	11.4
69.07063	57.9
71.01335	3.2
71.04984	5.2
71.08618	4.8
71.14011	5.9
77.63747	2.2
79.05486	26.5
81.03420	4.7
81.07052	100.0
83.04964	8.1
83.08615	21.1
85.06540	13.4
85.10181	3.6
91.05466	16.7
93.07040	55.4
93.28453	2.6
95.04956	23.5
95.08603	85.3
97.02898	2.3
97.06528	14.5
97.10151	10.5
97.49294	2.5
98.97591	14.8
99.04436	4.1
105.06412	2.8
105.07032	38.0
107.04947	6.1
107.08584	56.8
109.06512	21.1
109.10145	51.6
111.04434	9.0
111.08076	33.1
111.11736	5.0
113.06013	4.8
114.09157	7.2
115.05421	2.6
116.98612	9.2
117.06985	3.4
119.07800	3.5
119.08569	35.1
120.08113	3.0
121.06525	13.3
121.10130	47.2
123.08044	7.0
123.11684	33.3
125.09618	3.5
129.06955	2.5
131.00191	5.1
131.08557	7.0
133.10126	32.9
134.99623	6.9
135.04393	4.4
135.08038	9.4
135.11696	17.9
137.05940	7.5
137.09590	9.9
137.13213	14.2
137.46970	2.4
139.03877	5.3
139.07486	2.6
139.11159	19.8
143.08499	4.3
145.10129	9.2
147.08047	4.9
147.11662	26.3
149.01193	3.4
149.09558	5.5
149.13254	17.1
151.07512	16.1
153.09081	3.5
155.07248	2.6
156.09445	3.1
157.10106	4.9
158.99709	4.8
159.11713	9.0
161.06073	3.1
161.09596	15.9
161.13243	17.9
163.03877	7.2
163.11101	4.5
163.14857	7.4
165.09116	4.4
165.12766	4.2
166.00847	2.5
167.10687	7.6
171.11708	4.7
173.13272	7.4
175.11159	6.6
175.14812	12.3
177.00691	6.0
177.05432	8.1
177.12733	6.5
177.16374	6.9
178.06197	9.2
179.07013	41.9
179.10657	6.3
179.14296	8.0
181.12218	6.2
187.14827	5.0
189.12608	2.8
189.16347	10.4
191.03622	13.1
191.17941	2.6
193.12289	6.9
199.14987	3.4
201.05383	3.5
203.17950	7.4
205.04973	3.4
205.19487	3.4
206.05769	16.2
207.13789	4.3
207.17331	4.1
213.16376	5.9
221.15326	3.1
231.17363	4.2
237.64801	2.9
244.07240	9.2
245.22585	10.2
247.06018	3.1
249.18477	6.0
259.24194	23.0
260.72189	2.4
269.22641	7.1
275.05426	7.5
287.23642	26.0
290.07819	12.9
293.71521	2.6
305.10162	97.2
305.17590	4.2
305.24704	58.9
306.10556	7.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.0655
Annotation	3,5,7,2',6'-Pentahydroxyflavanone
Peak:m/z	Relative Intensity
53.03936	1.5
55.01857	2.3
55.05510	4.0
57.03429	0.9
57.07053	1.7
57.50020	0.7
58.32265	0.6
59.98046	0.7
62.22467	0.6
65.03941	3.4
67.01853	1.5
67.05496	8.2
68.99775	3.8
69.03410	2.9
69.07063	8.6
69.41038	5.4
70.06577	1.2
71.01308	0.6
71.04986	1.6
71.08603	1.1
71.48398	0.5
77.03919	1.3
79.05483	4.6
79.86793	0.6
81.03404	6.8
81.07050	12.9
83.04967	2.0
83.08590	3.2
85.06527	1.1
89.03912	2.4
91.05460	4.4
93.03378	1.0
93.07043	8.4
95.04954	14.9
95.08604	9.8
97.02882	1.5
97.06510	1.8
97.10150	1.8
98.21565	1.3
98.97581	4.0
101.05982	1.1
102.40288	0.6
103.05469	0.8
105.03370	2.9
105.07034	5.7
107.04932	2.7
107.08592	6.6
107.78313	0.7
109.02898	1.0
109.06519	3.0
109.10152	6.2
111.04418	5.8
111.08057	1.0
113.09659	0.9
115.05463	1.0
116.98586	1.6
117.03366	3.6
117.07023	1.6
119.04874	0.8
119.08585	5.5
121.02858	11.6
121.10152	4.9
122.06021	0.9
123.04418	68.7
123.11687	5.0
124.04790	0.9
127.03915	1.9
128.06203	1.1
129.07013	2.2
131.08528	1.9
133.02826	3.4
133.06485	1.4
133.10120	3.9
135.04417	2.6
135.08057	3.4
135.11671	4.0
136.07567	1.8
137.02287	1.8
137.05914	1.0
137.09602	3.7
137.13211	1.9
139.03903	4.8
139.05389	1.1
139.11177	2.8
141.06956	1.0
143.08566	1.1
145.02815	6.3
145.06506	1.2
145.10091	1.8
145.53708	0.7
147.04404	1.0
147.08025	1.0
147.11688	1.9
149.02327	73.3
149.13210	2.1
150.03065	1.5
151.03925	3.7
151.07558	1.7
151.11201	1.2
153.01814	100.0
154.02264	1.1
157.06473	4.7
157.10115	1.3
159.11670	2.1
160.05232	0.8
161.02351	7.9
161.05991	1.1
161.09589	2.0
161.13307	3.1
163.03896	2.3
163.11150	1.3
163.14726	0.8
164.07083	1.6
165.12796	0.7
167.03412	12.0
171.02899	1.5
171.04402	1.1
171.11612	0.8
173.13278	0.9
175.03908	1.5
175.07582	1.9
175.14774	0.9
177.00725	1.6
177.05453	11.0
178.06247	1.0
179.03381	3.7
179.06985	6.2
179.10559	1.1
185.05954	9.4
189.05438	1.1
189.16412	1.3
191.03360	2.1
195.02888	17.5
195.04633	1.0
199.14734	0.7
201.05415	0.8
203.03387	2.4
203.06966	0.7
206.05754	3.9
213.05473	14.1
213.16437	1.2
214.05840	1.0
219.06483	1.2
229.04948	1.1
231.06512	52.4
232.06851	1.7
241.04953	7.4
244.07243	1.2
245.04602	0.9
247.06020	0.7
257.04498	0.6
258.05225	2.7
259.05997	62.0
260.06497	1.7
269.04559	0.7
269.22693	0.8
273.04028	0.8
275.05582	1.7
287.05502	17.7
287.23590	3.0
290.07858	2.1
305.06497	9.6
305.10220	17.1
305.14749	1.8
305.18082	0.9
305.24652	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	304.1388
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	3.1
57.03419	5.9
58.06596	2.5
60.04513	9.8
61.02916	4.6
64.77550	1.9
67.05503	3.7
69.03419	14.8
69.07062	47.5
69.80528	10.9
70.06587	5.1
71.01331	1.9
71.08627	22.0
72.08142	3.2
73.02900	4.4
73.90373	1.7
74.06077	2.3
81.03399	7.7
82.36657	1.6
84.04501	6.7
84.08132	4.5
84.59375	1.8
85.02899	86.4
86.02419	7.8
86.09717	3.8
91.05471	2.4
94.06561	4.4
96.04477	2.8
96.08127	3.3
96.33063	1.8
97.02293	3.8
97.02880	48.7
97.06521	6.3
98.20741	2.3
99.04449	4.2
99.05632	2.5
103.03925	7.0
109.02868	12.6
110.02460	2.0
114.09142	19.0
119.01968	2.8
120.08075	3.9
122.06021	21.1
123.04454	2.1
123.06828	2.0
124.07631	2.8
127.03880	15.6
130.06516	7.4
132.04443	2.7
134.06035	3.9
136.07588	7.1
137.77721	1.7
138.09117	11.4
142.08618	100.0
145.02786	2.3
145.04941	7.5
146.05983	6.1
150.05493	15.1
151.07512	4.9
153.01831	2.0
153.06519	2.9
156.10237	2.8
157.03468	2.1
157.07593	3.6
158.05977	3.2
161.02972	2.3
163.05798	2.3
164.06958	2.4
168.06615	5.4
173.02968	3.9
177.05376	2.4
178.06187	3.0
179.07063	9.5
182.08012	1.9
184.09679	96.1
191.03392	3.4
206.05681	4.6
208.09644	20.4
221.05009	5.3
238.10724	4.2
242.09264	10.0
245.05093	19.4
250.10674	11.1
260.10199	3.1
263.06149	3.6
268.11227	2.8
275.05353	3.4
286.12189	7.4
287.13794	8.6
304.05341	6.4
304.08499	2.2
304.11349	2.2
304.13556	6.0
305.10150	30.6
305.15268	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	303.9817
Annotation	Unknow
Peak:m/z	Relative Intensity
52.00157	0.2
56.96567	1.4
62.12926	0.2
69.87950	0.7
69.88341	0.4
72.03218	0.2
76.65272	0.2
77.47771	0.2
78.87686	0.2
90.86755	0.2
93.04848	0.2
95.11345	0.2
98.97566	1.2
101.00852	0.7
105.67941	0.2
112.99059	0.2
114.06175	0.2
116.98615	1.5
119.01144	0.4
119.01912	3.7
121.01640	0.4
122.97875	0.2
126.61047	0.2
131.01865	0.3
134.99669	1.2
137.02939	1.6
140.98808	0.4
142.03481	0.6
146.99739	0.3
153.00717	0.2
158.99866	0.6
160.04523	0.5
161.49608	0.2
162.99179	0.2
167.01289	0.2
177.00940	18.5
178.01018	1.8
179.00713	0.3
181.03410	0.4
181.99991	0.4
182.99875	1.3
195.01935	0.5
196.94527	0.3
199.04480	1.4
200.02570	0.5
201.00900	4.4
201.02594	0.4
202.01132	0.3
203.50699	0.3
210.99602	0.3
214.95433	1.1
218.03693	0.3
219.01991	100.0
220.02106	6.5
221.02167	0.5
222.02101	0.2
225.00064	0.3
226.95537	1.5
227.45659	0.5
227.95392	0.4
232.96718	1.1
235.96129	0.3
237.03133	0.2
238.46275	1.1
238.95850	1.0
239.46297	0.3
242.03613	4.9
242.06076	0.3
243.03755	0.4
249.97220	1.0
250.47218	0.4
250.97096	0.5
251.98820	1.1
252.98517	0.4
256.96579	8.3
257.96710	4.2
258.96277	1.0
260.00229	0.3
260.99374	0.3
261.03085	0.4
262.03159	2.0
263.02847	1.0
272.94629	0.4
273.94769	0.3
274.97653	3.8
275.97729	1.7
276.97534	0.4
278.01291	0.3
278.12448	0.6
279.98364	1.2
280.98645	1.7
281.98007	0.5
298.97632	15.7
299.97955	1.1
304.05463	0.3
316.47015	0.3
321.99081	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.1337
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	0.8
54.72606	0.7
55.01871	0.7
55.05523	1.7
56.05035	0.8
56.96559	0.7
60.68502	0.8
61.01162	0.7
65.03965	1.0
67.05513	1.9
69.03436	2.9
69.07069	0.9
70.06586	4.0
71.05013	0.8
71.41694	1.6
72.08146	3.1
79.05500	1.8
81.03410	1.9
81.07080	1.0
83.04936	0.7
84.04510	1.6
84.08138	3.8
84.47244	0.6
85.02892	1.4
86.09700	6.6
87.10055	2.3
91.05490	1.0
93.07047	2.3
94.06570	3.6
95.04971	1.7
95.08621	1.8
97.02874	1.0
98.97562	0.9
99.04462	1.0
100.69128	0.7
107.08590	1.7
109.02859	7.2
109.06514	0.9
110.06047	1.2
110.07187	2.5
111.04448	1.1
112.75873	0.6
113.05994	5.1
113.07137	0.7
116.71947	0.6
117.03333	0.7
118.06557	0.9
120.08130	2.6
122.06030	3.5
123.04418	0.9
124.07573	0.9
127.03917	1.2
127.39132	0.6
129.10243	1.7
130.06534	0.6
134.06021	1.2
135.08046	1.3
136.07565	2.8
137.02414	0.7
137.06010	0.8
137.82919	0.6
140.07062	1.1
141.05453	10.0
141.07280	0.9
145.02841	1.8
145.07590	0.8
146.08412	1.0
149.05948	1.0
150.05566	0.9
151.03960	0.9
151.07576	1.2
152.07076	1.1
153.01817	1.9
153.05472	0.8
153.09006	1.5
156.07877	0.8
162.05595	0.8
163.07536	0.9
164.07080	1.2
165.07053	1.5
167.07161	1.4
168.08083	1.3
168.47177	0.6
169.08908	0.9
170.09665	1.6
171.10303	1.2
177.05482	2.2
179.07161	0.9
180.08063	1.5
181.08765	2.8
182.08226	1.5
182.09685	1.5
183.09143	2.4
184.09846	1.5
184.11253	2.8
185.07112	1.9
186.07739	0.8
194.09648	3.1
195.09113	5.8
196.09921	19.4
197.08620	0.7
197.10605	5.1
198.07864	1.1
199.08562	1.4
200.15930	0.6
200.18404	0.7
205.07550	1.5
206.08372	38.6
207.06615	0.8
207.08604	1.7
209.07051	5.3
209.10687	3.8
210.07799	1.7
210.11443	4.2
211.08669	2.4
211.12271	18.7
212.10814	1.3
213.10222	3.0
219.09154	2.1
220.09947	7.8
221.10727	15.9
223.08632	14.9
224.09419	19.7
225.10179	2.8
226.10982	3.0
227.08125	8.6
227.11679	1.0
228.08916	0.9
234.98970	1.4
237.10196	9.3
238.10994	12.8
239.08316	3.9
239.11748	38.4
240.08635	1.3
241.09680	6.2
243.11166	1.1
246.92320	0.7
248.05276	0.7
252.08905	2.3
253.09689	0.8
254.10350	3.2
255.11299	1.3
256.11957	1.1
257.09058	0.8
257.10168	1.0
257.12833	9.9
258.11136	1.1
267.11264	78.8
268.11633	1.6
271.10135	1.3
272.11533	9.5
275.13852	2.4
285.12302	100.0
286.12616	2.9
303.05112	10.4
303.13364	63.9
304.05341	0.9
304.13925	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.1336
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	0.5
53.26455	0.3
55.05498	0.6
55.98832	0.4
65.03919	1.4
67.05476	1.6
68.99785	0.6
69.03424	0.6
69.07061	2.3
69.86707	0.5
69.87112	1.9
70.06573	0.7
71.04965	0.5
72.08150	0.6
72.77174	0.3
79.05491	2.4
81.03394	0.5
81.07058	2.3
82.06559	0.8
83.04981	0.8
83.08613	0.4
84.08116	0.5
85.02898	0.6
86.09676	1.4
89.03901	1.0
89.65214	0.3
91.05457	1.6
92.04999	0.7
93.03410	0.5
93.07008	1.3
94.06561	2.3
95.04940	1.4
95.08565	1.0
95.89016	0.4
96.08134	0.7
97.02866	0.7
97.06523	0.5
99.08101	0.6
103.05417	0.5
105.06999	1.0
106.06552	2.3
107.04929	1.0
107.07314	0.7
107.08569	1.0
107.66544	0.4
109.06506	1.3
109.10106	0.9
110.05315	0.4
110.06039	6.2
110.07138	0.4
110.95494	0.3
112.07609	0.8
116.04958	0.9
118.06528	0.4
119.08552	0.7
120.04458	11.2
120.05332	0.8
120.08051	0.8
121.06477	0.5
121.10131	0.9
121.55022	0.3
122.06013	3.3
123.04401	0.5
124.07573	4.4
129.10210	0.6
131.08553	0.5
133.10098	1.1
134.06007	4.0
135.04315	0.4
135.08041	0.4
135.11723	0.5
136.07567	0.8
137.02397	0.4
137.05980	0.8
140.07059	7.0
141.07835	5.4
142.08624	16.1
144.04428	1.2
145.10095	0.5
147.11624	0.4
148.07539	0.7
149.09644	0.5
151.03792	0.4
153.01782	2.6
153.05360	0.4
154.02121	1.3
154.08647	1.8
155.08495	0.4
159.11641	0.6
162.05492	100.0
163.05907	2.3
163.07558	0.4
163.11162	0.4
164.07068	1.5
177.05379	0.4
181.06561	0.4
183.02800	0.4
183.08076	0.8
188.10727	0.7
189.12686	0.4
203.03516	0.4
214.08737	0.5
215.11790	0.8
216.10223	2.2
217.13350	0.5
218.05350	0.6
226.08611	0.4
229.04784	1.1
230.08073	0.9
233.12933	0.4
240.10260	0.5
243.11395	3.0
244.09637	1.2
246.04852	1.1
257.12881	1.1
258.11218	3.4
261.12357	5.9
271.09967	0.5
274.04358	0.5
275.05164	1.2
279.13440	3.2
285.12320	3.1
285.22253	0.4
286.10742	2.1
303.04849	12.5
303.08365	0.7
303.13376	12.1
303.16690	0.4
303.23077	0.7
304.05261	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0495
Annotation	Quercetin
Peak:m/z	Relative Intensity
55.01863	0.3
56.09227	0.2
58.06190	0.2
65.03912	0.6
67.01848	0.5
67.05475	0.3
68.99783	2.4
70.78213	0.4
81.03377	0.6
89.65098	0.2
92.08830	0.2
93.03398	0.4
95.04944	0.6
103.05459	0.2
105.03374	0.2
105.06987	0.4
109.02885	1.5
111.00784	1.8
111.04413	0.2
117.06990	0.4
121.02853	2.1
123.04395	0.8
127.03868	0.6
131.04881	0.3
135.04373	0.4
137.01253	0.3
137.02332	7.6
137.03374	0.6
145.06493	0.6
149.02338	1.0
153.01813	10.1
154.02136	0.2
155.04893	1.3
155.06023	0.3
157.06479	0.3
159.04379	0.4
161.05962	0.7
163.03902	1.4
165.00546	0.3
165.01837	3.8
166.02583	0.6
171.02843	0.2
173.05945	1.7
177.05386	0.3
179.03366	0.4
183.02838	1.5
183.04408	0.9
187.03862	1.3
191.03426	0.4
191.06960	0.3
194.02138	0.2
195.02879	0.6
201.05450	4.9
205.04860	0.4
207.02957	0.4
211.03735	0.2
213.05542	0.3
219.02870	0.3
219.06589	0.5
228.04156	0.5
229.04930	9.4
230.05359	0.4
239.03491	0.4
243.38237	0.2
247.05931	1.6
257.04413	5.5
258.04791	0.3
274.04672	1.4
275.05386	0.3
278.06784	0.2
285.03882	2.4
303.04953	100.0
304.05307	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	303.0496
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	0.1
55.01862	0.5
55.05504	0.2
56.61650	0.1
65.03925	0.6
66.43731	0.1
67.01846	0.5
67.05488	0.5
68.99786	2.7
69.03439	0.3
69.07069	0.1
69.94144	0.6
71.01353	0.2
79.05453	0.1
81.03418	0.9
81.07051	0.4
91.05462	0.4
93.03397	0.9
93.07049	0.3
95.01347	0.1
95.04962	1.2
95.08585	0.2
97.02863	0.2
98.97573	0.1
103.05424	0.3
105.03365	0.3
105.07021	0.4
107.04929	0.4
107.08587	0.3
109.02870	1.3
109.06449	0.1
109.10132	0.1
110.03667	0.2
111.00789	2.2
115.05422	0.2
117.07034	0.4
119.08590	0.3
120.08080	0.3
121.02860	2.3
121.10113	0.2
123.04415	0.7
123.08041	0.1
127.03927	0.6
127.07330	0.1
129.06990	0.2
131.04926	0.5
133.02840	0.1
135.04407	0.4
135.08072	0.2
137.02333	8.0
137.03400	0.5
137.05942	0.2
138.02643	0.2
140.20734	0.1
145.02855	0.2
145.06448	0.8
145.10167	0.1
149.02335	0.8
149.06021	0.1
153.01817	11.3
154.02213	0.1
155.04903	1.2
155.06021	0.2
157.06541	0.2
159.04355	0.3
159.11819	0.2
161.05992	0.7
162.52332	0.1
163.03902	1.5
165.01820	4.4
165.06972	0.2
166.02557	0.6
167.03270	0.1
171.02953	0.1
173.05959	1.7
177.01860	0.2
177.05487	0.2
178.04929	0.1
179.03354	0.4
183.02867	1.7
183.04413	1.1
183.07988	0.2
187.03833	1.1
191.03403	0.4
195.02890	0.6
200.90729	0.1
201.03560	0.2
201.05452	4.8
202.05928	0.2
205.01314	0.2
205.04927	0.5
207.02876	0.2
207.13560	0.1
211.03911	0.4
211.07550	0.3
213.05475	0.4
213.07677	0.2
215.03284	0.2
219.02887	0.4
219.06471	0.6
222.71599	0.1
228.04214	0.7
229.04944	10.0
229.47520	0.1
230.05299	0.3
232.03596	0.2
239.03397	0.3
245.04443	0.2
247.05995	1.5
257.04431	5.7
258.05215	0.3
274.04739	1.5
275.05286	0.5
275.30597	0.1
285.03912	2.5
286.04468	0.3
303.04956	100.0
304.05322	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	302.1231
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	4.6
55.05502	5.4
56.64168	3.2
56.96559	4.5
57.03423	7.1
58.10659	3.3
61.02924	5.5
67.05497	40.2
69.03432	16.1
69.07075	14.9
69.96629	15.3
70.06585	25.2
72.08146	11.6
73.02892	4.0
77.32208	3.2
79.05489	5.3
81.03419	12.3
81.07037	9.2
84.04507	5.3
84.08128	14.6
85.02897	82.1
86.09703	100.0
87.71588	2.9
91.05491	5.6
93.07015	3.6
95.04961	36.0
97.02877	49.4
102.05505	4.0
102.09238	4.6
103.03938	5.4
107.08575	3.8
108.08142	8.2
109.02876	18.3
112.07603	20.9
113.05984	6.8
116.98676	3.2
121.06542	3.0
122.06002	8.2
123.82121	3.1
125.06003	5.6
126.05514	9.1
126.09119	2.9
127.03903	15.9
129.10231	4.2
130.08676	4.7
135.08086	3.4
136.07550	21.1
140.03409	10.8
140.07059	79.6
141.05464	8.3
145.04948	9.4
150.09215	3.6
152.07066	13.0
153.01846	3.3
153.09116	6.7
154.08595	12.8
164.07024	20.9
178.08641	16.4
182.08119	97.9
183.08267	3.5
199.18071	18.5
206.08127	35.2
218.08064	6.7
227.17514	5.7
245.05072	3.0
248.09242	10.4
267.11276	3.5
285.12601	5.0
291.27707	3.3
302.10788	3.4
302.21960	15.6
303.04974	11.0
303.13403	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	303.0408
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93997	0.6
53.69284	0.5
58.47863	0.6
69.37799	1.1
69.38200	4.4
98.20823	1.2
98.97560	1.2
101.00872	1.9
105.63806	0.6
115.04446	0.6
116.98654	0.6
119.01283	0.6
119.01930	6.5
120.02029	0.7
137.02914	2.2
147.76277	0.6
177.00932	16.9
178.01076	3.3
179.00716	2.1
201.00998	1.4
217.04179	3.3
218.03722	1.9
219.02010	23.8
220.02081	6.4
221.01749	6.8
222.01912	2.3
225.00920	2.7
243.01921	7.0
243.03932	0.7
244.02078	1.5
247.07468	0.7
250.06174	2.9
259.00024	0.9
261.03030	100.0
262.03168	30.4
263.02789	5.1
265.08618	1.1
279.00275	0.8
280.11002	2.0
282.99924	0.8
284.04590	3.5
284.99759	1.4
285.04694	1.3
301.01047	1.0
303.00848	1.8
303.05316	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	302.1233
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	1.5
55.01860	2.2
55.05497	1.1
57.03434	3.2
61.02919	4.0
64.55535	1.0
65.03929	3.7
67.05499	38.7
69.03427	20.8
69.07058	11.0
70.06580	9.4
71.04971	1.6
71.43998	2.1
72.08137	2.4
73.02905	2.4
74.06100	1.4
75.69244	1.0
81.03411	8.0
81.07057	1.2
84.04496	2.4
84.08138	9.8
85.02901	44.7
86.09700	14.2
92.60625	1.1
94.06565	2.8
95.04961	48.7
97.02888	42.5
99.04440	1.8
103.03946	4.1
108.08131	1.4
109.02876	10.5
112.07596	34.3
113.05966	5.2
122.05993	1.8
123.04407	2.1
124.07600	3.2
127.03904	7.3
129.10219	2.6
132.08293	1.4
134.05991	1.1
134.96275	1.1
136.07565	5.5
137.02336	1.5
138.05446	1.2
140.03412	5.0
140.07053	100.0
141.05457	2.1
141.07385	1.6
145.04950	2.1
150.05528	1.0
151.03931	1.0
151.38506	1.0
152.07025	2.2
154.08633	7.3
164.07101	2.0
178.08588	2.6
182.08121	68.1
206.08116	16.2
218.08177	1.6
223.54666	1.1
225.01093	1.1
231.11172	1.2
236.09138	2.7
248.09137	9.2
266.10477	1.4
267.11304	2.6
284.11005	1.5
285.12100	2.2
302.12396	1.8
302.15631	1.2
302.21823	3.3
303.04922	4.4
303.13446	3.9
321.80127	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	302.0568
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96542	1.2
61.39793	0.5
70.50151	1.6
70.50558	1.0
76.55958	0.6
98.97578	2.1
99.07491	0.5
101.00851	1.3
116.98599	2.6
117.98974	0.8
119.01923	6.2
120.97826	0.5
122.21401	0.5
134.99646	2.1
137.02907	2.1
177.00922	12.3
178.01050	1.6
179.00728	3.2
200.04028	0.7
201.00887	1.1
203.00572	0.7
217.04062	2.4
218.03625	1.5
219.02003	24.5
220.02042	7.6
221.01743	13.2
221.49579	0.6
222.01967	1.3
225.00963	2.1
230.50447	0.5
242.03513	1.3
243.01930	7.0
244.03273	0.8
259.99991	0.8
260.02408	1.4
260.05087	3.5
261.03055	100.0
262.03156	7.3
263.03046	0.7
277.01172	0.5
278.00705	0.9
278.03714	1.0
278.96722	1.3
279.00357	1.7
279.02814	0.9
284.00027	1.2
284.04675	5.5
285.00021	0.8
301.01117	0.9
302.00970	1.7
302.05923	10.1
302.67526	0.5
303.00830	1.4
303.05472	2.2
320.05063	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	302.0868
Annotation	4-Nitrophenol-alpha-D-galactopyranoside
Peak:m/z	Relative Intensity
53.03938	0.4
55.01853	0.3
56.94197	0.2
56.96548	0.7
57.03420	0.5
61.02927	1.4
66.64064	0.2
69.03431	3.0
71.04993	0.4
71.25214	0.4
73.02898	0.5
78.03432	0.7
78.57761	0.2
80.40134	0.2
81.03404	1.2
85.02894	7.1
87.04463	0.5
91.03948	0.6
97.02884	2.6
98.97567	0.5
99.04428	0.6
109.02856	0.6
116.98588	0.2
122.02354	2.0
127.03938	1.3
139.08879	0.3
139.09955	0.2
140.03406	100.0
141.03780	1.2
145.04950	1.6
156.03300	0.4
158.99574	0.2
174.04347	0.7
186.04373	1.0
200.03944	0.3
204.05347	1.2
208.66713	0.2
235.02815	0.2
271.09042	0.3
284.04437	0.4
302.08722	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	300.0937
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96564	2.1
57.03419	0.6
61.02909	0.7
69.03435	0.6
69.98000	2.3
70.06583	2.6
71.01343	1.4
72.08142	0.8
73.02905	0.6
79.30061	0.4
84.04484	0.6
84.08126	1.1
85.02884	1.5
86.09677	0.7
97.02891	0.6
98.03571	0.4
98.20798	0.6
98.97597	1.3
102.84004	0.4
107.04910	0.6
109.05096	0.8
112.07590	0.6
116.98624	1.1
119.03523	0.7
119.05029	0.4
123.06696	0.7
127.03872	0.4
130.08632	0.9
133.05066	0.9
134.99661	1.1
136.06180	100.0
137.04576	1.0
137.06561	1.1
138.07755	0.6
146.99690	0.7
148.06145	0.5
149.07030	0.6
150.07747	1.2
151.06134	3.0
152.05708	1.0
156.03325	0.6
164.05663	6.2
166.07324	0.5
168.05202	0.4
168.08820	4.6
174.04390	1.5
176.07631	0.4
178.07237	19.0
179.06966	0.4
180.05089	0.5
186.04405	1.0
187.06259	0.5
190.07269	1.0
194.06706	0.6
196.05627	0.5
202.03796	0.5
204.05441	1.6
222.32281	0.4
230.08902	0.6
237.02798	0.5
252.07230	2.3
253.19341	0.6
254.08818	1.0
254.51393	0.4
266.08749	0.5
280.87180	0.5
282.08264	1.4
300.06357	1.0
300.09430	4.5
300.13046	2.4
301.06976	0.7
305.55981	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.0702
Annotation	Chrysoeriol
Peak:m/z	Relative Intensity
50.22124	0.2
55.01860	0.4
55.05490	0.3
66.01061	0.7
68.99776	0.7
69.07021	0.3
69.35282	2.8
73.35221	0.4
78.01039	0.6
78.40224	0.3
81.07022	0.8
91.05486	0.6
93.07032	0.7
94.04175	1.8
95.08592	0.6
107.04950	0.3
107.08563	0.5
109.10155	0.4
121.02853	6.8
121.94372	0.3
122.73975	0.3
131.08559	0.5
133.69154	0.3
134.03603	0.3
135.11707	0.3
137.02342	1.4
153.01796	0.7
169.21667	0.3
175.07420	0.4
181.06467	0.4
183.02928	0.3
183.04636	0.3
184.05170	2.4
188.04683	1.7
189.05432	0.4
193.01300	0.7
210.01601	0.6
212.04597	1.8
213.05444	3.7
220.37640	0.3
229.04926	3.9
230.05663	0.8
240.04207	0.8
241.05006	1.4
241.08621	0.3
257.04358	2.2
258.05212	13.9
269.04382	0.8
272.03107	0.3
285.03900	36.3
286.04681	86.4
287.05096	3.4
301.07031	100.0
301.21625	1.0
302.07385	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.1389
Annotation	Unknow
Peak:m/z	Relative Intensity
60.75434	0.9
60.80592	0.8
65.03931	5.4
65.30977	1.0
66.03459	3.0
67.05494	2.0
70.06578	2.1
71.52243	0.8
71.52625	1.5
72.08136	1.7
73.81495	1.0
78.04683	1.9
79.05482	2.5
80.05002	1.2
81.03394	0.9
81.07051	1.9
82.06573	3.5
83.63397	0.9
84.08112	1.7
85.79881	0.9
86.09690	2.8
89.03902	2.2
91.05476	74.0
93.03386	3.2
93.05774	2.8
93.07016	1.8
94.06567	13.5
95.08593	1.7
96.08119	7.7
97.06470	0.9
104.47321	0.8
105.03403	1.4
105.07023	1.0
106.06539	6.0
107.07348	1.9
108.08113	17.5
108.44904	0.8
109.06505	1.6
109.10140	1.7
109.12168	0.9
110.07148	1.4
111.04530	1.2
113.31175	1.0
116.04970	59.7
117.05766	16.4
118.06538	15.4
119.08573	1.2
120.04474	1.4
120.08090	15.2
122.06002	2.1
124.07589	20.6
129.10153	1.0
130.03996	2.8
132.08043	1.1
133.10072	1.1
134.06039	10.9
136.07553	3.9
138.09091	1.4
143.07277	1.0
144.08098	6.5
145.02837	1.1
146.05997	63.2
148.07558	9.7
152.07086	1.7
158.09589	1.1
164.07057	60.2
165.06915	0.8
166.08670	2.8
168.06688	1.0
168.08150	1.7
169.06805	1.0
169.08817	1.3
172.07568	5.5
177.05455	1.4
182.08330	1.5
182.09695	2.2
183.09143	1.9
184.09866	1.3
184.11276	1.5
192.08080	1.7
193.08858	6.6
194.09604	1.6
195.09164	5.3
196.09973	3.4
197.10727	3.7
198.12822	1.2
200.10716	1.0
208.11203	8.2
209.10703	18.6
210.11491	31.2
211.08542	1.2
211.12292	1.2
220.07878	1.1
220.09848	4.4
221.08302	3.2
221.10718	4.5
223.12288	8.8
224.13046	8.9
225.10207	1.8
225.13850	38.9
226.12210	1.4
235.12274	10.6
236.10712	2.9
237.10330	4.6
238.10962	10.5
241.13342	3.4
251.11847	1.6
253.13347	100.0
254.11465	1.0
254.13799	1.1
255.14926	1.0
263.12003	1.2
271.14386	43.7
281.12839	61.3
299.13876	83.6
299.35168	1.0
300.14236	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	298.2374
Annotation	Unknow
Peak:m/z	Relative Intensity
53.24390	2.5
55.05510	19.5
57.07061	3.5
57.78081	2.0
60.04269	2.6
60.04518	31.4
67.05497	19.6
69.07052	20.7
71.53070	2.9
71.53450	3.1
74.43031	2.1
75.44456	2.1
79.05492	3.8
79.21274	2.1
81.07053	24.2
83.04963	2.9
83.08599	11.1
86.09676	4.2
88.07555	2.1
91.05451	7.0
93.07005	8.4
95.08604	21.4
96.08905	2.9
97.10168	10.8
98.37928	2.4
100.11259	16.2
103.46572	2.3
105.07010	6.2
107.08585	4.3
109.06527	2.4
109.10130	9.9
111.11693	4.1
117.95374	2.1
119.08569	5.9
121.10134	4.6
123.11662	6.6
126.12755	2.1
132.34067	2.3
133.10123	5.6
135.11655	2.6
136.06172	3.7
137.09604	2.5
140.10664	2.1
140.14330	3.3
142.12300	3.7
147.11687	6.5
151.11182	3.4
154.12222	7.1
172.13326	4.2
203.17923	7.7
221.19000	9.0
238.21625	46.9
256.22696	66.0
277.13672	6.2
280.22656	5.8
298.23727	100.0
299.23926	4.6
313.95728	2.5
315.64825	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.1123
Annotation	Picein
Peak:m/z	Relative Intensity
55.08017	1.5
57.34808	1.3
58.06464	1.3
70.06577	1.5
70.77055	3.1
70.77397	1.8
85.02909	2.2
98.21369	1.6
104.00285	1.4
104.82047	1.5
116.61770	1.3
137.05965	100.0
157.07610	1.5
203.07555	2.5
218.65198	1.5
269.80310	1.3
274.20157	1.3
282.08774	1.9
299.06070	3.8
301.05923	1.6
302.12695	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	298.0967
Annotation	5'-Deoxy-5'-(methylthio)adenosine
Peak:m/z	Relative Intensity
50.05029	0.1
50.74538	0.1
57.03414	0.2
61.00851	0.3
61.01146	4.8
68.11987	0.2
69.03408	0.6
70.06577	0.4
71.52072	0.2
72.08144	0.2
75.02702	2.5
84.04489	0.2
84.08121	0.2
86.09689	0.2
94.04029	0.4
97.02881	1.5
103.02159	0.4
108.04459	0.1
116.98507	0.1
119.03532	0.8
120.08094	0.1
129.10175	0.2
136.06174	100.0
137.04576	0.6
137.06488	0.7
145.03165	1.2
163.04233	1.1
212.78062	0.1
247.81636	0.1
298.09662	3.2
298.12704	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	298.2373
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	19.2
57.07054	3.4
60.04227	1.8
60.04520	33.7
67.05498	16.3
69.03385	1.6
69.07057	27.2
71.04957	2.2
71.08614	1.6
71.53142	2.0
79.05473	5.9
81.07046	23.1
83.05003	2.0
83.08611	14.5
85.06519	2.4
91.05464	7.0
93.07013	6.7
95.08587	14.8
97.10165	9.4
99.08094	2.8
100.11238	17.0
105.07030	4.2
107.08586	5.0
109.06476	1.8
109.10122	11.6
111.11721	4.3
119.08546	6.2
121.10152	4.7
123.08091	2.3
123.11692	6.4
126.12743	1.6
133.10143	7.6
135.11656	2.0
136.06154	4.6
137.09587	4.6
137.13206	2.6
139.11194	1.6
142.79652	1.4
147.11641	5.0
151.11148	1.7
154.12238	5.5
161.13251	2.9
172.13281	2.2
203.17963	7.3
221.18999	8.7
238.21643	17.8
256.22690	15.6
267.79614	1.5
280.22803	6.5
298.23749	100.0
299.05908	1.6
299.09396	2.4
299.12833	1.8
299.24097	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	297.242
Annotation	9(10)-EpOME
Peak:m/z	Relative Intensity
55.01836	2.4
55.05512	11.2
56.20810	2.0
57.03430	2.4
57.07075	37.3
67.05501	39.4
69.07070	11.5
71.05000	2.9
71.08619	2.5
71.26598	5.4
79.05482	15.7
81.07050	35.8
83.04978	3.7
83.08595	8.7
85.10173	77.8
91.05479	26.6
93.07033	18.6
95.04908	3.4
95.08604	31.2
96.08791	2.3
97.06515	5.3
97.10148	6.1
105.06993	14.1
107.08562	23.2
109.10158	11.0
111.08038	3.9
113.09634	100.0
117.06994	2.9
119.08547	3.2
121.10138	12.5
123.11683	3.8
124.26767	2.1
131.08554	6.4
131.10645	5.1
133.10117	39.4
135.08075	2.7
135.11685	3.9
145.10100	4.0
147.11665	4.5
149.09619	8.2
149.13246	28.0
151.11198	10.5
153.12762	2.7
159.11656	3.3
161.73409	2.2
165.12820	3.4
167.14313	16.9
181.15863	4.6
187.14813	7.8
205.15810	3.7
243.21111	9.8
261.22034	15.4
279.23160	48.9
280.23642	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	297.9913
Annotation	Unknow
Peak:m/z	Relative Intensity
51.42334	1.6
55.01838	2.1
56.46125	1.9
56.96295	2.8
56.96564	32.6
58.12254	1.9
61.01144	5.0
63.61208	1.7
69.03436	3.6
70.06582	4.2
70.12016	8.9
71.95267	2.4
82.91370	1.6
84.08137	3.1
84.96018	2.2
85.02929	4.3
85.75828	1.7
86.09698	3.2
97.02882	5.5
98.21449	2.1
98.97579	97.4
110.07138	2.2
116.98617	90.4
119.01920	7.7
121.02812	2.9
122.08508	1.9
131.01976	2.8
131.44237	1.9
132.20285	1.9
134.99654	53.4
136.06175	100.0
137.02972	6.2
153.00677	8.2
157.03447	2.3
158.01364	2.4
158.06676	2.5
166.07318	3.3
170.01439	1.8
172.94371	3.0
174.00728	4.6
174.97629	3.7
177.00906	6.0
178.01199	2.1
180.17604	2.2
190.95424	6.1
192.98753	3.1
193.10860	7.4
203.02440	3.9
203.07741	2.7
208.96165	6.5
213.02467	3.8
216.98727	2.2
219.01985	4.8
220.02223	3.1
221.01761	1.9
228.84843	1.8
232.96338	11.1
233.01476	5.4
234.99828	7.1
236.99086	1.8
239.11365	8.8
250.97499	10.8
251.02592	9.4
256.96353	12.6
257.04910	3.6
261.03091	11.7
274.97406	92.5
275.06073	5.3
292.98511	75.1
293.03311	12.5
298.11798	4.7
298.18661	5.2
315.99780	4.2
316.98865	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	297.2421
Annotation	9(10)-EpOME
Peak:m/z	Relative Intensity
53.62232	5.9
53.96364	6.6
54.34438	6.9
55.01874	43.6
55.05496	23.7
57.03419	9.1
57.07067	13.3
67.05501	76.4
69.07056	37.7
69.97183	14.4
69.97576	15.1
71.08613	8.5
71.17282	6.2
79.05490	22.2
81.07051	100.0
83.04973	12.4
83.08608	19.9
85.58896	7.0
91.05451	11.3
93.07029	23.6
95.08599	76.1
97.06528	6.9
97.10103	14.8
105.06990	9.8
107.08580	24.1
109.10143	52.5
121.10109	26.0
123.11696	13.5
125.09620	17.7
135.11707	17.3
136.06175	9.4
137.13225	7.2
147.11658	11.8
149.13266	8.1
155.46452	7.1
173.13257	9.8
230.46443	7.0
250.89374	8.3
261.22192	9.6
273.90829	8.3
279.23166	59.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.2422
Annotation	9(10)-EpOME
Peak:m/z	Relative Intensity
55.01867	14.0
55.05513	58.3
57.03427	8.1
57.07071	33.2
65.57859	7.0
67.05498	91.8
68.87377	7.6
69.07069	63.2
69.23584	84.2
69.41058	8.8
71.08617	47.1
79.05482	29.6
80.57885	9.3
81.07043	100.0
83.04957	10.1
83.08604	50.8
85.06535	11.4
91.05470	17.2
93.07016	41.9
95.08602	82.5
97.06535	7.9
97.10166	47.7
97.10719	6.4
99.08074	30.0
105.07050	10.2
107.08585	44.7
109.10139	47.5
119.08508	9.0
121.10160	26.3
123.08035	7.6
123.11717	27.2
125.09645	22.4
131.08553	8.5
135.11674	28.6
137.13246	12.6
139.07924	7.2
142.28415	6.9
147.11696	22.1
153.12691	9.1
163.14850	11.1
183.13744	57.3
189.11278	21.7
195.13998	8.1
206.36099	7.7
231.89714	8.9
243.21115	13.1
250.89281	9.6
251.23767	11.2
261.22128	25.3
266.12259	8.3
279.23154	73.1
297.24243	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	297.2422
Annotation	9(10)-EpOME
Peak:m/z	Relative Intensity
52.21571	5.1
53.33825	6.7
55.01866	61.8
55.05501	44.9
56.34821	5.1
57.07070	12.5
57.86173	5.6
67.05495	67.0
69.03410	6.2
69.07060	92.7
70.71162	19.8
71.04974	10.7
71.08619	37.1
79.05479	38.5
81.06589	7.2
81.07047	80.3
83.04988	27.5
83.08601	25.1
91.05481	14.7
93.07037	41.1
95.08600	100.0
97.06514	17.7
97.10175	13.9
99.08107	36.6
105.06978	15.1
107.08601	31.5
109.04899	5.7
109.10141	34.9
111.11747	7.8
119.08522	9.2
121.10108	33.8
123.11680	15.7
131.08488	10.7
133.10144	7.3
135.11649	13.3
137.13281	13.3
138.62448	5.1
139.11185	51.5
145.10120	14.0
147.11671	18.8
149.09572	8.7
159.11652	8.5
165.12730	11.3
167.14200	8.0
169.12242	7.2
177.12880	7.7
181.12265	6.4
181.15793	7.1
195.13780	6.9
208.88235	5.7
233.22627	8.9
243.21056	18.2
250.89404	12.8
251.23701	23.5
261.22092	29.4
279.23148	89.1
280.23434	9.1
303.12607	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	297.2422
Annotation	 [R-(E,E)]-13,14-Dihydroxy-6,10,14-trimethyl-5,9-pentadecadien-2-one
Peak:m/z	Relative Intensity
53.03931	4.0
55.01863	7.2
55.05502	34.6
56.84710	2.3
57.03425	6.0
57.07065	5.0
67.05497	66.1
69.03434	2.3
69.07063	74.7
69.95452	6.6
69.95873	4.1
70.08806	2.2
71.04992	10.5
72.22160	1.9
72.94098	1.9
79.05486	34.9
81.07046	92.9
83.04980	13.9
83.08622	12.6
85.06544	7.8
91.05479	8.8
93.07035	66.1
95.04952	3.4
95.08598	79.7
97.01579	2.5
97.06537	18.2
97.10152	19.5
98.20692	2.4
99.08099	4.4
101.71349	2.4
105.07014	5.5
107.08578	23.5
109.06622	2.2
109.10143	23.7
110.96141	1.9
111.07997	3.5
111.11692	6.1
112.44276	2.0
119.08562	6.8
121.10126	40.9
123.08073	3.9
123.11685	18.1
125.09631	3.1
131.08556	8.2
133.10132	8.3
135.11676	14.7
137.09612	2.7
137.13235	6.8
139.11174	27.5
145.10094	4.4
147.11668	4.7
149.13268	6.2
151.11143	3.3
159.11569	2.7
161.13232	4.7
163.14835	3.3
165.12759	2.7
167.14395	4.7
173.13269	5.7
187.13304	5.0
187.14796	4.8
191.14377	2.3
195.75684	2.3
203.12743	8.7
209.18961	2.5
233.22630	3.8
233.35478	2.3
243.21048	7.3
253.35568	2.3
261.22134	38.2
279.20035	4.8
279.23141	100.0
297.24286	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	297.1695
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	11.5
55.01864	15.0
55.05511	15.1
57.03434	19.5
57.07076	5.0
61.02914	17.4
67.05507	38.3
69.03424	66.6
69.07060	19.0
69.29739	17.4
69.30169	23.8
70.06606	5.5
71.01346	10.5
71.04985	15.8
73.02915	13.9
78.91163	4.3
79.05477	38.0
81.03414	31.6
81.07053	65.1
83.04977	19.7
83.08621	6.6
84.08150	7.5
85.02900	74.4
85.06548	8.8
87.04452	8.2
91.05470	43.8
91.81023	5.3
92.72350	4.4
93.07038	100.0
95.04953	25.2
95.08599	44.3
97.02896	31.4
97.06522	13.1
98.20771	7.1
99.04454	20.1
103.03960	11.7
103.05412	6.0
105.07024	66.9
107.04961	8.2
107.08587	87.5
109.02888	16.0
109.06520	16.3
109.10152	43.1
111.04434	12.7
111.08060	10.4
115.03934	6.6
117.07028	18.2
119.08585	42.1
121.06520	10.9
121.10142	69.1
123.04399	7.4
123.08034	10.9
123.11672	26.2
125.05982	10.6
127.03918	15.6
128.06273	5.0
129.05411	6.3
129.07036	12.8
131.08554	33.3
133.06476	9.7
133.10097	44.8
135.08043	10.9
135.11694	77.8
137.05925	5.7
137.09576	17.5
137.13243	6.1
142.07674	5.5
143.08536	15.1
144.09338	5.1
145.04956	13.5
145.10103	27.3
147.08049	14.6
147.11678	32.6
149.09550	12.8
149.13295	11.5
151.11206	16.2
153.12750	20.1
155.08536	10.0
156.09320	8.6
157.10092	11.3
159.08057	6.2
159.11696	29.5
161.09628	9.2
161.13272	15.0
163.07541	5.6
163.11186	19.8
165.12755	16.0
167.08540	5.1
171.11674	9.6
173.09651	8.1
173.13203	6.2
175.11194	14.5
177.12758	18.5
183.11684	7.0
187.11227	7.5
189.12798	17.3
193.12311	6.0
194.00218	6.9
201.12764	13.1
207.11647	6.0
209.02774	7.5
215.14204	9.7
219.13849	14.5
231.13850	14.3
240.08940	36.9
243.13786	18.7
255.11189	11.1
261.14856	39.9
262.44220	4.8
279.15872	36.0
297.11929	15.9
297.16992	84.6
299.06155	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	297.2421
Annotation	9(10)-EpOME
Peak:m/z	Relative Intensity
55.05493	9.5
57.03418	5.4
57.07055	13.7
57.22476	4.1
67.05505	54.3
69.07079	19.4
69.23185	4.1
69.44994	37.3
70.55786	3.9
71.08607	16.9
72.47758	4.1
79.05476	11.4
81.07048	90.7
81.07524	5.8
83.08603	15.1
93.07059	13.8
94.52042	4.0
95.08601	100.0
95.18619	4.2
97.10152	5.8
98.19521	3.5
99.08064	9.0
105.07034	6.8
105.40143	4.4
107.08604	7.8
109.10152	35.8
119.08549	6.1
121.10106	8.7
123.11674	13.9
127.11109	4.8
133.10147	5.9
135.11710	10.9
141.12752	4.2
145.10110	5.2
147.11681	5.9
147.93246	3.9
149.13240	4.6
177.35033	4.4
181.15758	4.1
209.15190	5.8
229.06133	4.2
261.22177	5.6
279.23163	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	295.2265
Annotation	9(S)-HOTrE
Peak:m/z	Relative Intensity
51.58138	7.0
52.32858	7.4
53.16737	7.4
55.01859	32.4
55.05506	61.4
57.03426	7.3
57.07061	18.9
67.05498	100.0
69.07057	33.2
69.31010	7.9
70.97830	20.7
71.08634	38.9
78.80383	7.4
79.05490	84.4
81.07050	74.8
83.04974	24.4
83.08578	42.3
84.35008	7.4
89.22083	9.2
91.05466	32.9
93.07034	81.9
95.04957	12.6
95.08592	65.4
97.06522	11.1
97.10181	32.8
99.08111	29.9
105.07018	24.4
107.04937	9.8
107.08569	51.8
109.06448	8.5
109.10133	56.8
117.07003	9.9
119.08601	23.5
121.10129	51.6
125.09601	52.1
133.10120	24.4
135.11658	52.0
137.09604	14.4
145.10124	9.3
147.11603	8.9
149.13243	22.1
151.11203	18.0
153.12758	11.6
163.11140	10.0
179.14301	85.5
259.20667	15.8
277.21582	86.9
295.22720	15.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2265
Annotation	(11R)-Hydroxy-6(Z),9(Z),12(Z)-octadecatrienoic acid
Peak:m/z	Relative Intensity
53.03928	10.5
55.01863	40.4
55.05507	48.7
56.96535	7.2
57.03434	5.2
57.07056	12.1
67.05498	72.6
69.03419	14.7
69.07054	41.5
70.05605	21.0
70.06567	5.5
71.04977	10.6
71.08615	18.4
79.05480	51.9
81.03391	16.4
81.07050	89.5
81.80746	5.4
83.04971	18.8
83.08594	38.5
84.08129	5.3
85.06560	7.1
85.10162	13.4
91.05466	46.2
92.79874	5.7
93.07040	46.0
94.81841	5.8
95.04948	25.3
95.08601	57.3
97.06519	24.8
97.10144	9.7
97.22335	5.2
99.08078	20.4
105.07033	32.5
107.05009	5.5
107.08604	33.4
109.06496	12.4
109.10163	34.2
111.08064	47.3
113.09614	13.5
117.06988	12.4
119.08554	34.3
121.06494	9.2
121.10133	16.6
123.08009	6.0
123.11633	8.6
129.06993	9.9
130.38826	5.0
131.08496	11.6
133.10127	32.5
135.08080	8.1
135.11691	15.5
137.09613	6.1
139.11168	10.3
145.10167	8.8
147.11700	26.8
148.49985	5.8
149.09613	9.6
149.13231	11.2
151.11154	31.8
159.11588	6.1
161.13237	12.1
163.11076	8.8
165.12717	34.3
168.17404	18.5
171.11742	5.0
175.11160	7.1
179.14270	13.0
231.21107	7.7
235.07500	5.3
241.19440	8.6
249.22205	12.1
259.20593	10.4
277.21634	100.0
293.36209	6.0
295.09473	8.7
295.22693	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	295.2266
Annotation	9(S)-HOTrE
Peak:m/z	Relative Intensity
53.03928	7.9
55.01865	40.0
55.05273	3.9
55.05509	48.2
57.03433	5.7
57.07067	8.7
65.03912	2.9
67.05500	77.1
69.03408	7.8
69.07063	64.6
69.22794	17.4
69.23198	5.6
71.04975	10.2
71.08620	13.7
79.05483	48.0
81.03417	25.8
81.06593	4.8
81.07050	78.4
83.04964	19.6
83.08623	21.6
85.06531	5.0
85.10173	2.8
89.23186	2.2
91.05476	35.2
93.07037	67.6
93.80208	2.2
95.04960	25.2
95.08600	85.9
97.06540	14.2
97.10152	15.6
99.08085	9.1
105.07021	19.1
107.04942	4.3
107.08600	27.4
109.06518	7.8
109.10146	34.5
111.08076	5.8
111.11696	4.6
113.09669	3.0
117.07017	5.6
119.08570	20.8
121.10122	27.9
123.08054	41.5
123.11739	10.7
125.09622	17.5
127.11261	2.8
129.07037	3.8
131.08531	5.0
131.82735	2.1
133.10135	13.1
135.11673	18.9
137.09616	41.0
139.07436	2.8
139.11185	30.7
145.10127	5.1
147.07974	3.8
147.11687	11.1
148.83427	2.2
149.13237	11.1
151.07524	3.8
151.11198	12.1
153.12764	5.7
161.13268	5.3
163.11119	2.6
163.14841	2.9
165.09117	3.0
165.12756	9.7
167.10699	2.9
167.14336	4.6
171.11668	4.7
173.13277	2.5
175.14787	3.6
179.14267	4.5
181.12256	10.6
187.14915	2.5
189.11197	7.2
207.13853	2.5
221.15381	3.9
231.21080	8.2
235.16699	2.8
241.19545	4.3
249.22154	28.0
259.20551	13.0
265.12350	2.4
277.21628	90.0
277.24756	4.3
295.22678	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2265
Annotation	9(S)-HOTrE
Peak:m/z	Relative Intensity
53.03941	24.2
55.01865	8.3
55.05509	29.2
57.07058	8.0
67.05504	68.0
69.07059	49.6
69.61314	2.7
69.95002	8.9
69.95414	5.7
71.04995	4.0
71.08630	2.8
75.36992	2.9
79.05493	36.2
81.03415	82.3
81.07053	57.1
83.04957	14.7
83.08620	13.6
85.10162	4.8
91.05493	23.6
93.07031	45.5
95.04967	49.6
95.08607	24.8
97.06506	5.1
97.10156	9.6
99.08070	3.8
105.07039	22.7
107.08587	24.0
109.06497	9.0
109.10156	23.9
111.08064	3.6
117.06961	3.6
117.85964	3.5
119.07836	2.8
119.08542	19.2
121.10135	15.4
123.11694	9.5
125.09631	11.3
129.06985	2.8
133.10114	18.5
135.08038	5.0
135.11694	11.3
137.13231	3.6
143.08572	4.1
145.10072	4.3
147.11685	17.0
149.13295	8.8
151.11177	60.9
153.09052	4.0
157.12141	3.4
161.13255	15.3
163.14835	6.3
165.12735	9.9
171.10248	3.2
171.11668	7.8
173.13307	3.6
175.14807	4.6
177.12773	3.3
179.14278	7.7
199.14487	3.1
207.13719	4.4
210.07762	3.1
225.13696	3.3
231.21121	10.0
241.19545	8.8
249.22186	10.6
259.20596	11.0
277.21591	100.0
292.68359	3.5
295.22803	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	295.2264
Annotation	9(S)-HOTrE
Peak:m/z	Relative Intensity
53.03933	6.7
55.01869	68.9
55.05508	41.3
56.22813	1.9
57.03440	3.1
57.07066	9.1
67.05499	44.1
69.03413	2.9
69.07060	25.8
70.97216	5.2
70.97548	2.5
71.04976	4.3
71.08633	21.3
79.05479	33.4
81.03407	11.6
81.07054	50.5
83.04975	14.6
83.08605	29.3
85.06528	4.7
85.10189	17.4
91.05463	34.2
93.07040	25.9
95.04976	13.4
95.08596	36.3
97.06516	25.0
97.10162	6.9
99.08107	12.4
105.07020	28.7
107.04936	5.5
107.08573	20.6
109.06502	9.5
109.10150	16.1
111.08072	71.7
112.69363	2.4
112.88503	2.0
113.09636	16.3
114.01369	2.2
117.07018	5.2
119.08589	17.1
121.10140	12.4
123.08021	3.9
123.11705	6.2
125.09620	6.4
127.11157	3.0
129.07051	2.8
131.08560	5.9
133.10124	29.3
135.08058	3.4
135.11674	12.0
135.60544	1.9
137.09607	5.6
137.13214	3.1
138.65877	2.0
139.11212	3.0
145.10094	5.8
147.11696	17.6
149.09627	7.5
149.13231	10.1
151.11194	18.2
153.12737	4.8
157.10091	2.4
159.11673	2.9
161.13261	10.1
163.11168	6.2
165.12724	29.4
167.14336	3.0
171.11659	4.7
173.13271	4.2
175.11133	4.1
175.14844	2.7
179.14253	12.8
187.14774	2.3
189.12798	2.1
193.12256	3.5
199.14609	3.4
205.39609	2.2
207.13693	2.8
231.21082	5.3
241.19662	5.5
249.22089	6.1
249.66940	2.5
259.20578	11.4
277.21600	100.0
295.22659	70.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2265
Annotation	9R-Hydroxy-10E,12Z,15Z-Octadecatrienoic acid
Peak:m/z	Relative Intensity
50.94076	2.1
53.03932	4.7
55.01867	16.7
55.05506	99.5
67.05495	48.8
69.07056	17.8
70.58777	7.9
71.04974	4.4
72.89674	2.4
79.05475	27.8
81.03392	10.0
81.07044	47.0
83.04963	8.2
83.08610	100.0
85.06528	6.0
86.26831	2.3
91.05476	36.8
93.07035	24.7
95.04948	9.1
95.08595	23.0
97.06519	14.2
97.10142	3.0
99.08068	5.0
100.74259	2.2
101.59525	2.2
101.87256	2.4
105.07018	30.4
105.68652	2.0
107.08591	15.9
109.06496	8.4
109.10144	7.0
111.08057	31.6
113.06022	2.1
117.06988	3.9
119.08562	17.0
121.10157	14.0
123.11699	5.0
129.07002	9.3
131.08571	6.5
133.10115	38.2
135.11693	6.3
139.11142	13.2
142.07753	2.4
145.10112	3.4
147.11638	21.9
149.09604	10.1
149.13232	19.6
151.11169	11.7
157.10132	13.4
159.11682	4.2
161.13229	4.1
165.12735	16.5
167.14285	5.8
171.11751	2.9
175.11125	10.3
175.14778	3.7
179.14220	2.9
185.13199	3.2
189.12691	3.0
193.12277	3.9
210.49016	2.7
221.15269	2.9
241.19479	9.4
248.42827	2.1
259.20471	6.7
277.21640	40.5
295.22684	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	295.2266
Annotation	9-Oxo-10,12-octadecadienoic acid
Peak:m/z	Relative Intensity
51.65271	2.3
53.03930	5.1
55.01870	17.7
55.05508	37.6
56.96589	2.4
57.03437	5.4
57.07070	36.0
59.04980	2.9
65.03956	2.6
66.29932	2.5
67.05498	54.6
69.07063	22.8
69.87874	5.3
69.88287	8.8
71.04985	3.0
71.08625	24.4
73.02911	8.7
79.05482	34.8
81.03412	13.6
81.07046	42.2
83.04969	16.1
83.08610	35.4
85.02896	35.6
85.06548	3.6
86.09677	4.1
91.05465	22.1
93.07027	40.1
94.31149	2.5
95.04951	20.4
95.08601	37.1
97.06512	9.3
97.10165	7.8
98.20791	3.2
99.08070	14.6
101.02360	16.8
105.07023	16.1
107.04992	3.4
107.08587	17.7
109.06508	9.5
109.10146	18.2
111.08065	8.3
117.07072	3.6
119.08580	18.6
121.10128	19.4
123.08021	5.8
123.11710	4.9
125.00060	3.0
125.09607	7.0
131.08560	3.4
133.10092	17.7
135.08052	3.6
135.11682	9.5
137.05960	7.0
137.09578	13.7
139.11163	17.0
145.10095	6.8
147.11691	11.3
149.13261	6.9
151.11168	23.0
153.12804	2.9
157.10062	3.3
159.11610	3.8
161.09622	5.5
161.13231	7.1
163.11180	3.2
165.05478	2.8
165.12743	11.2
167.14183	3.2
175.11157	14.6
176.16736	2.4
179.14308	9.1
184.07338	8.5
185.13156	3.0
193.12274	11.6
202.63660	2.5
203.10612	3.8
221.11705	29.3
221.15268	5.7
239.12805	6.6
242.82808	2.1
249.18564	3.8
249.21991	2.5
250.10231	2.4
259.20630	8.2
277.21579	76.0
295.15839	3.0
295.19400	5.3
295.22659	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2265
Annotation	Pseudopyronine B
Peak:m/z	Relative Intensity
55.05500	24.7
66.87045	16.2
67.05484	43.9
69.07052	23.7
69.90247	100.0
79.05464	22.4
81.07037	58.3
83.08594	24.5
85.10149	69.9
86.10797	13.9
91.05466	31.2
93.07018	42.3
95.04958	22.4
95.08572	41.8
105.07043	32.9
113.09649	98.3
119.08639	16.3
121.10130	24.7
165.12729	61.1
167.62273	17.5
243.51849	16.1
277.21494	57.4
295.22626	71.5
299.18552	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	295.2264
Annotation	9-OxoODE
Peak:m/z	Relative Intensity
53.03928	5.7
55.01870	30.9
55.05508	40.2
57.03428	5.8
57.07067	14.1
60.70493	4.2
65.77859	4.9
67.05503	74.8
69.03424	5.5
69.07075	30.6
69.57625	4.5
70.10048	4.6
71.05006	6.5
71.08627	29.5
71.26147	11.4
73.50471	4.2
79.05486	40.1
81.03413	18.7
81.07050	71.4
83.04967	20.3
83.08627	28.9
85.06554	5.7
85.10171	10.0
85.46378	4.0
91.05479	39.0
93.07034	52.5
95.04981	25.5
95.08600	46.9
97.06530	23.0
97.10143	16.7
99.08105	19.0
105.07015	25.6
107.08595	33.1
109.06521	4.3
109.10161	25.5
111.08054	34.2
113.09611	15.2
117.07037	6.6
119.08576	16.3
121.06454	4.9
121.10109	13.4
123.08057	9.6
123.11646	6.5
125.09610	9.5
129.07034	5.8
131.08588	11.1
133.10153	22.5
135.08006	4.5
135.11707	18.7
137.09604	9.8
139.11148	7.5
145.10147	6.6
146.86165	4.4
147.11681	23.1
149.09540	6.7
149.13268	11.2
151.11168	26.5
161.13300	11.1
163.11188	12.8
165.12724	25.3
171.11700	5.7
175.14879	6.2
179.14279	9.2
204.95657	4.8
241.19418	7.4
243.71709	4.1
249.22191	11.7
259.20749	7.3
277.21573	100.0
295.22650	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	295.2264
Annotation	(11R)-Hydroxy-6(Z),9(Z),12(Z)-octadecatrienoic acid
Peak:m/z	Relative Intensity
55.01870	3.3
55.05509	23.5
57.03410	2.1
59.04982	2.0
63.15998	1.8
63.35452	1.7
67.05501	61.2
69.07061	35.8
71.04371	4.0
71.05009	9.8
79.05486	23.0
81.07054	41.4
83.04967	6.0
83.08605	4.3
85.06528	2.3
91.05466	12.3
93.07036	59.6
95.04957	4.1
95.08601	100.0
97.06511	7.5
97.10153	8.3
97.21516	2.2
105.07025	9.7
107.08604	16.0
109.10144	10.7
117.07021	3.0
119.08583	11.7
121.10144	30.1
123.11709	3.7
131.08560	4.5
133.10133	11.8
135.11694	14.1
137.09579	2.8
137.13222	2.2
139.11177	13.7
145.10114	4.7
147.11684	6.3
149.13242	7.2
151.11125	2.6
159.11749	3.1
161.13184	3.0
171.11682	2.0
173.13246	2.7
187.13313	2.5
203.12723	9.4
241.19484	3.7
259.20612	16.2
277.21594	64.0
295.22598	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2264
Annotation	9(S)-HOTrE
Peak:m/z	Relative Intensity
53.03936	3.1
55.05512	18.6
57.03410	4.1
57.07059	7.1
65.07646	2.0
65.25191	1.9
67.05499	33.0
69.07066	23.1
69.16314	1.9
70.13815	9.0
70.90085	1.8
71.04980	2.7
79.05484	30.1
81.03411	2.0
81.07042	39.9
83.04967	6.1
83.08614	11.2
85.06517	4.7
91.05458	17.4
93.07026	42.8
95.04961	5.7
95.08591	37.9
97.06516	13.1
97.10161	5.8
99.08079	2.2
99.23199	2.0
101.28217	1.9
105.07018	20.2
107.08575	30.7
107.81156	1.7
109.06515	5.2
109.10151	16.5
111.08082	3.3
117.07011	4.2
119.08586	10.4
121.10121	15.3
123.08076	5.5
123.11734	5.1
131.08536	8.5
132.99084	2.3
133.10088	9.0
135.08060	2.5
135.11671	27.9
137.09631	2.4
139.11125	2.5
143.08505	3.6
145.10063	3.8
147.11674	11.0
149.13260	13.0
151.11111	3.9
157.10201	2.3
159.11656	3.5
161.13208	3.4
163.11163	3.3
163.14803	2.7
171.11732	3.0
173.13293	4.6
175.14839	3.3
179.14265	3.9
185.13196	3.4
195.13757	2.0
207.13739	2.7
221.15356	6.8
241.19490	8.1
249.22371	2.3
259.20599	18.8
277.21585	100.0
278.21988	2.3
295.22760	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	295.2265
Annotation	9(S)-HOTrE
Peak:m/z	Relative Intensity
53.03936	18.3
55.01857	7.6
55.05503	25.0
57.07062	10.3
58.78897	4.5
59.01559	4.3
67.05498	56.8
69.06719	6.9
69.07065	47.1
69.32043	7.2
69.32444	38.2
71.08639	7.8
79.05479	40.8
81.03413	75.7
81.07045	70.2
83.04971	20.2
83.08605	20.8
84.69184	4.6
87.68895	4.9
91.05468	27.2
93.07034	48.6
94.54995	4.0
95.04955	41.3
95.08601	34.4
99.08096	7.5
105.07040	29.0
107.08573	31.3
109.06513	8.9
109.10139	16.4
111.08064	9.3
113.09623	6.0
117.06992	8.1
119.08569	13.3
121.10130	19.3
121.34421	4.7
123.08041	5.5
123.11719	8.7
125.09614	7.6
131.08519	5.3
133.10062	21.9
135.11674	7.8
147.11646	11.5
149.13268	14.1
151.11185	28.2
153.09077	5.7
157.76587	5.0
161.13254	18.3
165.12721	8.0
171.11688	6.3
189.11107	5.0
199.37434	5.3
231.21033	5.2
241.19469	12.7
249.22021	6.7
250.31741	4.6
259.20560	8.5
277.21603	100.0
290.36588	4.3
295.22577	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	295.1902
Annotation	Nordihydrocapsiate
Peak:m/z	Relative Intensity
55.01857	6.9
55.05511	8.6
57.07061	2.7
60.45805	1.2
67.05486	9.6
67.36060	1.3
69.07053	5.0
69.86153	1.2
70.23381	5.5
71.04967	1.7
71.08611	2.4
79.05498	7.5
81.07050	30.5
83.04961	2.3
83.08612	4.8
91.05479	4.6
93.07023	5.7
95.04939	2.1
95.08597	8.5
97.06488	2.3
99.08118	1.8
105.07014	4.2
107.08570	3.6
109.06515	12.3
109.10090	1.6
111.04424	10.3
119.08567	4.1
121.10118	4.7
123.08031	1.9
123.11736	1.9
125.05997	3.2
128.66115	1.3
133.10101	5.4
135.08055	2.2
135.11674	4.1
137.05965	100.0
137.09523	1.9
137.13255	2.4
139.11217	1.7
143.08575	1.8
145.10136	1.9
147.11687	6.8
149.09642	4.2
149.13275	1.7
151.07520	2.2
157.10074	2.0
161.09604	4.9
161.13229	2.4
163.11206	3.3
165.09061	2.1
165.12648	1.5
175.11189	3.8
179.10712	2.4
193.12173	1.6
198.99326	1.7
203.17920	4.3
213.16341	2.3
221.18918	2.1
230.18904	1.4
231.17435	8.8
234.18854	1.3
249.18442	10.0
265.74338	1.4
277.17950	28.0
277.21323	5.7
287.21371	1.3
295.18976	8.3
295.22617	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	295.1898
Annotation	Nordihydrocapsiate
Peak:m/z	Relative Intensity
53.03951	2.5
55.01866	18.3
55.05515	12.1
57.07084	2.7
67.05494	11.7
69.07059	7.1
70.27247	8.7
71.04021	2.1
71.08630	3.3
74.15219	2.2
79.05479	10.3
79.17690	2.0
81.06592	2.8
81.07047	36.1
83.08608	9.9
91.05475	6.8
93.07025	10.7
95.08605	12.7
97.06515	3.5
105.07008	6.3
107.08562	9.2
109.06517	16.3
109.10136	3.9
111.04449	10.9
111.08072	17.6
119.08596	5.3
121.10178	5.1
123.11665	3.2
125.05987	4.7
129.07043	2.6
131.08601	3.2
133.10089	8.4
135.08015	2.3
135.11679	5.1
137.05965	100.0
137.13168	3.0
147.11690	6.4
149.09587	5.4
149.13213	2.3
151.07573	4.8
151.11185	5.3
161.13300	5.3
163.11201	3.4
165.09143	3.1
175.03960	2.7
175.11159	6.3
179.10594	3.0
203.17928	6.2
205.71596	2.3
231.04022	2.5
231.17401	9.4
249.18480	10.8
277.17941	29.7
277.21564	15.8
295.19058	8.4
295.22617	5.5
296.25500	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	295.0122
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00298	0.5
56.05032	0.6
56.96560	100.0
64.33145	0.5
66.75182	0.5
67.05499	0.6
69.03424	0.8
69.07068	1.0
70.06577	0.6
70.98109	1.2
71.95259	1.8
72.08133	0.8
72.96037	1.1
74.97601	19.2
81.07062	1.1
84.04495	1.5
84.08134	3.8
84.96027	1.8
85.02901	1.9
85.04021	0.8
85.45340	0.5
86.09705	1.5
86.97594	2.7
88.03989	1.0
90.94821	0.6
91.05486	1.4
92.98633	3.5
93.07043	0.7
95.04974	0.8
95.08543	0.8
97.02884	0.6
97.99190	0.9
98.20731	1.2
98.97556	1.3
102.97069	0.5
103.05458	2.3
107.04928	3.9
114.97052	1.3
116.98609	1.4
120.08095	28.6
128.98555	0.9
129.10205	2.0
132.95859	1.7
132.98056	4.8
134.99640	0.8
136.07597	2.1
144.95755	0.8
146.99623	0.8
147.04402	0.9
148.06044	2.5
150.07726	2.5
150.96925	1.6
150.99127	37.2
162.96918	0.8
163.00673	1.3
165.02242	2.1
169.00204	28.7
169.01709	1.5
170.99597	1.0
172.00490	0.8
174.00725	3.1
174.96855	1.6
175.00696	1.5
175.04243	0.7
176.05136	0.7
181.01715	4.8
181.03218	0.8
183.03275	4.5
185.01239	1.7
186.96902	0.8
187.01262	1.0
187.02805	1.9
192.01865	1.2
193.01711	43.5
194.99556	1.3
197.01208	1.9
198.96761	0.6
199.02771	1.6
201.04356	6.3
202.04791	0.6
203.02226	4.1
204.97983	1.5
209.01190	0.8
211.02760	92.9
212.03300	0.8
213.00679	2.0
215.02344	0.6
216.97920	0.7
222.99130	4.8
227.02226	2.8
229.03815	6.7
234.04387	7.5
234.99072	0.9
237.00635	2.8
241.00179	0.9
245.03365	5.1
251.02182	2.0
252.99979	0.9
255.01730	21.3
256.02115	0.7
267.01758	1.1
269.03296	3.5
270.21753	0.6
273.02771	9.0
278.03333	1.5
285.02795	1.7
295.01022	0.9
295.08572	0.6
295.12802	2.8
298.57312	0.6
313.02228	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.115
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	0.7
56.05014	0.5
57.04542	1.3
69.03424	0.7
69.07058	0.3
70.06576	1.4
71.52386	0.5
72.08143	1.8
79.05472	0.5
81.03417	0.6
81.07040	0.7
84.04485	0.6
84.08138	3.6
84.59014	0.3
85.02882	1.1
86.09697	2.0
87.05614	0.4
88.03969	0.8
91.05481	4.4
94.04050	2.4
95.08594	0.6
96.05592	0.4
97.02885	3.1
103.05488	0.5
105.03370	0.6
107.04939	0.8
109.05134	0.4
109.13543	0.3
110.07171	0.5
112.05097	0.5
117.06997	0.6
119.04907	1.9
120.08096	2.4
121.06467	0.6
123.06655	2.5
128.06241	0.4
129.06970	0.5
129.10231	1.5
133.05051	0.6
136.07568	10.4
137.05925	1.4
145.06497	0.7
147.04427	0.5
148.06189	0.5
150.07735	100.0
151.07532	1.2
161.05992	0.4
162.05547	0.4
163.07565	0.4
171.07990	0.4
172.05078	0.3
175.07516	0.7
179.07018	0.7
181.06467	0.5
181.08514	0.4
189.09050	0.8
199.07524	0.4
203.07155	0.3
203.10570	0.4
205.08557	0.7
213.12595	0.4
215.07208	0.3
217.08675	0.5
221.05885	0.4
221.08067	0.4
259.09613	0.8
277.10971	0.7
295.06030	0.6
295.11490	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	295.165
Annotation	Tyr Leu
Peak:m/z	Relative Intensity
53.03936	0.3
55.05490	0.3
56.05007	0.5
56.96562	0.3
57.03438	0.3
59.04998	0.2
65.03928	0.4
69.03408	0.5
69.07063	0.7
69.28943	2.5
70.06586	1.6
72.08137	0.9
74.02425	0.5
75.52621	0.2
79.05499	0.3
80.36194	0.3
81.07053	0.5
83.43008	0.2
84.04504	0.6
84.08131	1.9
85.02881	0.4
86.09703	5.9
88.03996	0.5
91.05473	24.4
93.07037	0.4
95.04964	0.3
95.08574	0.3
97.02868	0.8
98.21666	0.4
99.04428	0.3
105.03381	1.3
105.06960	0.4
107.04935	1.1
109.02902	0.3
109.06513	0.9
110.07161	0.4
118.06503	1.3
119.04932	16.3
120.05267	0.3
120.08092	0.8
121.06487	3.0
122.06036	0.3
127.03898	0.3
129.10239	1.1
130.08623	0.8
131.08582	0.3
132.10181	1.8
136.07565	100.0
137.07928	0.6
144.12537	0.2
145.06468	0.4
147.04410	0.7
150.07742	1.4
156.28398	0.2
162.05501	1.1
164.07034	0.3
170.60910	0.2
177.05472	0.5
182.03313	0.2
249.15993	1.2
250.14294	0.5
253.09644	0.4
277.11765	0.4
278.13913	1.1
295.06165	0.3
295.16483	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	294.2063
Annotation	Nordihydrocapsaicin
Peak:m/z	Relative Intensity
55.01861	0.6
55.05500	1.3
57.07066	0.9
58.02953	0.4
67.05498	1.9
69.07064	0.9
69.95519	1.8
79.05477	1.9
81.07043	2.8
82.07375	0.5
83.08611	0.5
91.05466	1.0
93.07030	1.0
94.04163	2.8
95.04934	0.7
95.08601	0.7
96.05292	0.4
106.07388	0.3
107.04976	0.8
107.08582	0.8
109.06519	0.9
109.10149	0.5
116.05028	0.3
121.10093	0.6
122.03628	7.8
123.11670	1.8
132.68083	0.4
133.09988	0.5
137.05965	100.0
138.06270	0.9
139.11185	0.4
147.11713	0.3
158.15411	1.9
170.15376	2.0
276.20328	1.1
277.21643	0.4
278.56299	0.3
294.21155	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	294.2062
Annotation	DESMETHYLDIHYDROCAPSAICIN
Peak:m/z	Relative Intensity
55.05488	1.2
56.94751	0.4
57.07055	1.0
67.05496	2.0
69.07047	0.6
71.08617	1.1
71.52628	0.6
72.94334	0.3
74.06018	0.3
79.05469	1.1
81.07030	1.4
83.08617	0.5
91.05460	1.0
93.07009	0.9
94.04164	2.6
95.04982	0.3
95.08607	1.9
99.10767	0.3
105.07024	0.5
109.06487	0.6
109.10178	0.4
112.36794	0.3
121.10152	0.7
122.03629	5.9
123.11683	0.4
137.05957	100.0
138.06287	1.3
141.12729	2.5
158.15364	1.6
158.33060	0.4
166.73946	0.4
173.12758	0.4
173.15651	0.4
277.21732	1.0
294.20676	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2472
Annotation	Methyl alpha-Eleostearate
Peak:m/z	Relative Intensity
51.25578	0.5
53.03947	1.1
55.01867	0.6
55.05503	7.4
57.07077	1.6
58.22066	0.5
65.03938	0.8
67.05500	82.4
68.65655	0.7
69.07066	8.4
69.39906	4.9
77.56245	0.6
79.05489	9.1
81.07049	100.0
83.04998	1.2
83.08619	5.5
85.06535	1.9
86.68741	0.7
91.05447	4.2
93.06480	1.0
93.07036	11.1
95.04951	1.5
95.08598	68.4
97.06514	1.8
97.10165	2.2
105.06988	3.1
107.07885	0.7
107.08578	8.8
109.06524	1.3
109.10146	36.1
111.08087	1.0
117.06987	2.3
119.08593	4.4
121.10120	7.5
123.08065	1.3
123.11697	20.9
131.08566	4.5
133.10114	3.1
135.07901	0.7
135.11674	6.5
137.09627	1.4
137.13243	8.2
141.09094	0.9
145.10075	2.7
147.11642	2.7
149.09576	1.7
149.13235	3.8
150.24023	0.6
151.11143	1.5
151.14769	2.2
159.11620	2.5
159.12891	0.5
161.06972	0.6
161.13217	2.1
162.48347	0.6
163.11157	1.4
163.14787	2.0
165.12741	1.0
173.13269	4.1
177.12685	1.7
177.16328	1.1
179.14340	0.6
187.14755	2.2
191.14194	1.0
205.15723	0.6
212.18138	0.7
219.20999	0.7
237.18465	0.9
242.36562	0.6
243.20995	4.6
251.19868	0.6
261.22177	4.8
293.21204	1.6
293.24670	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	293.2834
Annotation	SCHEMBL8161733
Peak:m/z	Relative Intensity
53.03936	3.3
55.01860	5.8
55.05505	32.6
56.20620	1.6
56.96549	3.6
57.03424	2.2
57.07065	19.1
67.05498	37.0
69.03411	4.4
69.07058	68.2
69.35770	13.3
71.04967	4.0
71.08623	9.5
79.05482	24.7
81.07045	100.0
83.04966	4.9
83.08607	44.5
85.06530	16.8
85.10149	3.1
91.05467	11.8
93.07030	29.5
95.04965	10.3
95.08594	89.2
97.06525	10.3
97.09669	1.3
97.10174	20.3
99.08086	9.6
102.99233	1.4
105.07017	10.0
107.04949	2.1
107.08582	46.5
109.06502	5.6
109.10143	68.8
111.08054	14.3
111.11690	12.3
113.09636	3.0
116.98595	3.3
117.06999	4.0
118.24224	1.6
119.08572	5.7
121.06506	3.9
121.10136	27.1
123.04411	9.1
123.08027	3.2
123.10829	3.1
123.11687	45.2
125.09599	10.0
125.13260	2.6
131.08508	3.5
133.10083	6.2
134.99625	3.2
135.07996	4.2
135.11699	9.4
137.09598	2.5
137.13229	16.2
139.11134	5.3
139.14755	2.4
145.10074	5.9
147.11671	4.8
148.03947	2.4
149.09570	5.1
149.12059	2.0
149.13249	32.8
151.11147	2.8
151.14793	4.6
153.12732	3.8
155.08478	1.6
158.22878	1.6
159.11687	2.4
161.09618	2.8
161.13284	1.6
163.11139	1.9
163.14780	7.4
165.16402	3.7
167.10620	2.5
167.14284	5.5
173.13185	3.0
179.10625	4.7
179.17932	2.7
181.39368	1.5
187.14839	1.8
191.14192	1.7
191.17850	1.9
193.19496	2.7
201.12865	2.0
205.12265	2.2
207.13939	2.0
209.18961	1.6
219.13930	2.2
233.15125	1.8
239.17401	1.6
249.25754	3.2
257.19083	2.6
275.20035	16.6
275.27335	8.9
293.10425	2.2
293.14911	1.5
293.21075	47.6
293.28305	45.9
293.30966	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2108
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
53.03934	9.7
55.00214	4.4
55.01862	12.7
55.05506	44.8
67.05499	53.1
69.03412	4.8
69.07066	25.0
69.22787	25.0
69.23214	15.0
71.04984	8.9
79.05494	57.1
81.03410	26.3
81.07048	76.1
83.04971	10.3
83.08614	57.4
91.05463	38.5
93.07045	34.6
95.04963	63.7
95.08595	26.6
97.06542	9.2
97.10149	16.7
98.20645	4.3
105.07015	33.7
107.04951	19.3
107.08577	29.2
107.09212	4.0
109.06512	19.6
109.10144	12.0
111.08083	7.8
117.07010	10.4
119.08555	31.5
121.06466	7.2
121.10154	18.1
123.08086	7.0
123.11650	4.7
125.09624	17.7
131.08545	16.7
133.10144	15.9
135.08041	7.8
135.11664	10.7
137.09627	6.5
137.65004	3.9
145.06490	5.3
145.10109	30.2
147.08130	4.3
147.11667	16.5
149.09608	34.5
149.13258	4.3
151.11151	13.8
159.11716	8.6
161.09624	4.0
161.13274	4.8
163.11159	28.5
165.12727	8.9
171.11690	3.9
173.09622	10.7
176.40254	4.0
177.12772	4.2
189.11201	7.2
191.10596	6.5
223.13277	12.5
239.17804	7.2
247.20697	4.7
257.19009	9.0
275.20041	76.6
293.17816	8.9
293.21082	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2108
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
50.62806	2.3
50.72524	2.3
53.03931	4.7
55.01857	9.5
55.05512	23.6
64.75309	2.3
67.05177	4.1
67.05503	51.3
68.05843	2.3
69.03403	2.8
69.07067	24.1
69.80323	13.5
71.04985	2.8
77.03920	2.4
79.05493	38.8
81.03407	11.0
81.07054	70.0
83.04977	7.2
83.08618	13.8
91.05480	33.1
93.07034	33.5
95.04975	11.7
95.08610	27.2
97.06528	15.6
97.10149	11.6
105.04527	3.5
105.07026	34.4
107.04932	11.2
107.08587	40.0
109.06519	20.7
109.10147	15.8
111.08064	4.5
113.75907	2.3
117.07011	12.0
119.08585	27.7
121.06480	6.3
121.10156	17.6
123.08043	8.2
123.11707	4.5
125.09623	8.6
129.66740	2.5
130.07686	2.4
131.08563	17.2
131.15091	2.4
133.10120	18.9
135.08080	4.3
135.11664	8.5
137.09613	5.9
139.11203	2.5
143.08522	3.7
145.10085	17.9
147.11661	15.7
149.09621	18.6
149.13324	4.2
151.11145	7.0
157.10158	4.2
159.11703	9.5
161.13200	5.0
163.11179	10.6
165.09160	4.6
165.12616	3.1
173.13258	7.0
175.11026	3.0
177.12767	3.8
183.11523	3.3
189.11272	5.0
197.13208	3.2
229.19582	6.4
239.17906	9.3
247.20496	5.9
257.18961	13.2
275.20071	100.0
293.21109	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	293.2106
Annotation	9-OxoOTrE
Peak:m/z	Relative Intensity
53.03934	5.4
55.01869	6.4
55.05501	61.4
60.19836	3.6
62.13901	2.8
62.39355	3.2
67.05494	48.5
68.38581	3.0
69.07048	13.8
69.86657	17.9
71.04976	4.0
79.05481	93.8
81.07043	31.8
83.04974	14.6
83.08601	25.1
88.93548	3.0
91.05461	29.7
93.07024	41.2
95.04971	4.8
95.08583	13.9
97.10164	32.6
98.20860	6.6
105.07002	26.8
107.04939	49.8
107.08570	70.4
109.06471	4.6
109.10130	16.0
111.08042	3.7
117.07027	10.9
119.08564	23.6
121.10093	15.6
123.11690	10.2
125.09589	32.2
129.06970	3.1
131.08543	11.3
133.10078	19.8
135.08014	6.9
143.08501	3.2
145.10153	9.9
147.11647	16.8
149.09599	90.7
153.09077	4.8
158.20395	3.1
159.11627	3.5
161.13184	6.3
161.66177	3.2
169.12328	4.2
171.10208	5.5
173.11798	7.2
173.13112	5.8
183.11710	3.5
189.11205	34.8
189.12785	5.2
215.17957	3.7
229.02921	3.2
229.19598	6.7
247.20692	3.6
251.57588	3.3
257.18951	27.2
275.20010	100.0
293.21170	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	293.2108
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
51.57568	3.3
53.03950	4.8
55.01858	6.5
55.05507	29.9
57.07069	5.3
58.67575	3.4
62.74677	3.9
67.05499	87.2
67.93765	4.4
69.03420	4.6
69.07063	18.0
70.97658	4.0
70.98005	9.0
71.04990	7.0
71.52174	3.6
79.05483	42.0
81.03398	10.8
81.07051	82.3
83.04983	9.6
83.08614	21.2
85.06516	4.0
89.22903	3.8
91.05486	32.0
93.07043	46.2
94.35305	3.3
95.04974	26.1
95.08602	79.7
97.06528	10.6
97.10159	7.6
105.07005	20.9
107.04933	17.0
107.08581	34.0
109.06515	10.4
109.10140	34.2
111.08080	8.8
117.06993	12.6
119.08571	24.7
121.06498	7.3
121.10126	27.5
123.08028	7.6
123.11687	13.0
125.09592	9.0
129.07018	4.6
131.08583	18.4
131.57648	3.9
133.10138	27.8
135.08040	8.3
135.11671	11.0
137.09628	9.1
137.13240	6.4
139.11148	4.4
145.10117	21.2
147.11684	19.4
149.09622	42.1
149.13293	5.6
151.11201	11.1
153.09088	4.7
155.08534	5.8
159.11699	12.2
161.13219	5.7
163.11220	28.7
163.14861	6.4
165.12708	7.4
169.10120	4.8
171.18964	4.1
173.09573	4.7
173.13199	10.4
175.11182	6.3
177.12790	7.5
184.53963	4.0
189.11154	5.7
191.10617	4.0
191.14265	5.6
197.13217	7.0
213.12871	4.0
223.13338	3.6
229.19394	5.4
235.91309	4.1
239.17896	16.2
247.20537	5.8
257.18964	26.9
261.22183	3.7
275.20068	100.0
287.74567	3.7
293.21164	36.0
293.24445	5.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2108
Annotation	12-OPDA
Peak:m/z	Relative Intensity
53.03933	1.1
55.01855	3.4
55.05269	1.4
55.05505	14.1
56.69799	0.8
57.03410	2.7
57.07066	1.8
62.21284	0.9
65.03939	1.1
67.05498	30.7
67.24760	0.9
69.03429	1.7
69.07056	24.6
70.71479	2.9
71.04982	1.3
77.03899	1.0
79.05488	18.4
81.06596	1.7
81.07047	28.2
83.04968	7.2
83.08620	4.7
85.06534	1.1
91.05464	17.1
93.06478	1.7
93.07032	23.6
95.04963	6.9
95.08597	18.4
97.06525	3.9
97.10187	1.3
105.07020	23.2
107.04951	5.3
107.08582	13.6
107.13049	0.9
109.06504	11.9
109.10126	9.7
111.08054	1.9
111.50643	1.2
117.07004	7.2
119.08579	12.2
119.71998	0.8
121.06488	9.4
121.10123	7.6
123.08048	3.6
123.11692	2.4
125.09610	1.7
125.60677	0.9
126.00259	1.0
128.16681	0.9
129.06949	2.0
131.08542	15.7
133.06468	1.7
133.10114	18.1
135.08038	4.4
135.11662	4.2
137.09653	1.8
139.75645	0.9
141.06908	1.4
143.08517	2.9
145.06482	1.9
145.10095	9.4
146.10516	1.0
147.08051	2.0
147.11661	11.6
149.09581	6.4
149.13248	3.4
151.11145	7.3
155.08414	1.0
157.10059	2.2
159.08032	1.6
159.11641	5.4
161.09602	4.0
161.13251	2.3
163.11104	4.3
169.10107	1.3
171.11664	2.6
173.09575	2.0
173.13232	4.1
174.74286	1.1
175.11172	2.3
177.12778	1.5
183.11649	1.1
185.13159	1.1
187.11145	2.4
187.14754	1.6
191.14268	2.0
197.13289	1.4
201.12720	3.8
207.13762	2.5
213.16365	1.0
215.14217	1.3
215.17888	1.3
219.13857	5.1
225.14725	1.1
228.95633	1.2
229.19490	2.3
231.17287	1.4
233.18982	1.6
239.17894	3.5
247.20589	2.5
257.18951	15.5
275.20026	100.0
276.20270	3.2
293.21033	25.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2107
Annotation	12-OPDA
Peak:m/z	Relative Intensity
53.03925	6.6
55.01871	18.5
55.05503	22.9
57.03416	4.0
67.05502	35.4
69.03407	2.7
69.07063	99.7
70.12553	9.2
71.04979	3.5
71.83778	2.2
73.06544	2.7
77.03871	2.4
78.89374	2.6
79.05069	3.6
79.05486	43.3
81.03409	14.9
81.06601	3.3
81.07050	53.3
81.72888	2.4
82.49558	2.2
83.04961	7.4
83.08601	6.8
85.02885	2.3
85.06521	5.4
90.61547	2.1
91.05467	24.6
93.07036	39.4
95.04964	100.0
95.08588	32.6
97.06493	14.3
97.10143	5.4
98.20842	2.5
105.07016	28.3
107.04939	17.2
107.08579	25.2
109.06527	14.0
109.10132	8.8
111.08047	2.7
117.06983	9.4
119.08556	15.7
121.06467	8.0
121.10154	15.1
123.08049	7.5
125.09653	4.3
129.06998	2.7
131.08539	19.7
133.10141	17.9
135.08037	25.5
135.11693	5.0
137.09563	6.8
139.11195	7.1
143.08496	3.4
145.10094	9.7
147.11649	11.5
149.09537	12.4
149.13246	3.4
151.11203	4.4
157.10201	2.6
159.11661	11.2
161.09540	4.2
163.11180	4.6
173.13211	7.5
173.45441	2.3
177.05421	3.9
177.12704	12.4
183.11697	2.5
201.12653	3.3
203.12622	3.5
207.13797	8.5
219.13818	4.9
219.17450	7.4
225.14832	7.0
228.79639	2.7
229.19662	3.4
237.14841	42.9
247.20508	6.7
257.18964	7.9
275.20032	71.7
276.20297	2.8
293.21057	84.1
294.21503	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2108
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
50.85205	2.6
53.03940	8.4
55.01859	8.3
55.05507	32.5
57.03432	3.8
65.03938	3.8
67.05502	38.9
69.07058	17.8
71.26451	5.6
79.05487	41.2
81.03408	9.1
81.07050	100.0
82.01311	2.6
83.04979	7.0
83.08600	22.6
88.58574	2.7
91.05485	22.4
93.07045	22.8
95.04937	13.3
95.08597	19.2
97.06528	3.3
97.10158	21.8
99.08073	2.8
105.07024	23.4
107.04944	8.8
107.08576	26.4
109.06509	37.1
109.10117	7.9
111.08078	4.6
117.07000	3.9
119.08578	20.1
121.06472	4.8
121.10159	9.3
123.08028	6.2
123.11720	6.2
125.09645	15.0
131.08562	11.6
133.10129	21.5
135.08043	7.4
135.11678	4.3
137.09599	6.6
145.10117	8.7
147.11685	12.2
149.09608	10.6
151.11224	3.7
155.08623	2.9
157.10159	3.6
159.11752	4.4
161.13290	3.2
163.11192	6.2
163.14751	2.7
165.12752	4.5
189.11214	9.0
193.12207	3.1
229.19632	3.6
247.20566	5.8
257.19012	11.1
275.17282	5.4
275.20029	49.1
293.21078	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	293.2107
Annotation	12-OPDA
Peak:m/z	Relative Intensity
53.03933	2.9
55.01861	2.3
55.05500	3.6
55.60714	0.9
57.03418	1.4
59.16935	0.8
65.03934	1.4
67.05502	9.6
69.03447	1.0
69.07059	4.3
71.04986	1.4
71.26424	1.0
71.26759	1.5
71.68635	0.8
79.05489	30.1
80.79639	1.0
81.03400	2.8
81.07049	100.0
82.07393	1.7
83.04974	1.9
83.08601	2.5
91.05479	11.6
93.07045	8.1
95.04965	5.5
95.08598	5.3
97.06512	2.4
97.10172	1.2
105.07022	10.0
107.04922	2.4
107.08597	7.0
109.06508	58.0
109.10147	2.3
110.06828	1.5
111.08067	1.0
112.12588	0.8
117.07022	2.1
119.08579	10.3
121.10118	3.7
123.08051	3.5
123.11671	1.6
125.09581	1.5
129.06990	1.8
131.08554	4.0
133.10109	10.7
135.08012	1.9
135.11662	1.9
137.09549	2.2
144.44780	0.8
145.10083	2.7
147.11679	10.7
149.09598	5.1
149.13257	2.6
151.11148	2.8
157.10114	3.2
159.11708	1.5
163.11185	2.8
165.12755	3.5
165.92560	0.9
175.11096	4.5
177.12744	1.7
183.11665	0.8
193.12242	4.3
206.42366	1.1
229.19485	1.1
245.63754	0.9
247.20535	2.0
257.18954	2.5
271.10779	1.0
272.49557	0.8
275.20044	26.2
293.21060	23.2
294.21741	0.8
295.68460	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2107
Annotation	12-OPDA
Peak:m/z	Relative Intensity
53.03928	8.3
55.01877	9.2
55.05513	59.4
57.03420	6.8
67.05503	57.9
69.03423	8.6
69.07074	32.4
70.65543	10.1
70.65905	10.0
70.68938	4.9
71.04970	7.5
72.45544	4.8
77.30653	4.8
78.21033	4.6
79.05494	55.4
81.03402	22.3
81.07059	83.0
83.04963	10.3
83.08615	39.8
84.22842	4.7
91.05476	38.6
93.07034	53.4
95.04958	43.5
95.08588	32.5
97.06508	10.3
97.10155	19.8
105.07037	47.1
107.04945	20.7
107.08580	40.3
109.06510	21.1
109.10154	27.5
111.08081	14.8
117.06994	14.8
119.08575	25.7
119.16048	4.4
121.06447	7.1
121.10148	24.0
123.08062	19.1
125.09597	12.9
131.08533	16.0
133.06480	5.1
133.10086	32.2
135.08029	9.1
135.11734	13.1
137.09550	9.6
145.10118	20.4
147.11690	22.9
149.09605	37.5
151.11191	16.9
155.08478	4.8
157.10039	5.1
159.11734	11.0
161.13196	6.2
163.11163	24.3
165.12758	9.5
173.09659	9.9
173.13315	6.2
175.11261	5.1
180.01884	5.1
189.11276	11.8
209.76091	4.9
217.28647	5.7
223.13234	9.4
229.19475	6.2
247.20685	5.0
257.19006	24.6
275.20029	100.0
293.21078	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	293.2108
Annotation	12-OPDA
Peak:m/z	Relative Intensity
53.03937	4.4
55.01866	8.3
55.05512	52.4
55.42762	2.4
55.93469	2.7
57.03429	2.9
57.07068	3.5
65.03931	3.6
67.05499	51.1
69.03420	7.4
69.06772	2.9
69.07069	25.9
70.25507	4.2
70.25905	7.6
79.05487	60.5
79.60508	2.9
81.03387	6.9
81.07048	54.4
83.04971	7.6
83.08611	29.2
85.06538	3.3
88.97295	2.6
89.11289	2.5
91.05472	38.3
93.07042	42.7
95.04961	30.0
95.08611	34.8
97.06506	13.3
97.10165	25.5
98.20791	3.5
105.07028	44.9
107.04945	9.1
107.08582	100.0
109.06491	11.3
109.10132	19.7
111.08077	3.6
117.07001	14.4
119.08564	24.8
121.06486	5.7
121.10114	21.3
123.08057	3.8
123.11707	2.8
125.09631	22.3
131.08549	18.4
133.10143	22.3
134.24167	2.7
135.08008	10.6
135.11693	4.8
137.09628	15.5
139.11156	9.1
143.08521	3.7
145.10126	17.8
147.11690	14.7
149.09616	24.7
149.13283	3.8
151.11168	6.5
153.09140	2.7
157.10071	5.1
159.11693	12.3
161.09566	3.8
161.13229	3.5
163.11163	7.7
165.09084	3.2
167.10545	2.5
171.11707	3.2
173.11748	2.9
173.13159	3.7
177.12828	4.5
183.11647	4.9
189.11226	16.8
197.13272	3.1
203.12772	5.3
223.13264	5.0
237.11166	3.7
237.14861	3.3
239.17949	5.8
257.18967	8.1
275.20050	98.7
276.20306	5.5
293.21075	42.9
306.05746	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	293.2108
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
50.47532	3.4
51.56805	3.7
53.03946	22.7
55.01853	14.5
55.05272	4.6
55.05505	51.5
57.07055	9.5
62.31542	3.9
67.05493	54.8
69.07066	28.9
69.60995	26.3
71.04964	6.3
79.05489	43.3
81.03401	45.6
81.07046	63.4
82.29507	3.6
83.04963	9.9
83.08611	77.6
85.06498	3.3
91.05479	37.3
93.07040	38.6
95.04955	31.5
95.08567	20.9
97.06491	10.5
97.10139	4.2
98.21474	7.0
98.98446	3.8
105.07010	27.8
107.04945	45.1
107.08578	31.1
109.06506	15.2
109.10123	13.5
111.08054	16.3
117.06995	12.6
119.08558	20.0
121.06493	5.7
121.10133	23.0
123.08003	5.8
123.11678	4.5
125.09585	7.3
131.08531	14.5
133.10114	12.5
135.08015	9.8
135.11655	14.9
137.09555	4.0
137.13097	4.1
139.11113	4.2
145.06477	6.8
145.10114	27.3
147.11679	11.6
148.03920	6.5
149.09656	17.9
151.11095	6.6
155.08495	8.9
159.11681	11.7
161.13222	4.8
163.11183	35.6
165.12724	9.6
173.09575	20.0
173.13182	4.2
177.12689	4.9
191.10600	9.0
209.11699	11.5
237.11137	11.1
247.20627	3.9
257.19070	7.7
275.20013	49.8
293.21063	100.0
294.07523	3.6
294.21326	6.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2107
Annotation	9-OxoOTrE
Peak:m/z	Relative Intensity
53.03935	4.4
55.01862	14.7
55.05504	23.7
57.07076	16.6
59.04988	2.0
65.03919	2.4
67.05499	41.4
69.03423	1.9
69.07065	84.9
69.34482	1.8
69.53998	11.8
71.04971	4.5
71.08632	3.2
79.05487	42.0
81.03417	15.7
81.06591	3.4
81.07050	53.6
81.20810	1.8
83.04987	13.5
83.08628	10.6
85.02881	3.2
85.06522	4.1
91.05470	25.4
93.07039	32.8
95.04958	83.7
95.08600	24.7
97.06512	12.8
97.10168	9.3
105.07023	21.2
107.04949	22.1
107.08575	22.6
109.02878	2.3
109.06494	9.0
109.10144	8.8
111.04411	9.0
111.08079	2.6
117.06976	9.8
119.08577	17.0
121.06510	10.4
121.10134	19.6
123.08071	6.0
123.11674	3.6
125.05979	4.3
125.09602	6.7
131.08571	15.6
133.10098	15.3
135.04372	2.6
135.08035	22.5
135.11671	5.8
137.09590	3.9
139.11171	5.9
141.07036	2.7
143.08513	2.4
145.10085	12.8
147.11667	9.8
147.51161	1.8
149.09583	15.7
149.13304	4.9
151.11151	6.9
153.05481	10.5
159.11679	8.0
161.09621	6.1
161.13161	1.7
163.03943	3.1
163.11194	6.6
165.12794	3.0
173.13286	4.0
177.12737	9.9
181.04965	12.9
183.11676	3.5
191.10622	13.8
191.14233	2.3
195.10258	3.9
201.12737	4.1
203.12781	5.2
207.13780	6.9
209.11702	25.1
209.15356	2.0
219.10162	4.2
219.13803	3.5
223.13321	3.6
225.14842	4.7
227.75592	1.9
229.19574	2.4
237.11221	40.3
237.14815	29.3
238.11536	2.4
242.44119	1.8
247.20529	4.8
251.19112	3.1
257.18939	5.9
274.77118	2.0
275.20050	63.1
276.20444	2.7
293.21085	100.0
294.21457	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.1857
Annotation	Unknow
Peak:m/z	Relative Intensity
52.48316	0.7
55.01860	1.8
55.05508	3.7
57.03437	1.3
57.07085	1.0
57.37505	0.8
60.08159	0.8
64.09643	0.7
65.03922	0.8
67.05503	7.2
69.03413	1.3
69.07070	4.9
69.50329	5.0
70.06588	0.7
70.07352	0.6
71.04980	1.4
78.61851	0.6
79.05485	4.0
81.03447	1.4
81.07054	9.2
83.04958	1.0
83.08629	1.1
84.08157	1.0
85.02913	0.8
85.06556	1.0
86.09698	99.6
91.05477	4.9
93.07031	6.8
95.04958	3.3
95.08604	7.1
97.06519	1.9
97.10124	0.7
103.05457	2.2
105.07011	4.7
107.04965	1.0
107.08578	3.7
109.06506	1.9
109.10167	3.8
115.05431	1.4
116.56380	0.6
117.07014	2.2
119.04962	0.6
119.08584	3.3
120.08094	100.0
121.06511	6.0
121.10109	3.7
123.04307	0.6
123.08089	1.7
123.11706	2.1
125.09644	1.1
126.98450	0.7
128.06239	1.1
129.07011	1.6
131.04912	1.9
131.08557	2.5
133.06328	0.6
133.10114	2.2
134.10432	0.6
135.08040	0.8
135.11691	2.5
137.09624	1.7
145.06416	1.3
145.10130	2.8
146.06003	1.6
147.08073	0.7
147.11679	1.0
148.03912	2.6
149.02345	2.3
149.09605	1.5
149.13255	1.0
151.07558	1.5
159.08093	0.8
159.11697	1.2
161.13287	1.0
162.77837	0.7
163.07510	3.5
163.11284	0.8
173.13226	0.6
174.05566	1.1
175.07550	1.0
175.21976	0.7
179.02722	0.6
180.10181	75.7
181.08636	0.7
181.10448	1.0
181.12065	0.8
187.94080	0.8
195.29002	0.6
203.07011	1.1
212.87857	0.7
222.06709	0.8
233.16484	2.7
249.07578	0.8
250.06294	0.7
251.06638	0.7
265.08575	1.6
275.05350	1.1
275.20123	4.0
293.08005	2.7
293.11420	0.9
293.14734	2.2
293.18359	3.1
293.21103	2.9
293.24280	1.2
294.08505	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.0354
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96559	40.1
60.27835	9.0
69.68951	56.8
84.96022	9.4
85.02881	9.4
91.55699	6.7
95.44021	7.3
96.01041	8.2
98.97546	22.2
101.00879	24.6
105.02165	11.8
115.87032	7.1
116.98621	18.2
119.01908	100.0
121.01595	13.6
123.03259	8.8
137.02956	35.5
139.00896	13.1
139.02779	9.7
142.03415	9.1
143.01888	25.5
145.03429	12.8
159.05025	13.9
161.02983	63.0
163.04550	9.8
166.51439	9.4
173.02216	7.7
174.01227	29.1
177.00966	21.4
181.01900	16.4
188.51009	8.6
203.02353	10.3
205.02032	9.5
209.97974	20.4
213.13916	8.4
221.01442	10.9
230.52000	10.0
242.48746	10.1
243.99794	30.1
244.50079	13.9
245.03723	9.6
247.76770	8.8
248.00392	10.9
251.49275	25.6
251.99225	18.0
253.00366	32.1
253.50346	18.7
257.00510	9.9
264.98215	9.0
266.48718	9.5
272.95334	8.7
272.98895	10.3
275.31848	9.5
276.98230	9.6
278.47934	15.6
278.97672	22.6
280.98230	11.4
283.98834	8.2
289.98904	11.5
293.03552	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	293.0632
Annotation	Unknow
Peak:m/z	Relative Intensity
55.69702	3.5
61.88772	4.3
69.34844	9.5
69.35257	27.3
82.52341	3.5
83.93763	4.4
133.41203	3.9
143.01897	10.2
144.62885	3.9
156.03395	4.5
161.02991	4.8
173.02950	10.2
203.03975	10.0
293.06262	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.1492
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	6.1
55.05504	2.7
58.06596	29.1
59.07385	14.7
60.08162	47.0
67.05485	5.4
69.03406	1.9
69.07072	2.3
70.06585	4.1
70.48970	6.3
70.49316	1.6
72.08171	2.9
79.05477	3.6
81.07059	3.6
84.08150	2.1
85.02901	3.8
86.09695	8.6
87.04455	4.4
91.05463	3.7
92.04993	5.6
93.07022	4.1
95.04933	2.7
95.08595	5.4
103.05505	2.3
105.07038	2.3
109.06548	2.6
113.02357	18.0
116.07089	51.4
118.06561	3.4
120.04465	12.8
129.05690	4.1
130.02849	6.2
130.04080	5.3
130.06528	9.0
131.04910	2.6
131.08554	2.6
131.09439	10.5
132.04437	6.4
144.10185	4.0
146.06012	50.3
148.03925	100.0
156.04439	25.7
157.05237	67.3
158.06013	37.8
159.11835	2.0
160.07614	3.5
161.04655	2.3
164.07056	5.0
174.05511	44.4
175.06247	6.9
184.03946	10.4
185.04718	38.4
185.06285	2.7
186.05623	1.9
188.07027	5.5
202.03151	2.3
202.04979	39.3
206.08186	5.2
216.06631	4.5
217.07343	41.4
234.07640	19.0
237.02676	2.4
260.15250	3.8
275.13843	4.2
282.11453	1.7
293.14948	90.3
294.15210	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	291.2678
Annotation	9-Geranyl-alpha-terpineol
Peak:m/z	Relative Intensity
53.03925	2.9
55.01865	2.5
55.05505	33.8
57.07072	15.4
59.04985	3.0
60.35522	1.4
67.05502	30.0
69.03407	3.2
69.07059	100.0
70.06573	2.0
71.04974	5.6
71.08613	6.7
79.05489	19.1
81.07044	97.0
81.28365	1.9
83.04990	3.1
83.08607	32.2
85.06534	8.8
88.90127	1.6
91.05472	10.5
93.07031	39.9
95.04941	5.7
95.08594	86.5
97.06509	10.7
97.10134	10.3
98.21516	3.9
99.08077	4.1
105.07014	15.8
107.07893	1.5
107.08575	44.5
109.06508	5.6
109.10142	48.9
111.08079	15.6
111.11681	16.3
119.08578	13.1
121.10126	27.2
123.08070	1.9
123.11691	41.1
125.09612	4.3
125.13210	2.6
131.08560	2.9
133.10167	8.1
135.11678	23.3
135.17845	1.6
137.13252	18.8
139.11194	11.6
145.10091	2.8
146.32797	1.7
147.11673	8.9
149.13228	20.1
151.11176	1.8
151.14813	3.2
153.12738	8.3
159.11714	3.1
161.09579	2.0
161.13239	7.6
163.14783	10.9
165.12737	4.5
167.14290	2.3
175.14807	5.7
177.16368	7.8
179.14233	3.3
179.17961	2.2
188.78078	1.5
189.16531	2.1
190.10872	1.6
191.17897	3.9
203.17958	4.7
207.17751	1.7
217.19426	2.6
231.08005	1.7
235.20554	2.8
273.25717	9.5
291.19553	4.0
291.26779	50.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.268
Annotation	9-Geranyl-alpha-terpineol
Peak:m/z	Relative Intensity
53.03941	4.2
54.42094	2.8
55.01863	6.1
55.05508	85.0
57.03432	3.4
57.07071	21.1
61.53717	3.6
67.05499	38.5
69.07065	99.8
69.92429	6.5
69.92848	13.7
71.04964	4.0
71.08630	6.1
73.95081	3.0
79.05486	14.6
81.07051	100.0
81.07533	5.6
83.04975	27.7
83.08613	48.2
83.25674	2.9
85.06515	2.8
91.05481	10.0
92.68343	3.8
93.07034	37.4
95.05014	5.0
95.08601	95.4
96.08891	2.9
97.06513	7.1
97.10152	20.8
105.07018	19.4
107.08587	37.1
109.06513	11.8
109.10151	61.3
111.08055	14.9
111.11707	9.2
112.59618	3.4
119.08575	17.0
120.55433	2.9
121.10139	26.3
123.08055	6.7
123.11690	37.7
125.09635	4.8
126.65263	2.9
127.57558	2.9
131.08638	3.4
133.10132	9.9
133.46268	3.4
135.11684	19.4
137.13245	24.1
139.11150	9.0
143.08554	3.3
147.11655	16.9
149.13264	16.0
151.14824	3.7
153.12769	4.7
157.63988	3.1
159.11707	3.4
161.13280	10.9
163.14813	8.1
165.12727	9.2
165.16432	3.0
169.10175	3.0
175.14809	3.8
177.16420	7.7
191.17979	6.5
193.19565	10.2
203.18019	4.0
217.19466	8.4
235.20512	5.2
273.18317	4.3
273.25781	14.3
291.19589	6.6
291.26740	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	291.1949
Annotation	Tuberatolide A
Peak:m/z	Relative Intensity
53.03926	7.7
54.75207	1.9
55.01879	13.3
55.05508	31.4
57.03416	2.4
57.07047	2.4
65.84315	2.1
67.05177	3.0
67.05502	36.3
69.03410	9.9
69.07063	16.6
70.65481	4.0
71.04960	6.4
74.74229	2.1
75.19052	2.5
75.66127	1.9
79.05489	50.8
81.03378	7.9
81.06601	4.1
81.07052	70.7
83.04983	12.4
83.08611	15.9
85.06483	3.4
91.05478	31.9
93.07034	35.9
95.04961	34.0
95.08593	24.2
97.06497	6.0
97.10152	9.9
103.80962	2.3
105.03403	3.7
105.07024	32.1
107.04948	21.6
107.08587	20.3
109.06500	12.8
109.10137	8.2
111.08072	4.8
115.05373	2.3
117.07021	22.5
119.08569	42.2
121.06492	20.7
121.10115	11.4
123.08070	23.5
125.09601	9.8
128.70790	2.2
129.07008	10.9
131.08563	23.2
133.06447	6.8
133.10112	11.0
135.08044	26.1
135.11667	6.6
137.09621	5.3
143.08569	10.5
145.06538	2.1
145.10133	20.4
147.08034	27.9
147.11623	5.8
149.09631	12.5
153.09097	5.0
155.08600	2.3
157.10094	8.0
159.08046	2.9
159.11639	6.7
161.09589	8.1
161.13249	2.6
163.11171	17.0
165.09068	8.7
171.11647	4.8
175.11105	4.6
177.09079	3.1
177.12657	3.1
185.13205	4.6
189.11223	3.0
189.12735	4.6
193.12236	4.7
219.13844	2.5
223.13319	7.9
234.98315	2.3
243.45653	2.4
245.19002	3.2
249.14825	6.5
255.17430	7.9
273.15536	2.6
273.18469	38.0
291.08432	2.3
291.19501	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.195
Annotation	8-hydroxy-13Z-octadecene-9,11-diynoic acid
Peak:m/z	Relative Intensity
50.36272	1.7
53.03936	3.3
55.01865	12.6
55.05503	19.4
57.03429	22.6
57.07053	2.1
58.45349	1.9
65.03948	1.9
67.05495	34.9
67.78764	1.6
68.22167	1.7
69.03421	3.0
69.07057	9.8
70.71937	5.4
71.04974	2.6
79.05482	35.4
81.03389	1.9
81.07043	29.7
83.04957	4.8
83.08591	6.4
85.06544	9.4
91.05470	35.2
93.07021	29.0
95.04956	21.8
95.08595	14.0
97.06493	3.6
98.20811	2.4
105.07014	28.6
107.04948	8.7
107.08572	23.5
109.06502	100.0
109.10129	5.7
111.08061	13.5
113.05972	3.9
115.05453	3.4
116.06245	2.0
117.07004	17.6
119.04871	2.1
119.08553	14.8
121.06491	7.5
121.10133	9.0
123.08054	15.0
129.07019	9.1
130.07777	2.0
131.08533	22.6
133.06509	4.8
133.10132	10.6
135.08031	50.5
135.11679	4.8
137.09543	2.7
141.06950	1.8
143.08549	9.0
145.10121	18.2
147.08022	11.2
147.11655	3.6
149.09630	9.9
149.13216	2.4
151.07535	22.1
155.08531	3.5
157.10144	9.2
159.08044	3.3
159.11688	6.7
161.09636	10.9
161.13254	2.0
163.11191	8.5
171.11697	6.6
173.09605	2.1
175.11171	7.1
183.11601	2.1
185.13220	3.7
189.12729	7.1
197.11758	2.8
199.14732	4.8
201.12762	2.6
207.13774	15.8
217.15820	19.1
237.16341	3.5
245.19151	2.2
249.14653	2.0
255.17459	6.6
263.19882	2.1
273.18506	40.9
291.19501	74.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1953
Annotation	Tuberatolide A
Peak:m/z	Relative Intensity
53.01033	1.9
53.03931	4.9
55.01863	8.8
55.05513	13.0
57.03415	3.7
57.07055	2.0
58.81074	1.9
59.51094	1.9
62.75953	1.6
67.05499	23.3
69.03429	13.6
69.07053	7.3
70.34320	1.9
70.95045	3.7
70.95392	2.5
71.04978	3.7
79.05486	23.0
81.03411	9.1
81.07044	24.0
83.04980	19.2
83.08592	5.1
85.06525	3.2
86.58732	1.6
91.05469	29.6
93.07025	30.2
95.04942	11.8
95.08600	11.4
97.06502	2.3
97.10201	1.9
103.05447	4.0
105.07016	21.3
107.04943	100.0
107.08586	13.8
109.06506	5.6
109.10143	11.8
112.33146	2.1
117.07021	7.8
119.08565	10.7
121.06487	35.4
121.07285	3.4
121.10123	5.3
123.08025	3.8
128.06210	2.2
129.06982	7.8
131.08563	15.0
133.06474	5.6
133.10101	14.0
135.08043	59.6
135.11671	4.4
137.09579	4.0
143.08557	5.2
145.10121	10.7
147.08038	5.8
147.11690	6.0
149.09616	16.1
151.11119	4.1
157.10123	3.9
159.08025	2.3
159.11659	4.3
161.09605	5.9
161.13268	6.7
163.07555	5.4
163.11269	2.4
175.11192	3.5
185.13211	3.1
189.12650	2.8
227.17838	2.6
245.19099	6.5
245.94154	2.0
249.14885	6.7
273.18451	20.7
291.08679	3.1
291.19528	62.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1951
Annotation	8-hydroxy-13Z-octadecene-9,11-diynoic acid
Peak:m/z	Relative Intensity
53.03932	7.9
55.01868	16.2
55.05505	33.2
56.05784	3.4
57.40825	3.4
67.05503	32.4
69.03445	6.2
69.07053	10.2
69.22915	45.3
70.47961	3.2
79.05489	59.8
81.03412	7.1
81.07050	60.6
83.04967	4.5
83.08606	14.6
91.05467	36.9
93.07035	40.4
95.04951	23.5
95.08605	17.2
97.06548	4.3
97.10176	12.1
98.20771	6.3
105.03349	7.2
105.07029	22.0
107.04958	15.9
107.08600	16.7
109.06512	8.6
109.10117	5.8
117.07018	30.0
119.08571	47.8
120.05716	4.3
121.06502	24.5
121.10109	6.6
123.08055	7.1
125.09640	16.3
129.07013	9.8
130.07779	4.7
131.08575	11.7
133.06456	7.9
133.10152	7.3
135.08025	11.7
135.11757	4.5
143.08594	8.7
145.10112	30.3
147.08037	25.7
149.09637	9.5
157.10121	8.8
159.11681	6.6
161.09631	15.6
163.11218	9.2
169.10017	4.1
171.11707	4.7
189.11177	10.5
189.53052	3.8
191.31999	3.8
203.47787	3.9
210.16217	4.2
223.13316	8.1
227.17989	5.3
231.17278	4.1
245.18849	6.0
249.14838	13.7
255.17410	7.6
273.18414	47.8
291.19534	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.195
Annotation	Tuberatolide A
Peak:m/z	Relative Intensity
53.03925	7.0
55.01866	17.7
55.05504	27.7
57.03418	7.0
57.07061	2.8
65.03938	1.6
67.05498	39.1
69.03413	4.9
69.07062	21.0
70.06604	8.4
70.92445	4.0
71.04977	4.8
71.06898	2.5
79.05013	2.2
79.05482	56.2
81.03398	9.3
81.07044	73.2
83.04959	6.5
83.08601	11.1
85.06554	2.1
88.07609	7.6
89.07949	3.8
91.05459	34.1
93.07030	31.7
95.04945	33.6
95.08591	20.4
97.06508	7.9
97.10141	13.2
99.08114	1.9
102.09151	3.5
103.05509	1.5
105.03356	2.1
105.04460	1.6
105.07015	29.9
107.04947	14.8
107.08580	21.7
108.05795	1.5
109.06512	10.6
109.10139	10.4
111.04401	3.8
111.08054	3.2
115.05424	3.5
116.06229	2.8
117.06998	25.6
119.08562	35.1
121.06487	16.2
121.10110	10.0
123.08056	23.2
125.09588	10.3
128.06238	3.3
129.06985	9.1
129.12465	1.5
130.07758	3.2
131.08554	17.0
132.91902	1.5
133.06499	7.5
133.10130	6.9
135.08049	10.2
135.11661	5.9
137.09581	7.1
139.11116	2.2
142.07744	2.3
143.08560	9.3
145.10091	16.7
147.08015	21.9
147.11644	4.3
149.09579	10.5
153.09096	6.9
157.10120	8.0
159.08014	2.9
159.11697	8.7
161.09602	10.2
163.11163	14.3
165.09061	6.4
167.08646	1.8
169.10130	2.0
171.11700	4.6
173.09581	2.1
173.13148	1.8
175.11139	5.9
177.12727	1.5
185.13266	2.8
187.11137	2.7
189.11197	5.7
189.12738	2.4
193.12216	2.7
195.11867	1.6
199.11005	1.9
213.12791	2.9
221.11697	2.0
223.13206	6.6
227.17955	2.0
228.23276	4.1
229.23547	20.0
231.13911	2.0
245.19098	4.4
249.14824	9.6
255.17401	7.3
273.18448	36.8
273.26300	2.0
291.19510	100.0
291.27164	49.2
291.30469	2.8
302.09052	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1732
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	0.6
55.05503	0.3
56.05034	0.5
58.06593	0.6
59.21266	0.4
59.48055	0.3
60.08144	0.8
61.01144	16.8
67.05489	0.5
69.03423	0.9
69.07069	0.9
70.06578	2.6
71.05006	0.4
71.52381	0.5
72.08157	0.5
76.98328	0.3
79.67989	0.3
81.03394	0.3
81.07069	0.8
82.81500	0.3
84.04504	1.3
84.08136	84.6
85.02901	1.1
85.06580	0.3
85.08475	0.7
86.09698	1.7
91.05475	0.6
93.07047	0.5
95.04964	0.5
97.02910	0.5
105.03390	0.6
105.06976	0.4
107.04926	0.5
107.08562	0.4
109.02863	0.3
110.07147	0.3
113.95206	0.3
117.07031	0.4
120.08126	0.4
129.07019	0.4
129.10242	0.5
131.08569	0.4
132.08414	100.0
133.08762	1.0
135.08051	0.4
136.07594	0.5
138.00589	0.3
139.03816	0.4
143.08411	0.4
145.10201	0.4
146.06027	0.5
149.05978	0.5
157.07605	1.0
158.05986	0.5
160.05203	0.4
175.07489	0.4
178.06235	0.5
185.05821	0.4
186.05472	0.5
198.11290	1.3
199.12318	1.8
205.04883	0.3
215.13922	1.2
226.11035	0.5
227.11780	1.0
229.13409	0.3
243.17065	0.7
245.07982	0.8
245.12892	0.9
246.11488	0.4
255.11276	0.8
273.07779	0.6
273.12332	11.1
291.08737	1.1
291.13342	8.0
291.17297	15.8
303.58481	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.0194
Annotation	Unknow
Peak:m/z	Relative Intensity
51.09943	1.3
56.96557	23.9
58.99859	3.9
69.03419	2.5
69.22959	6.5
69.23389	8.4
70.06577	1.9
77.00885	2.6
78.41741	1.6
84.96020	11.1
85.01393	16.7
85.02892	3.0
86.65941	1.3
94.99842	2.7
98.97562	8.1
100.99116	1.6
101.00867	1.9
102.96997	2.3
103.02433	100.0
110.01290	1.6
110.97592	1.4
113.00857	10.2
115.00633	1.6
116.98595	4.0
119.01907	6.8
121.03468	73.9
122.03544	1.9
124.99125	4.0
126.04082	1.6
128.98604	2.7
129.00320	4.6
129.03975	15.9
131.01889	75.6
133.01704	2.1
133.03473	3.6
134.99597	4.5
139.02516	2.1
143.00130	13.0
144.05016	1.7
145.03444	4.1
146.99629	2.4
147.01373	40.0
147.05011	30.2
149.02931	29.4
154.03470	1.5
155.01855	6.1
157.03444	51.3
158.03729	1.7
159.05013	1.7
161.01212	20.3
161.02901	5.1
162.99126	4.4
165.02426	4.7
167.01903	1.9
170.02968	1.6
171.01357	2.4
173.02950	57.6
174.03125	2.0
175.00851	5.0
175.04515	31.6
177.00641	2.7
179.02260	5.0
180.05219	2.2
183.01366	7.2
185.02916	14.9
186.99149	3.3
189.02400	4.0
191.04013	5.4
191.54103	1.8
193.00317	2.2
193.01910	11.1
199.00867	3.2
200.54689	2.9
201.02414	31.8
202.02719	1.8
203.03966	8.1
205.00189	5.1
208.99510	2.2
211.00893	5.6
213.06241	1.8
219.03476	28.3
223.01239	8.1
227.00343	7.5
229.01920	60.9
230.02156	2.2
245.01421	4.1
247.02965	8.0
248.99069	2.3
254.99776	7.7
267.00269	4.6
273.00885	27.4
291.01962	18.3
291.05209	3.0
291.10413	7.8
291.13162	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.0839
Annotation	Unknow
Peak:m/z	Relative Intensity
54.18308	1.7
55.05520	2.1
56.96561	100.0
58.91818	1.7
60.04506	2.0
61.02915	1.8
67.05486	1.5
69.03405	4.2
69.07071	2.1
70.06583	5.0
71.10587	3.5
71.95246	3.8
72.08140	2.8
73.02901	2.7
74.97606	4.1
75.50005	1.6
81.03411	2.2
81.07072	3.0
83.04974	1.5
84.04491	1.6
84.08131	5.4
84.96025	28.7
85.02890	6.5
86.09708	4.4
87.04424	1.9
97.02889	5.9
98.97575	97.4
102.97042	5.8
103.02430	4.1
105.07087	1.6
107.08617	1.7
110.97570	7.6
112.99139	1.8
115.00706	4.1
116.98615	85.3
119.00150	3.9
119.01910	6.3
119.04945	1.6
119.08555	1.6
120.98054	2.4
121.01674	2.4
121.03466	1.6
124.99123	8.2
126.97031	2.2
127.03854	2.4
128.98599	12.5
129.10202	3.6
131.00156	2.3
131.01897	4.5
133.01721	5.3
134.99644	53.6
135.00673	3.8
137.01210	2.2
137.02946	2.0
137.05945	1.7
140.00182	4.1
143.00156	31.6
143.01898	2.9
144.98082	4.9
145.01720	1.6
145.03436	3.5
146.99638	12.5
147.01408	3.5
147.03247	4.3
149.01176	2.5
149.03018	1.8
153.00702	9.9
157.03476	2.2
158.01280	2.7
158.99638	30.2
161.01215	79.0
161.02867	5.7
161.04732	1.9
162.01318	1.7
162.99170	15.4
163.02788	3.0
163.04408	1.8
165.00716	3.4
165.04274	2.3
168.97882	2.4
170.99683	3.9
171.03317	2.2
173.02992	3.1
177.00703	55.0
177.02188	4.0
177.04181	2.7
179.02266	20.3
181.00195	4.5
184.02808	5.5
186.99194	5.3
189.00729	5.5
189.02550	3.6
189.04323	12.2
190.95248	2.4
193.00139	3.4
193.01689	2.0
195.01691	8.5
200.02348	3.6
201.00650	3.0
201.04262	4.0
201.37102	1.8
205.00151	17.7
207.05440	3.6
208.99747	2.2
219.01791	8.5
223.01213	32.0
230.60710	1.7
231.03505	4.2
237.02812	27.9
241.02364	4.5
248.99272	9.2
249.02666	2.2
250.97446	2.0
255.03873	2.5
267.00238	16.0
273.02676	2.2
291.00400	2.0
291.04453	2.8
291.08151	20.2
309.08536	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	291.0195
Annotation	Unknow
Peak:m/z	Relative Intensity
52.26541	1.0
55.01855	1.3
56.96563	17.2
58.99863	4.1
66.30151	1.2
69.03424	1.9
71.52045	1.4
73.02885	1.2
77.00874	2.3
79.84007	1.0
84.96016	7.8
85.01402	12.8
85.02891	2.3
89.40562	1.0
93.07047	1.0
94.99860	1.8
97.02893	1.4
98.97572	4.1
101.00849	1.8
102.97031	2.1
103.02435	100.0
104.02514	2.2
113.00832	9.0
115.00684	1.7
116.98601	6.1
117.03963	1.5
117.43871	1.1
119.01891	6.4
121.03471	85.3
122.03539	2.2
124.99109	3.1
126.03904	1.4
126.17208	1.1
128.98633	1.1
129.00331	4.4
129.03966	19.3
131.01894	68.5
132.01990	2.0
133.01715	1.5
133.03432	4.3
134.99646	4.6
137.02911	2.8
139.02435	2.8
143.00151	10.9
143.01860	2.9
144.05078	2.2
144.98102	1.5
145.03461	3.3
146.99603	2.0
147.01378	42.8
147.05009	32.7
149.02940	29.4
150.03117	1.8
151.02675	1.3
154.03482	2.6
155.01891	4.7
157.03452	67.1
158.03566	1.8
158.99614	1.9
159.05095	2.4
161.01210	18.4
161.02895	4.1
162.99136	3.4
165.02399	5.4
167.01872	3.0
170.03018	1.3
171.01436	1.9
173.02945	75.4
174.03053	1.4
175.00900	6.0
175.04512	39.2
177.00642	2.4
179.02228	6.6
180.05049	2.1
183.01418	8.9
185.02907	15.6
186.99089	1.5
187.04863	1.1
189.02426	2.6
191.04015	5.6
193.00177	2.5
193.01888	17.8
196.04649	1.8
198.02475	1.3
198.06158	1.4
199.00833	2.5
201.02438	40.7
202.02538	1.2
203.04042	9.9
205.00192	4.2
208.99496	1.6
211.00897	5.6
212.60637	1.3
219.03502	35.7
221.04944	1.6
223.01215	9.1
224.03958	1.7
227.00291	10.4
229.01921	75.4
230.02098	3.8
241.02156	1.7
245.01340	6.2
247.03008	11.8
248.98991	1.5
254.99850	4.6
267.00302	3.3
273.00888	39.7
274.01199	1.2
291.01987	27.0
291.10406	2.4
299.09741	2.0
309.03003	2.1
314.03250	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	290.1231
Annotation	Unknow
Peak:m/z	Relative Intensity
51.94088	0.6
55.05511	0.8
57.03435	1.2
57.07058	2.7
67.05497	7.7
70.06585	4.8
70.63393	0.8
70.63750	2.0
71.04977	1.1
72.08130	1.0
73.04033	0.7
74.06071	6.7
79.05467	0.9
84.04492	3.2
84.08130	2.8
85.02902	1.9
85.06538	32.8
86.06847	0.8
86.09692	1.5
87.00821	3.0
87.11148	0.6
91.05460	0.9
93.07047	0.7
94.54485	0.6
95.04931	1.0
97.02841	0.7
98.09687	26.3
98.97565	1.1
108.08067	0.8
110.06051	0.8
110.07178	0.9
116.10719	58.2
120.08071	1.2
124.07569	1.2
125.64334	0.8
126.09149	13.2
130.06519	0.7
134.99698	0.7
138.09222	1.2
140.10725	0.9
144.10199	2.8
158.11752	100.0
159.12056	1.7
162.11249	6.7
182.11789	0.8
186.11230	1.9
204.12300	36.0
212.02882	0.7
229.42331	0.7
232.23602	0.7
248.11339	4.6
248.98495	1.0
272.11304	2.8
290.12405	8.6
290.15588	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	290.1748
Annotation	Mesembrine
Peak:m/z	Relative Intensity
55.01860	0.4
55.05498	0.9
55.12439	0.4
56.05040	2.1
56.96567	0.9
57.07058	1.7
58.06583	1.4
64.33999	0.4
65.03933	1.9
66.33009	0.4
67.05499	7.5
69.07070	3.6
70.87547	1.1
71.08601	0.4
74.06062	1.6
77.54153	0.4
79.05479	1.9
81.07047	1.0
82.06561	2.6
83.04961	0.5
83.08586	0.6
88.07631	7.8
91.05464	0.6
93.03385	1.6
93.07053	3.3
95.08596	0.9
97.06517	2.3
107.08578	3.0
109.10120	0.5
110.06030	28.2
111.04430	10.6
117.07011	0.7
118.08633	1.5
122.08156	1.4
123.04436	2.5
135.11678	3.3
137.05954	0.7
138.05486	100.0
139.05879	0.9
145.06552	0.8
153.12750	0.6
163.07535	2.4
175.07516	0.5
199.25784	0.4
226.11089	1.5
242.24767	7.9
244.12209	1.5
245.27856	0.4
251.69073	0.5
254.89233	0.4
273.14896	0.9
290.17584	5.4
290.26849	20.2
290.29486	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.0023
Annotation	Unknow
Peak:m/z	Relative Intensity
53.84855	0.7
54.98634	0.6
56.96559	87.1
57.03428	1.1
68.62457	0.6
69.03414	2.0
69.66425	3.8
70.06575	1.1
70.98132	0.7
71.95260	2.9
72.96036	1.1
73.02900	0.8
74.97603	6.0
81.03401	0.6
82.99841	1.1
84.08144	1.7
84.96027	40.3
85.02883	2.6
86.09724	0.7
97.02885	3.1
98.97576	26.2
100.99118	3.4
101.00871	6.6
102.97063	7.1
103.00574	0.8
103.02412	1.3
103.41919	0.7
107.71603	0.5
110.07145	1.1
110.97572	1.4
112.99110	1.2
113.00854	0.9
115.00681	8.0
115.02365	0.8
116.98611	25.1
116.99456	1.4
118.01060	0.7
119.00145	1.6
119.01907	22.5
120.98100	1.4
121.01662	3.9
124.99104	21.8
126.97023	1.7
127.00809	0.9
127.03890	0.6
128.98578	1.6
129.03947	0.7
131.00200	1.6
131.01892	11.4
133.01721	8.0
133.03392	2.5
134.99643	15.1
135.03139	1.3
137.02901	4.5
139.02643	0.8
140.98543	2.2
141.00369	0.7
143.00146	59.9
143.01785	7.4
144.98074	7.2
145.01686	0.9
145.03462	3.4
146.99590	1.2
147.05009	4.1
149.01140	0.9
149.02927	3.1
151.02695	0.8
153.00645	3.0
155.01939	4.4
157.03500	3.2
158.99646	7.7
161.01167	100.0
161.02887	26.7
162.02950	0.7
162.97816	1.2
162.99133	16.6
163.02676	2.0
165.00696	0.7
165.06023	1.4
166.01686	1.2
167.01987	1.2
168.98082	3.0
169.04393	1.0
170.99576	1.5
171.05000	1.5
173.01308	1.3
173.02959	9.6
175.02824	0.8
175.04445	1.8
177.00693	14.4
177.04041	0.8
178.04912	5.7
179.00743	1.0
179.02280	19.5
179.03786	1.0
181.00162	5.6
184.02710	2.4
184.04411	1.0
185.02943	4.8
185.06599	1.0
186.99133	8.4
187.04466	1.5
188.97052	1.0
189.00612	1.6
189.04330	1.3
189.06047	4.5
190.95457	0.9
191.02295	1.4
191.03926	3.2
193.03767	1.0
195.01666	2.5
197.02876	1.5
201.04269	0.9
201.06052	5.5
202.03799	0.9
203.02309	0.8
203.04008	4.4
203.07643	1.3
204.03905	0.9
205.00183	23.0
206.98001	1.1
211.00858	0.7
213.04205	0.9
219.01736	1.8
219.07054	2.0
221.04967	2.5
223.01225	45.8
225.05890	1.3
228.01857	1.0
230.98175	1.4
231.07022	0.9
237.02708	1.1
241.02263	5.7
245.04942	1.2
246.02710	1.4
248.99170	13.4
249.01964	0.9
249.02565	0.7
260.96643	0.7
267.00204	25.2
285.01105	2.1
290.01929	1.0
291.04129	1.1
291.09180	25.8
305.68887	0.7
309.04681	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.2524
Annotation	all-trans-13,14-Dihydroretinol
Peak:m/z	Relative Intensity
53.03919	2.5
54.39665	1.5
55.05504	19.6
57.03423	2.4
57.07076	9.1
60.51823	1.5
65.03938	2.8
65.17795	1.4
67.05499	30.4
69.03394	3.3
69.07061	45.4
71.04988	2.8
71.08613	4.3
76.60000	1.6
79.05482	21.2
81.03403	4.4
81.07050	100.0
83.04988	2.5
83.08624	12.5
84.04485	9.6
85.02908	3.4
85.06541	3.5
91.05468	22.7
93.07037	61.9
95.04956	37.4
95.08601	63.4
97.06509	7.3
97.10152	7.0
103.03962	2.7
105.07019	36.6
107.04972	1.9
107.08595	45.4
109.06520	11.5
109.10148	40.3
110.07262	1.5
111.08084	5.3
111.11706	5.9
113.05911	1.4
113.08112	1.6
116.98643	1.6
117.07000	5.2
119.08570	24.8
120.08878	1.7
121.06496	5.4
121.10136	31.1
123.08035	4.0
123.11695	32.9
125.09616	2.9
126.05493	3.1
127.03886	3.8
129.07016	2.9
131.08557	10.5
131.09399	1.6
133.10110	25.7
135.08058	5.4
135.11670	19.7
137.09621	4.5
137.13216	13.0
139.11171	2.4
143.08551	2.8
145.10120	14.2
147.11664	14.1
148.38951	1.7
149.09572	2.4
149.13255	17.4
151.11174	8.0
151.14848	2.4
153.01768	2.0
153.12778	2.5
159.08057	2.2
159.11713	15.7
161.13231	14.1
163.11163	5.4
163.14857	10.1
165.12733	6.7
169.01355	2.3
169.10060	1.7
171.11642	2.5
173.09575	1.6
173.13255	9.7
175.14813	10.1
177.12767	2.9
177.16374	6.8
179.14267	1.9
183.11674	3.8
187.14809	4.8
189.16370	5.7
191.17896	2.4
201.12556	1.6
201.16325	7.5
203.17958	3.8
205.15831	2.5
207.17415	2.4
215.17947	9.6
217.19441	2.1
229.12312	2.5
231.21040	2.8
233.19061	3.8
245.22723	5.0
258.74081	1.8
271.13910	2.4
271.24185	18.4
286.19180	2.0
289.18109	3.8
289.25241	76.0
290.25781	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.1641
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	6.0
55.05507	9.0
67.05504	15.9
69.07053	15.8
70.73370	17.7
71.04987	10.1
79.05489	18.1
81.07046	43.7
83.04979	17.0
85.06543	12.8
91.05497	13.4
93.07037	58.5
95.04958	20.2
95.08603	40.0
97.06527	31.4
99.04433	26.5
105.07024	36.4
107.08590	26.6
109.06535	32.4
111.08070	22.8
117.92530	4.9
119.08578	17.4
121.06485	68.4
123.11712	10.8
125.06008	12.7
126.97905	4.5
127.07600	6.3
133.10135	20.8
135.08118	5.7
139.07558	22.6
143.08609	5.2
147.11661	46.0
157.08685	9.4
157.10046	12.4
159.06578	14.6
161.09689	5.3
161.13266	9.2
165.12665	10.7
169.12224	19.4
171.11667	9.4
175.11150	29.6
189.12755	17.2
193.12186	28.5
199.11215	20.1
207.13809	15.7
211.13248	28.9
217.12204	100.0
218.12482	6.7
229.14372	16.0
235.13260	68.1
253.14365	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	289.1642
Annotation	Unknow
Peak:m/z	Relative Intensity
52.08384	2.3
53.03936	3.6
55.01867	4.1
55.05497	10.7
67.05488	20.5
67.91544	2.4
69.03418	6.7
69.07061	26.2
69.77261	2.3
70.29163	2.3
70.29500	11.0
71.04986	8.8
79.05483	28.6
81.03407	4.1
81.06588	4.6
81.07047	72.6
83.04984	20.3
83.08594	9.0
84.04498	5.2
85.06528	10.6
91.05465	24.2
92.63899	2.3
93.07035	64.8
95.04965	18.6
95.08591	38.2
97.06524	37.4
99.04451	19.0
101.06027	3.1
105.07014	45.0
107.04977	4.1
107.08582	37.9
109.06512	32.3
109.10168	14.6
111.08066	22.4
113.06019	4.6
115.07533	3.0
117.07022	5.1
119.08579	28.9
119.40161	2.5
121.06494	89.9
121.07371	4.3
121.10116	9.1
123.08060	5.5
123.11702	16.2
125.05965	10.3
127.03893	6.4
127.07549	10.3
129.06985	5.5
131.08549	10.0
133.06451	3.9
133.10130	19.5
135.04446	5.3
135.08009	7.8
135.11678	7.7
137.06015	3.5
137.09647	3.7
139.07530	25.0
141.05464	2.8
141.07051	2.5
142.07770	5.6
143.07062	6.9
143.08542	9.7
145.10121	5.7
147.08073	5.0
147.11656	49.4
149.09601	2.8
149.13272	7.0
151.11180	7.8
153.09048	3.4
157.08765	16.6
157.09993	15.9
159.06538	4.6
159.11639	3.1
161.05997	2.5
161.13269	18.1
163.11096	4.2
163.14819	4.1
165.12723	23.8
169.12219	13.1
171.11713	13.4
173.09610	4.0
175.11166	29.3
175.14844	2.8
175.99896	2.8
181.10129	7.2
189.12752	25.3
193.12247	37.6
199.11182	34.1
207.13811	23.1
211.13261	31.0
217.12210	100.0
218.12604	3.3
229.14233	6.4
235.13249	78.9
253.14322	42.9
271.10867	3.1
278.69592	2.7
289.06271	8.1
289.18127	3.6
289.25165	10.2
292.67249	2.7
296.17554	2.6
306.24670	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	289.0704
Annotation	Eriodictyol
Peak:m/z	Relative Intensity
55.01860	0.6
55.05499	1.5
65.03928	0.6
67.01865	2.5
67.05486	1.7
68.99776	3.1
69.03416	1.5
69.07063	3.4
70.46909	0.3
70.58389	1.3
70.58759	0.5
70.78397	0.4
79.05478	2.6
80.85573	0.4
81.03419	0.8
81.07042	5.1
83.01327	0.4
83.08602	0.7
84.04494	0.4
85.65508	0.4
89.03912	5.4
90.68816	0.4
91.05472	1.4
93.03388	0.9
93.07034	4.7
95.04966	3.8
95.08604	3.6
97.02874	1.6
97.10156	0.5
105.07028	2.2
107.04948	2.3
107.08578	3.3
109.06476	0.9
109.10139	1.7
111.00797	3.0
111.04401	2.7
111.08067	0.5
111.11729	0.5
117.03362	8.4
119.04965	0.5
119.08550	2.2
121.10141	2.0
123.04417	5.1
123.11696	2.1
127.03895	1.0
131.04907	0.6
131.08522	1.1
133.06496	0.7
133.10103	1.5
135.04404	17.1
135.08002	0.5
135.11656	1.4
137.05989	0.6
137.13185	0.5
139.03825	2.0
140.58907	0.4
143.08524	0.7
145.02824	10.2
145.06471	0.5
145.10118	1.7
147.11621	1.0
149.13219	1.2
151.03908	1.2
151.11151	0.5
152.76845	0.5
153.01810	100.0
154.02151	0.9
157.10139	0.7
159.04395	1.1
159.11711	1.0
161.06027	0.8
161.13197	0.5
163.03885	63.3
163.11288	0.4
163.14767	0.4
165.12759	0.4
171.02870	5.3
171.11537	0.4
173.13263	0.8
175.14819	0.7
179.03377	6.3
183.11731	0.7
187.03870	2.5
187.14781	0.5
201.05496	0.8
205.04962	1.1
215.17903	0.7
229.12202	0.8
247.06009	1.2
253.04910	0.6
256.49597	0.4
271.06036	2.7
271.14490	0.8
271.24240	1.1
289.07031	77.7
289.25125	4.8
290.07397	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.1387
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	1.1
60.84309	0.6
65.03934	0.7
67.05488	2.5
68.99793	2.4
69.03410	0.9
69.07062	69.6
69.17273	2.2
69.17694	3.7
70.06589	1.3
70.07433	0.5
72.08148	0.9
79.05483	2.0
81.07068	0.6
83.04962	0.6
84.04489	0.5
84.08134	1.8
86.09714	1.5
91.05483	0.9
93.07064	0.5
94.06549	3.6
95.04961	1.4
95.08612	0.7
97.06535	1.1
98.06038	0.5
98.20728	1.1
105.03384	3.1
105.07022	0.8
106.79705	0.5
107.04958	1.9
109.02879	1.0
110.05996	0.6
111.00806	1.4
111.04442	0.6
112.07581	2.4
112.87450	0.5
114.09174	0.8
118.06554	1.8
119.08594	0.8
120.08094	2.1
121.02848	7.7
121.10147	0.7
122.06013	5.4
124.07608	0.7
129.07008	1.1
133.02832	1.0
137.02321	2.3
140.07050	94.1
141.07314	0.6
145.06467	1.0
146.06010	3.4
147.04402	1.7
147.06877	0.6
148.07552	34.7
149.07863	0.5
153.01808	13.5
157.06480	1.4
164.07094	0.6
165.01819	3.1
166.44243	0.6
169.66400	0.6
170.09766	0.7
171.04420	0.8
174.05486	2.7
176.74542	0.5
183.02878	1.7
185.05891	0.5
186.09079	0.7
199.09857	0.6
213.05402	3.2
214.12250	1.2
217.05066	0.6
226.12277	1.1
229.04930	0.7
231.06519	1.5
239.05510	0.5
241.04924	1.7
242.11748	6.0
243.14844	3.2
258.05136	1.6
259.05859	0.7
269.04337	0.5
269.12744	3.0
270.11203	5.0
272.43515	0.6
287.05472	100.0
287.13831	10.2
288.05804	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	287.1387
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	1.0
55.01857	1.0
55.05503	1.1
65.03924	1.4
67.05495	8.4
68.05027	3.6
68.99773	0.8
69.03410	1.0
69.07060	15.4
70.06586	1.2
71.19268	0.6
71.19618	0.8
72.08148	0.7
79.05489	2.7
80.05008	3.0
84.08128	1.8
86.09690	1.3
91.05460	1.3
93.05766	1.1
93.07035	1.3
94.06558	43.5
95.04960	5.8
96.04470	1.2
97.06507	2.1
104.04985	1.0
105.03354	1.3
107.04959	0.7
110.06046	1.4
110.07159	0.5
111.00831	0.6
112.04000	0.6
112.07602	4.8
113.45757	0.5
118.06538	1.2
119.07317	1.1
120.08091	6.0
121.02861	2.8
122.06017	81.2
122.34589	0.5
123.04433	3.6
123.06364	1.0
129.10156	0.5
137.02374	1.0
140.07050	100.0
141.07362	0.9
144.06621	0.5
146.05983	1.5
147.04419	0.8
147.06744	0.8
148.07555	97.0
149.07889	1.6
153.01811	5.0
165.01805	1.5
178.93111	0.5
183.02901	1.0
207.59706	0.4
213.05428	1.3
231.06494	0.7
241.04892	0.6
241.13350	0.6
242.11902	1.1
258.05386	0.7
259.06140	0.5
269.12845	3.1
270.11267	0.6
287.05475	40.0
287.10410	1.2
287.13873	6.4
288.05881	2.6
304.42392	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.1387
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	2.5
55.01859	1.0
56.96557	1.5
57.03423	1.1
63.78474	0.7
65.03943	0.6
67.05500	7.5
68.05035	3.4
69.03422	2.0
69.07061	15.7
70.06590	1.3
71.04982	0.9
71.51546	0.8
71.51896	1.1
73.02928	0.7
77.76820	0.7
79.05493	2.2
80.05013	2.4
81.03407	0.7
84.08150	1.6
85.02868	1.4
91.05447	1.1
93.05759	1.3
93.07082	0.8
94.06558	46.7
95.04971	6.8
95.06870	1.0
96.04480	1.4
97.02896	1.8
97.06516	1.9
98.06049	0.6
98.97575	2.8
104.04926	0.7
105.03374	8.8
105.04475	0.9
110.06023	1.0
110.97511	0.7
112.07590	6.6
116.98624	0.8
118.06538	4.6
119.07306	2.0
120.08106	6.2
121.02861	2.9
122.06017	75.9
123.04430	2.5
131.00153	1.5
140.07050	99.4
146.06007	2.4
148.07556	100.0
149.07899	1.4
153.01808	4.6
165.01775	1.1
171.04311	0.7
197.01128	0.9
199.10001	0.8
208.04961	1.4
213.05534	0.7
214.12399	0.9
215.02104	0.7
215.03934	1.1
241.04880	0.8
242.11687	2.6
243.14989	1.6
243.92691	0.7
245.08836	0.8
269.12704	1.3
270.11237	2.8
287.05542	33.6
287.10526	1.2
287.13766	7.7
287.56195	0.7
288.05875	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.1388
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.9
55.01859	1.1
55.05502	2.4
56.05016	0.7
56.96545	0.6
57.03423	0.5
57.35274	0.5
60.04504	0.7
65.03934	1.1
67.05498	3.7
68.99774	3.0
69.03409	1.4
69.07063	30.8
70.06573	2.2
70.70926	0.6
70.71278	1.5
71.04993	0.5
72.08160	0.8
74.06078	0.5
79.05488	3.2
81.03406	1.5
81.07044	6.0
83.04959	1.1
83.08625	1.0
84.08126	2.2
85.02894	0.6
85.06537	1.4
86.09698	2.1
91.05463	3.6
93.07049	2.5
94.06558	4.7
95.04953	2.0
95.08579	2.4
97.02888	0.7
97.06517	1.3
97.10101	0.5
98.98458	1.1
99.08064	2.0
103.68051	0.6
105.03389	1.2
105.07025	2.5
106.06550	0.9
107.04927	0.8
107.08587	1.9
109.02854	1.4
109.10122	0.9
110.07125	0.6
111.00838	1.0
111.04406	0.7
112.07596	0.5
115.05474	0.8
116.98608	0.6
117.06990	1.7
118.06525	6.4
119.07314	1.6
119.08559	2.2
120.08095	3.6
121.02852	7.5
121.10144	1.0
122.06020	6.9
123.00827	0.5
123.04386	1.1
123.11668	0.9
124.07594	3.4
129.07056	1.0
129.10225	1.1
131.07376	0.5
131.08559	2.0
132.04362	0.8
132.08044	0.8
133.02844	0.8
133.08904	0.7
133.10118	1.7
134.06009	0.7
135.08022	1.1
135.11682	1.0
136.07597	1.2
137.02338	2.1
140.07053	45.2
141.06982	1.2
143.07202	0.6
143.08478	1.0
144.08060	1.0
145.06427	0.8
145.10130	1.3
146.05995	5.6
147.04393	1.7
147.06767	2.0
147.07915	0.6
147.11621	1.2
148.07565	17.6
149.02316	0.7
149.13307	0.9
153.01810	10.3
155.08511	0.7
157.06468	1.3
157.51765	0.5
158.09601	1.6
159.11696	0.9
161.03011	0.6
164.07074	3.6
165.01854	3.1
165.03052	0.6
165.09103	0.6
170.09590	0.8
171.10405	0.8
173.13167	0.6
174.05487	2.0
174.09087	0.8
181.08939	0.9
183.02890	1.9
184.11266	0.6
185.06006	1.3
186.09169	1.4
188.10648	1.2
189.11446	1.8
196.11195	1.3
198.09227	0.8
198.12875	0.6
199.03893	0.7
199.09909	2.1
200.10707	0.8
203.07184	0.7
206.09622	1.0
212.09422	1.8
213.05466	2.7
213.10217	1.5
214.08678	0.6
214.12209	3.7
215.17964	0.6
223.12282	0.9
224.10738	1.6
225.10280	0.6
226.12257	1.9
227.11757	1.3
231.06525	2.1
241.04961	1.4
241.13322	2.0
242.05621	0.5
242.08011	0.6
242.11748	14.7
243.14906	13.1
243.17290	1.0
244.03731	0.8
245.04622	0.6
255.02751	0.6
258.05255	1.4
259.06009	1.4
269.04645	0.6
269.12823	9.0
270.11209	18.8
271.11441	0.9
272.03241	0.7
282.70355	0.5
287.05478	100.0
287.13831	18.4
287.23862	0.6
288.05881	5.9
302.52142	0.5
305.14807	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0912
Annotation	Linderone
Peak:m/z	Relative Intensity
53.03946	0.3
55.01862	0.6
56.02660	0.5
56.58658	0.2
68.99783	1.5
69.07063	0.4
71.01352	0.4
79.05486	1.2
81.07043	0.7
84.02111	1.0
91.05486	1.2
93.07038	0.3
95.04993	0.4
95.08608	0.6
98.21492	0.7
99.00803	3.3
103.05460	8.2
105.03378	0.5
105.07016	0.6
107.04923	0.8
107.08559	0.4
109.10105	0.5
112.01583	4.3
119.08538	0.4
127.00272	4.2
131.04919	12.1
137.02332	0.6
140.01039	1.5
145.06499	0.3
149.02380	0.5
153.01875	0.5
154.99702	1.2
157.14896	0.2
165.01939	0.3
166.00485	0.3
166.02733	0.2
168.00533	36.3
169.00938	0.4
173.05951	0.9
181.05020	0.6
181.06511	0.3
183.02878	100.0
184.03220	1.0
185.00844	0.3
186.01588	29.8
190.53444	0.3
195.02815	0.3
199.07448	0.3
201.03937	1.9
224.98799	0.3
229.04912	0.3
235.11649	0.3
241.09775	0.5
245.08121	0.9
269.12778	0.7
271.05975	0.5
272.06821	1.0
287.05679	3.6
287.09106	63.8
287.23743	0.7
288.06277	0.3
288.09427	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.1348
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	0.6
54.48753	0.5
55.01871	0.7
55.05505	5.6
56.01427	0.5
56.05013	0.7
56.96304	0.8
56.96559	9.8
57.03416	1.8
60.05624	2.5
61.01125	1.7
61.02917	0.9
67.01861	5.8
69.03421	3.3
69.07058	0.7
70.06577	4.7
70.37302	1.7
70.37721	1.2
71.04967	0.7
72.08141	5.5
73.02897	1.3
73.06511	0.6
77.00894	0.6
79.01842	0.6
81.03400	2.0
83.06129	0.7
84.04488	0.7
84.08136	3.5
84.96000	1.4
85.02892	6.3
86.09682	3.6
90.78089	0.6
92.38384	0.6
95.01330	0.9
95.04896	0.5
97.02863	4.0
97.07629	0.5
98.06055	2.3
98.97577	7.3
99.04459	0.8
101.00862	0.8
102.26402	0.6
105.03378	3.0
107.01753	0.6
107.04922	1.0
109.02879	0.6
110.02411	0.6
110.07156	1.0
110.97521	1.4
111.00800	1.0
112.03934	1.7
112.05065	0.8
113.02329	2.4
114.01898	3.1
114.05518	1.4
116.98599	5.8
119.01897	4.8
119.04945	0.6
121.01625	0.7
124.03968	0.9
124.97574	0.7
126.01908	0.8
126.06596	1.1
127.03873	1.7
128.02283	0.8
128.03409	2.6
128.98592	2.0
129.01782	1.6
129.10201	1.3
130.93269	2.1
131.00230	0.8
131.01889	4.1
132.04414	0.7
134.99632	3.5
136.06064	0.6
136.07549	0.7
137.02924	1.0
138.00757	1.1
138.01849	20.7
139.00241	0.6
140.03421	1.9
140.07066	4.0
145.03375	3.0
146.05916	0.7
146.99622	1.8
149.02916	1.4
150.01855	8.5
156.02882	2.7
157.03471	0.6
158.04471	2.0
158.99654	0.8
159.04997	1.0
161.01212	1.5
161.02895	2.1
162.99022	0.6
163.04462	0.6
164.07024	1.8
165.00784	0.6
166.08609	2.2
168.02942	1.2
168.06548	4.7
169.03349	0.6
170.04826	0.6
171.05031	1.3
172.94281	3.1
173.01378	0.6
173.02892	2.0
173.04832	0.8
174.03998	4.1
174.97621	0.6
174.99162	1.8
175.02553	0.7
175.04399	0.6
175.11823	0.9
177.00812	2.8
177.04117	0.6
179.00708	1.6
182.03497	0.6
182.08072	4.6
185.02913	1.1
187.04495	1.0
189.00597	0.6
189.02478	0.6
189.04193	0.8
189.05983	0.7
190.95369	6.4
191.03796	0.5
191.05885	0.6
191.08142	2.2
192.06532	26.9
192.98630	0.8
193.00140	2.0
195.01685	0.8
199.04549	1.3
200.04596	0.9
200.09102	2.9
203.02296	0.6
203.04050	1.6
205.00223	0.9
208.96436	4.3
209.09099	0.7
210.07567	18.5
211.07832	0.6
214.95413	0.7
215.04018	0.8
216.98665	0.8
219.01854	2.0
221.01729	2.5
221.04973	1.6
222.01996	0.8
227.00441	0.9
227.11414	7.9
228.08632	20.7
232.96458	7.4
234.06627	0.8
234.08707	6.4
237.02805	1.4
245.01578	1.0
245.11302	5.5
250.97478	5.4
252.09863	3.5
257.04996	1.2
262.97180	0.9
263.02737	2.9
264.02963	6.7
265.02621	0.9
267.00082	0.7
270.10840	1.5
280.94876	0.7
286.97406	0.9
287.05743	3.7
287.13455	100.0
288.07462	0.8
288.13766	1.6
288.20285	1.4
304.98444	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0547
Annotation	Luteolin
Peak:m/z	Relative Intensity
53.03934	0.3
54.44344	0.1
54.98436	0.1
55.01863	0.2
55.05493	0.2
56.96529	0.1
57.03424	0.1
59.55576	0.1
65.03918	0.3
67.01839	0.2
67.05487	0.4
68.99781	2.3
69.03409	0.4
69.07060	2.2
70.06569	0.5
70.68165	0.4
71.01342	0.2
71.04983	0.1
72.08141	0.1
74.06056	0.1
79.05480	1.0
79.16709	0.1
81.03384	0.3
81.07042	0.5
84.08116	0.3
85.02898	0.2
85.06532	0.2
86.09706	0.5
91.05453	0.4
92.21314	0.1
93.07024	0.5
94.06542	0.4
95.04951	0.5
95.08592	0.4
97.02884	0.2
97.06514	0.2
99.08070	0.2
103.05458	0.3
105.03378	1.0
105.07037	0.2
107.04949	1.2
107.08578	0.3
109.02853	0.9
110.67180	0.1
111.00801	1.4
111.04435	0.5
112.07561	0.3
115.05434	0.1
117.07005	0.2
118.06520	0.2
119.04943	0.2
119.08558	0.1
120.08035	0.2
121.02854	6.3
121.03902	0.4
121.06488	0.1
121.10125	0.2
122.06014	1.1
124.07580	0.2
127.03884	0.4
128.06172	0.1
129.06976	0.5
131.04845	0.1
131.08516	0.2
133.02824	0.9
133.06439	0.1
133.10115	0.1
135.04388	0.5
135.11623	0.2
137.02322	2.3
139.05411	0.2
140.07053	3.1
141.06961	0.2
144.08173	0.1
145.06493	0.6
145.10132	0.2
146.06018	0.3
146.09532	0.1
147.04398	1.3
148.07558	1.7
151.03856	0.2
153.01816	11.3
154.02132	0.2
155.06003	0.2
157.06464	1.5
161.05969	0.5
164.07024	0.2
165.01825	3.4
171.03029	0.2
171.04413	0.6
173.05875	0.2
173.13162	0.2
175.03842	0.3
175.07574	0.1
177.05431	0.1
183.02867	1.5
185.05949	1.3
187.14575	0.1
189.05437	0.4
197.05975	0.5
199.03801	0.1
203.03326	0.2
203.06989	0.3
212.04616	0.2
213.05446	3.2
214.05815	0.1
216.04266	0.1
217.05032	0.2
229.04939	0.5
231.06512	1.3
238.18037	0.1
241.04904	1.7
242.11728	0.3
243.06502	0.3
243.14954	0.3
245.04510	0.2
257.04590	0.1
258.05219	2.3
259.05975	0.9
269.04318	0.2
269.12790	0.3
270.11301	0.3
281.95358	0.1
287.05466	100.0
288.02567	0.2
288.05780	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	287.0547
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33080	0.1
53.03929	0.2
54.31599	0.1
55.01859	0.2
59.25868	0.1
65.03915	0.4
67.01845	0.4
67.05487	0.2
67.70903	0.1
68.99784	2.1
69.03413	0.2
69.66331	0.7
79.05476	0.8
81.03403	0.4
81.07022	0.3
85.02916	0.2
91.05469	0.2
93.07022	0.3
95.01239	0.1
95.04951	0.4
95.08595	0.2
97.02859	0.1
102.95356	0.1
103.05452	0.3
105.03382	0.9
105.04481	0.1
105.06990	0.3
107.04942	1.4
109.02882	0.7
109.10133	0.2
111.00800	1.2
111.04430	0.5
115.05429	0.2
117.06992	0.2
119.04922	0.3
119.08570	0.2
121.02854	7.2
121.03915	0.3
121.06403	0.1
121.10109	0.2
123.11687	0.1
127.03878	0.3
128.06261	0.2
129.06963	0.3
131.04967	0.1
133.02838	0.9
133.06552	0.1
133.10121	0.2
135.04398	0.4
137.02342	2.2
139.05432	0.1
141.07048	0.2
145.06480	0.6
147.04384	1.3
147.08098	0.1
147.11725	0.1
149.02277	0.2
153.01814	10.8
154.02113	0.1
157.06476	1.5
161.02434	0.1
161.05939	0.7
163.03859	0.2
164.07076	0.2
165.01820	3.5
166.02342	0.1
171.02963	0.2
171.04402	0.7
173.05972	0.1
175.03920	0.2
175.07617	0.1
183.02878	1.6
183.04492	0.1
184.05223	0.1
185.05940	1.2
189.05428	0.3
191.03389	0.1
197.05960	0.4
198.10675	0.1
199.03824	0.1
199.14842	0.1
201.65135	0.1
203.03384	0.2
203.07022	0.3
212.04588	0.1
213.05443	2.8
216.04178	0.2
217.04984	0.1
229.04904	0.4
231.06479	1.4
241.04919	1.4
243.06555	0.1
244.03880	0.1
245.04399	0.2
258.05219	2.5
259.06024	0.8
269.04456	0.3
269.22531	0.1
286.04727	0.1
287.05466	100.0
288.05820	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	287.0546
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01630	0.1
53.03928	0.2
55.01850	0.2
65.03911	0.5
67.01849	0.4
67.05480	0.4
67.06621	0.2
68.99779	2.2
69.03421	0.5
69.07058	0.8
69.20775	0.4
69.21180	1.5
70.06574	0.6
72.08146	0.3
79.05490	0.8
81.03416	0.2
81.07026	0.2
84.04468	0.2
84.08125	0.5
85.02879	0.3
86.09682	0.4
91.05470	0.6
94.06546	1.8
95.04942	0.7
97.02907	0.2
98.20782	0.2
103.05441	0.4
105.03377	1.0
105.06986	0.2
107.04945	1.1
109.02835	0.7
110.05983	0.2
110.07144	0.2
111.00793	1.4
111.04432	0.4
112.07553	0.2
115.05402	0.2
117.06953	0.2
118.06487	0.8
119.04969	0.2
120.08070	0.3
121.02855	7.3
121.06493	0.2
122.06014	2.6
127.03920	0.3
128.06245	0.2
129.07002	0.4
129.10222	0.2
133.02824	0.9
135.04416	0.4
136.07518	0.4
137.02312	2.2
140.07048	3.7
145.06491	0.7
146.05946	0.4
147.04382	1.4
147.06787	0.2
148.07558	3.4
149.09648	0.2
153.01808	11.2
157.06458	1.5
161.05930	0.4
164.07068	0.2
165.01817	3.4
165.03117	0.3
171.02940	0.3
171.04387	0.7
175.07536	0.2
183.02876	1.9
185.05933	1.1
185.42946	0.2
194.02113	0.2
199.03885	0.2
203.07019	0.3
207.31786	0.2
213.05392	2.9
216.04211	0.2
229.04958	0.3
231.06422	1.2
241.04919	1.7
241.13420	0.2
242.11740	0.3
243.06429	0.2
253.39848	0.2
258.05215	2.3
259.06003	0.8
269.04443	0.5
269.12799	0.7
270.11163	0.2
285.88480	0.2
287.05457	100.0
288.05789	3.2
302.22498	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0549
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	0.3
55.05497	0.5
59.78430	0.3
62.91876	0.2
65.03921	0.5
67.01843	0.3
67.05486	0.7
68.99787	2.6
69.03420	0.5
69.07054	1.0
70.06571	0.2
70.65201	0.7
71.01335	0.3
71.04990	0.2
79.05476	1.0
79.64527	0.2
81.03418	0.7
81.07069	1.3
86.09657	0.4
91.05473	0.7
93.07056	1.1
94.06544	0.3
95.04948	1.0
95.08630	1.3
97.06535	0.2
103.05438	0.4
105.03403	1.4
105.07021	1.0
107.04953	1.3
107.08569	0.7
109.02871	1.0
109.06550	0.4
109.10143	0.4
111.00813	1.5
111.04424	0.5
111.11749	0.3
119.04897	0.3
119.08578	0.7
121.01999	0.5
121.02857	7.2
121.06451	0.4
121.10162	0.5
123.11723	0.4
127.03870	0.3
129.07002	0.6
131.08514	0.4
133.02846	0.7
133.10147	0.7
135.04422	0.4
135.08051	0.4
135.11734	0.3
137.02336	2.3
137.13205	0.3
140.07062	0.3
141.07027	0.4
145.06479	0.8
145.10088	0.5
146.06032	0.3
147.04378	1.8
147.11702	0.3
149.02341	2.5
153.01823	11.0
154.02094	0.3
157.06450	1.7
159.11665	0.6
161.05981	0.4
161.13222	0.5
163.11209	0.3
165.01817	2.9
165.35516	0.2
171.04417	0.8
171.11737	0.3
175.03859	0.3
183.02861	2.4
185.05937	1.4
189.05414	0.3
199.03911	0.3
203.06964	0.4
213.05476	3.7
229.04964	0.6
231.06519	3.0
241.04932	2.0
243.06316	0.4
258.05228	2.2
259.06018	2.1
260.92172	0.3
269.04279	0.3
269.22491	0.4
287.05484	100.0
287.23676	1.5
288.05823	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0546
Annotation	Luteolin
Peak:m/z	Relative Intensity
53.03925	0.2
55.01844	0.2
56.36275	0.1
65.03925	0.5
67.01849	0.5
67.10079	0.1
68.99783	2.6
69.03418	0.3
70.54955	0.5
79.05484	0.6
81.03394	0.4
81.34933	0.1
95.04944	0.5
103.05461	0.2
105.03374	0.9
107.04942	1.3
109.02866	0.9
111.00790	1.8
111.04430	0.5
115.05443	0.2
117.07018	0.2
119.04942	0.1
121.02853	8.2
121.03860	0.3
121.06415	0.1
127.03900	0.3
128.06230	0.1
129.06961	0.5
130.26414	0.1
133.02844	0.9
135.04382	0.3
137.02327	2.4
141.06929	0.4
145.06473	0.5
147.04390	1.6
153.01810	11.9
154.02161	0.3
157.06468	1.6
161.02310	0.2
161.05974	0.5
163.03883	0.2
165.01823	3.6
169.06433	0.2
171.02940	0.2
171.04393	0.7
173.05928	0.1
175.03973	0.3
177.91714	0.1
183.02875	1.9
184.05157	0.2
185.05936	1.1
189.05476	0.4
191.03404	0.1
197.05945	0.4
201.05518	0.2
203.03316	0.2
203.07018	0.3
213.05450	3.9
216.04214	0.3
229.04878	0.7
231.06461	1.6
241.04910	1.6
242.05519	0.2
243.06413	0.2
257.51862	0.1
258.05209	2.4
259.05948	1.0
267.78854	0.1
269.04495	0.3
275.95337	0.1
286.04462	0.2
287.05466	100.0
288.05826	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	285.0753
Annotation	Wogonin
Peak:m/z	Relative Intensity
52.48573	0.3
53.53841	0.2
53.64698	0.2
55.05491	0.3
58.86662	0.2
66.56116	0.3
67.05489	0.3
67.97961	0.2
68.99786	0.6
70.38795	0.9
70.48590	0.2
81.03395	0.2
81.07044	0.4
81.42833	0.2
82.10885	0.3
91.05440	0.4
95.05003	0.3
98.98431	0.3
99.00805	0.9
103.05468	0.3
105.03378	1.9
107.08614	0.2
112.01580	1.0
127.00273	1.3
139.00259	0.2
140.01039	1.3
141.07057	0.2
154.99733	0.4
168.00533	10.2
168.05647	0.4
181.04915	0.7
184.05287	0.3
186.01590	10.4
196.05156	0.6
213.05479	0.6
224.04686	0.3
239.06975	0.7
241.04988	0.7
242.05698	2.6
269.04440	1.2
270.05209	100.0
271.05573	2.8
284.29303	0.3
285.07550	75.0
286.07965	2.1
294.90265	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	284.0988
Annotation	NSC19994
Peak:m/z	Relative Intensity
53.22198	0.2
56.19165	0.2
56.96557	1.5
57.03424	0.7
60.64308	0.2
61.02905	0.2
69.03402	0.5
70.06582	0.6
70.81200	0.7
72.08149	0.2
73.02920	0.3
82.06580	0.2
84.08127	0.4
85.02871	0.6
93.95393	0.2
94.84624	0.2
95.05008	0.2
97.02844	0.2
98.97577	3.1
101.00871	0.5
109.05127	0.5
110.03512	1.7
110.09658	0.2
110.97625	0.3
116.98609	2.1
119.01897	1.5
120.97869	0.3
124.19930	0.2
128.04546	1.6
128.98621	0.3
131.01846	0.4
134.04517	0.2
134.99675	1.3
135.03008	3.6
136.06155	0.3
137.01906	0.3
137.02878	0.5
152.05658	100.0
153.00793	0.3
153.04070	8.0
153.05295	0.4
153.06007	0.5
154.01213	0.2
154.02440	0.3
158.02962	0.2
161.00224	0.5
173.01210	0.3
177.00938	3.1
178.01042	0.4
189.06042	0.3
190.95476	0.4
192.98628	0.3
201.00833	0.4
202.15388	0.2
211.99725	0.2
212.27261	0.2
212.89297	0.2
214.05632	0.3
217.03993	0.4
219.01999	4.6
220.02098	0.9
221.01886	0.6
225.00999	0.6
228.38304	0.2
234.99712	0.4
238.05528	0.2
243.01978	1.5
244.02203	0.2
256.06641	1.1
260.04410	0.3
260.99820	0.8
261.03033	23.1
262.03146	2.1
270.83032	0.2
279.00488	2.5
284.04565	1.0
284.09708	0.3
284.29523	0.5
302.05853	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.0749
Annotation	Wogonin
Peak:m/z	Relative Intensity
50.84883	0.2
53.03923	0.2
55.01114	0.2
57.07076	0.3
63.00035	0.3
67.05491	0.5
68.99773	0.9
69.07047	0.4
69.88530	1.1
79.05455	0.4
79.47749	0.2
81.03394	0.2
81.07034	0.9
84.02122	0.4
89.45036	0.2
91.05469	0.5
93.06995	0.7
95.04947	0.3
95.08593	0.6
98.98469	0.2
99.00805	1.1
103.05441	0.2
105.03383	2.3
105.07005	0.7
107.05042	0.2
107.08570	0.7
112.01552	0.8
117.07006	0.3
118.96590	0.2
119.08578	0.6
121.10143	0.4
123.08052	0.2
127.00217	1.2
128.06209	0.2
131.04958	0.3
133.10124	0.3
135.11705	0.3
137.02277	0.3
140.01053	1.1
140.06178	0.5
145.10051	0.5
147.11665	0.4
154.99742	0.3
157.10228	0.3
159.11635	0.3
161.05974	0.2
165.06992	0.6
168.00526	10.6
168.05707	0.5
171.04424	0.4
171.11523	0.2
181.04851	0.5
186.01588	9.1
193.06477	0.4
196.05122	0.3
201.05333	0.2
213.05414	0.3
221.06039	0.3
224.04701	0.4
225.09102	0.8
239.07039	0.8
241.04961	0.7
242.05685	2.5
243.06052	0.3
253.05006	0.6
253.08498	1.3
269.04379	1.2
270.05206	100.0
271.05551	2.9
285.07547	81.2
285.21585	1.0
286.07874	2.9
293.80807	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	284.0972
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20645	2.4
53.03929	11.4
55.01874	13.7
57.03426	7.1
61.02915	8.0
69.03426	40.7
71.04642	6.4
71.05000	7.1
73.02907	14.2
81.03414	28.6
85.02901	100.0
87.00826	40.6
88.72756	2.7
89.72533	2.9
97.02883	57.3
99.04445	19.6
105.01861	56.4
105.03354	5.1
108.04469	8.7
109.02865	28.6
115.03967	2.7
126.05464	4.0
127.02969	5.2
127.03908	95.1
145.03935	2.6
145.04950	72.6
147.02902	3.5
158.03270	2.6
159.02879	36.1
177.04037	3.0
230.06660	2.8
231.04976	22.8
248.07785	4.8
249.06075	7.7
269.49518	3.5
284.06360	6.4
284.09662	2.6
284.29517	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	284.0988
Annotation	Unknow
Peak:m/z	Relative Intensity
51.30197	2.9
56.96558	26.0
57.03423	4.1
69.03417	7.2
69.07050	2.4
70.06573	13.9
71.01334	3.9
71.51991	4.0
72.08138	5.0
72.24473	2.4
84.08124	8.3
85.02890	11.7
86.09705	2.9
97.02911	5.2
98.97580	10.6
107.04937	3.4
109.05089	5.0
110.03501	3.6
110.07169	8.1
110.09647	3.7
112.07589	4.5
116.98628	10.8
119.01846	2.8
125.04604	3.6
126.07801	4.3
127.06150	9.7
130.08621	3.8
134.99655	8.2
135.03000	4.1
136.06166	96.4
137.04572	6.3
138.05547	3.5
139.30641	2.5
146.99617	3.8
148.04790	2.6
152.05650	100.0
152.06889	5.1
154.07228	11.2
156.03290	9.4
158.99628	5.7
161.01230	3.3
168.03401	3.3
168.68629	2.9
174.04358	30.1
174.05872	3.5
177.00755	3.4
178.07246	4.2
186.04375	27.2
192.05402	5.9
204.05399	40.6
213.12158	2.8
219.01785	4.3
222.06427	3.2
237.02650	4.3
261.03036	3.1
266.09106	4.9
284.01376	3.6
284.09903	28.2
284.29434	10.7
302.02441	3.2
302.05780	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	283.2265
Annotation	12(S)-hydroxy-16-Heptadecynoic Acid
Peak:m/z	Relative Intensity
55.01860	12.0
55.05498	23.1
56.10995	8.4
57.07050	11.3
67.05489	25.6
69.07056	37.6
70.42321	8.3
70.42662	31.5
79.05482	31.4
79.09126	7.9
81.07036	28.7
83.04951	9.3
83.08617	20.0
84.37743	7.1
89.06026	12.4
91.05503	12.2
93.07034	40.6
95.08598	35.7
97.10147	9.8
105.06969	10.1
107.08570	23.4
109.10172	11.9
121.10122	43.2
135.11652	21.3
149.13301	8.6
153.12724	8.8
166.54778	8.0
177.11163	8.0
202.24808	8.3
219.21115	24.5
229.19398	9.4
251.09303	9.8
283.06055	100.0
283.20718	10.8
284.06296	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	283.2266
Annotation	12(S)-hydroxy-16-Heptadecynoic Acid
Peak:m/z	Relative Intensity
55.01875	40.7
55.05503	24.6
57.07059	12.8
65.35783	6.9
67.05507	72.7
69.07054	37.8
70.24094	31.4
71.08597	12.6
79.05490	19.0
81.07047	85.6
83.04958	14.7
83.08604	17.8
89.06039	10.5
91.05470	13.9
93.07035	31.9
95.08600	100.0
97.10147	9.5
99.08076	16.2
105.07023	11.8
107.08577	16.0
109.10148	38.1
111.08055	34.7
119.08569	9.3
121.02924	7.9
121.10128	23.8
123.11698	18.2
131.08534	8.8
132.05928	7.5
134.00531	7.5
135.11670	12.3
145.10098	7.6
151.14828	7.0
180.94107	6.2
265.21582	58.2
283.06021	89.9
283.09183	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	284.0465
Annotation	Unknow
Peak:m/z	Relative Intensity
52.23711	0.4
55.01862	0.5
56.96296	0.7
56.96558	6.3
57.03421	0.6
58.72663	0.6
61.26186	0.5
67.97256	0.5
69.03404	0.9
69.41511	0.5
70.01405	1.1
70.01797	1.2
70.06565	0.9
71.95202	0.8
72.08138	0.7
73.02863	0.5
79.37943	0.5
84.04500	0.8
84.08127	1.6
85.02883	1.2
97.02874	1.3
98.21587	0.6
98.97575	18.1
99.97935	0.9
100.31322	0.5
100.97153	0.6
101.00872	1.6
102.96845	0.6
110.03517	0.8
110.09689	0.9
115.34969	0.5
116.98619	13.6
118.98177	0.6
119.01911	9.5
121.28762	0.5
130.93303	0.8
131.01854	1.0
134.99664	8.3
135.03001	1.3
136.06139	0.8
136.07579	0.7
137.02919	2.6
146.99597	0.8
150.07687	1.3
151.08028	0.5
152.05667	23.9
152.09276	0.7
153.00725	1.4
153.04053	2.2
158.99826	1.0
161.03012	0.6
172.94350	1.2
173.02904	0.6
174.97627	0.6
176.05644	0.6
177.00941	17.9
178.01024	1.4
182.99724	0.5
189.06212	0.6
190.95389	1.6
192.98749	0.8
195.02054	0.5
201.00858	1.3
208.96391	0.9
217.04018	2.8
219.01982	25.8
220.02200	1.4
221.01775	1.4
225.00937	2.1
232.96394	1.0
234.99783	1.4
235.99911	0.7
241.02879	0.6
243.01894	6.3
260.00082	0.8
260.04477	1.2
260.99783	4.4
261.03040	100.0
262.03183	4.2
271.50098	0.6
277.00992	0.6
278.97067	1.6
279.00534	12.0
284.00174	0.6
284.04630	4.4
285.04803	0.5
302.01337	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	283.0599
Annotation	3-Hydroxy-8,9-methylenedioxypterocarpene
Peak:m/z	Relative Intensity
54.97327	0.8
64.72685	0.8
67.05495	1.2
69.07049	0.9
70.81126	1.1
70.81470	2.1
75.67242	0.8
81.07030	1.1
82.10419	0.7
89.06030	1.0
93.06963	0.9
94.44256	0.9
95.01318	1.7
95.08599	1.5
103.05458	5.2
105.03365	2.9
107.01279	3.1
111.84666	0.8
121.10104	1.4
122.99966	1.2
123.00788	18.0
138.21515	0.8
141.01823	3.1
141.06932	1.1
142.30646	0.9
152.93004	0.8
153.01782	2.8
181.06558	1.4
194.57806	0.8
221.52011	0.9
225.05348	1.3
227.07126	1.4
237.05237	1.0
244.92947	0.9
253.04901	12.2
255.06528	3.2
282.27841	1.6
283.05972	100.0
283.28226	1.0
284.06366	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	283.2265
Annotation	Unknow
Peak:m/z	Relative Intensity
50.64076	2.1
55.05499	10.9
57.03424	5.4
57.07068	36.0
62.60101	2.2
67.05497	21.5
69.07061	10.7
69.33205	17.9
69.33623	5.5
71.01335	6.9
71.04992	2.1
71.08623	2.3
71.83424	2.2
72.46905	2.3
79.05494	4.9
81.07045	28.0
83.08625	7.0
85.06537	4.9
89.06029	2.2
91.05451	2.9
93.07038	9.8
95.08603	27.9
97.10160	6.6
98.21529	4.1
105.07036	6.1
107.08607	5.6
109.10144	7.9
113.05977	3.3
113.25884	2.2
121.10135	8.2
123.08049	2.4
123.11723	2.1
127.11188	6.7
139.11194	2.3
147.11700	2.7
155.14276	11.7
169.12224	100.0
225.05460	2.5
237.22105	22.5
265.21609	5.6
283.05963	28.5
283.16922	2.4
283.28345	6.1
284.33212	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	282.0135
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	0.8
56.96301	1.0
56.96561	14.2
57.03443	1.3
58.31091	0.9
61.01125	1.4
67.22716	0.8
69.03414	1.2
70.00947	1.4
70.01350	2.6
70.06589	1.1
71.95245	2.7
73.02908	1.9
79.52016	0.8
84.04501	0.8
84.08139	2.9
84.96025	1.0
85.02883	2.2
96.90775	0.9
97.02879	2.2
98.21455	1.1
98.97577	84.3
101.97158	0.9
102.96850	1.1
110.97548	1.9
116.98611	65.6
119.01900	2.4
120.04436	1.4
128.98611	2.8
133.05070	1.2
134.99649	39.0
140.00174	1.6
140.52258	0.7
144.98091	0.8
146.99660	2.5
150.07739	100.0
153.00681	5.3
158.01274	1.7
158.99626	1.4
170.99612	0.8
177.00882	5.1
178.01004	1.3
183.04907	0.9
189.00676	3.0
192.98647	1.2
201.00946	1.2
201.04433	1.1
201.78885	0.8
204.10498	0.8
216.98669	0.9
219.01973	8.3
220.02078	2.2
234.99783	2.4
237.02710	1.1
240.98671	2.7
258.99713	32.7
259.99896	1.4
277.00784	85.4
278.00772	2.0
282.01288	1.5
282.09454	1.2
282.12091	5.7
300.02435	3.4
301.00955	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.1745
Annotation	Furodysinin hydroperoxide
Peak:m/z	Relative Intensity
51.54169	1.4
53.03930	9.3
54.19497	1.6
55.01853	5.3
55.05243	2.2
55.05505	32.7
57.03436	24.8
57.07061	3.1
65.03921	4.7
67.05499	82.5
68.05780	1.5
68.99077	1.9
69.03412	2.7
69.07066	15.0
71.04967	2.7
71.05877	2.5
73.06545	2.4
73.71269	1.6
78.37691	1.6
79.05486	100.0
81.03410	15.0
81.07050	67.9
83.04977	34.5
83.08640	10.0
83.09035	2.3
85.06525	4.3
91.05465	60.0
93.07036	65.9
95.04960	31.2
95.08592	41.8
97.06515	6.7
97.10143	6.2
98.97559	2.8
105.04523	1.8
105.07021	53.3
107.04935	8.4
107.08584	23.0
109.06515	6.9
109.10160	8.1
111.08056	2.7
115.05456	1.9
117.07030	9.6
119.08581	29.3
121.06487	5.4
121.10099	6.2
123.08049	10.1
123.11689	1.7
127.07558	2.2
128.06212	3.2
128.90053	1.6
129.06975	16.2
131.08580	3.7
133.06494	1.7
133.10123	14.1
135.08054	2.0
135.11623	3.2
137.06049	1.7
143.08490	6.2
145.10095	10.7
147.08022	4.5
147.11674	34.3
161.09569	5.2
161.13211	13.2
163.11127	2.5
171.11693	22.5
175.14584	1.6
189.12677	8.4
207.13783	10.9
281.17395	34.6
283.03076	2.0
299.06131	3.7
300.07004	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.1746
Annotation	Furodysinin hydroperoxide
Peak:m/z	Relative Intensity
50.10292	1.3
51.02356	1.4
53.03944	7.5
55.01868	3.6
55.05508	32.0
57.03434	28.2
57.07055	1.4
59.05005	1.2
65.03936	4.6
67.05501	76.4
69.03414	4.2
69.07061	17.4
69.99937	4.4
71.04986	3.2
72.08144	1.2
74.25629	1.1
79.05489	100.0
80.05846	1.2
81.03418	12.6
81.07051	61.6
83.04976	33.8
83.08619	8.0
85.02876	1.4
85.06558	2.8
87.04427	1.3
89.29855	1.1
91.05473	70.0
93.07035	71.0
95.04964	29.7
95.08601	35.8
95.92062	1.4
95.92644	1.6
97.02900	2.3
97.06535	6.7
97.10163	5.2
98.97559	1.6
103.05463	2.1
105.04539	2.1
105.07024	49.2
107.04969	6.5
107.08584	24.5
109.06515	9.0
109.10130	8.0
111.08074	3.3
115.05466	1.5
117.07005	12.2
119.08569	32.2
121.06494	4.6
121.10155	4.8
123.08038	8.7
127.07506	1.8
128.06218	4.6
128.31415	1.2
129.06999	16.1
131.08563	3.9
133.06503	1.8
133.10144	11.8
133.70976	1.3
135.08022	2.1
135.11681	2.9
137.09633	1.7
143.08571	9.9
145.10085	11.1
147.08034	2.5
147.11679	37.8
161.09628	4.1
161.13260	15.2
163.11142	1.8
171.11681	27.8
180.58363	1.4
187.33490	1.4
189.12688	9.3
207.13806	13.1
220.01735	1.5
272.14545	2.4
281.17422	39.0
299.06088	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.2315
Annotation	alpha-Linolenic Acid
Peak:m/z	Relative Intensity
52.69181	0.7
53.03974	0.8
55.05502	7.6
57.07072	3.3
64.11575	0.8
65.03932	1.7
67.05496	100.0
69.07059	8.3
69.83194	3.3
69.83599	1.9
71.04970	1.5
72.70061	0.8
79.05478	10.7
81.07046	94.9
82.07368	1.2
83.04977	1.1
83.08617	3.3
85.06535	1.2
91.05484	2.8
93.07022	7.5
95.08595	68.1
96.08910	1.3
97.06551	1.5
97.10151	2.1
105.07037	1.5
107.08585	5.2
109.06486	0.9
109.10141	38.8
111.11709	1.0
119.08576	2.2
121.10146	5.3
123.08071	1.8
123.11687	25.1
131.08557	3.1
133.10118	2.1
135.11723	3.0
137.09647	1.2
137.13243	10.1
147.11696	2.2
149.02327	7.9
149.09547	1.0
149.13275	2.5
151.14828	2.6
159.11690	1.5
161.13248	1.4
163.11205	1.2
163.14830	1.3
164.85477	0.7
173.13281	2.9
177.12753	1.1
187.14777	1.7
193.41158	0.9
201.16251	0.8
209.15370	1.6
223.16914	2.6
237.18546	1.2
243.21089	1.4
261.22211	2.2
279.23163	29.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.1745
Annotation	Furodysinin hydroperoxide
Peak:m/z	Relative Intensity
53.03943	9.6
55.01849	4.4
55.05506	30.6
57.03432	25.9
57.07057	3.2
58.22355	1.6
59.12096	1.6
65.03928	3.4
67.05500	84.5
69.03422	2.3
69.07066	15.3
70.95625	4.1
71.04970	4.7
73.06544	3.2
79.05488	100.0
81.03418	17.1
81.07049	69.0
83.04975	33.4
83.08613	12.2
85.06509	4.1
88.08103	1.5
91.05476	70.2
93.07037	79.6
95.04964	30.5
95.08599	46.8
97.02875	2.8
97.06502	6.6
97.10165	6.4
98.97568	4.1
103.05439	2.2
105.07023	56.2
107.04932	9.5
107.08582	23.9
109.06511	11.2
109.10164	8.9
111.08078	2.5
117.07034	11.5
119.08576	37.8
121.06496	4.0
121.10132	5.9
123.08054	11.2
125.06014	1.8
127.03874	1.7
127.07519	2.8
128.06183	3.3
129.07010	17.8
131.08577	3.4
133.10114	20.3
135.11659	4.0
137.09590	1.8
143.08546	10.6
145.10068	10.8
147.08020	3.6
147.11682	44.0
149.02359	1.9
151.12929	1.7
156.09300	2.4
159.11627	2.4
161.09628	5.4
161.13255	17.0
163.11214	2.1
171.11693	30.3
183.95854	1.6
189.12682	10.8
207.13736	10.9
252.93143	2.7
263.16241	2.6
266.99722	2.8
281.17407	35.6
299.06049	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	279.2314
Annotation	alpha-Linolenic Acid
Peak:m/z	Relative Intensity
53.00076	0.7
53.03939	1.9
55.05506	9.8
57.03435	1.6
57.07067	3.8
65.03919	2.6
67.05495	100.0
68.05833	1.0
69.07062	9.3
70.97567	1.6
71.04995	2.1
71.08635	0.6
75.28632	0.7
76.60719	0.6
79.05479	11.9
81.07044	98.1
82.07389	1.0
83.04952	1.2
83.08601	5.5
85.06516	1.3
91.05463	5.4
93.07030	13.5
95.04978	0.9
95.08593	74.6
96.08942	1.0
96.67475	0.6
97.06511	1.5
97.10153	2.2
105.07030	3.0
107.08563	7.5
109.06491	1.2
109.10139	44.0
111.08113	0.8
111.11658	1.5
117.06979	1.3
117.79250	0.6
119.08539	4.5
121.10139	8.1
123.08035	1.7
123.11687	23.7
124.11839	0.7
127.07570	0.8
131.08559	3.8
133.10138	3.3
135.08031	0.9
135.11670	5.8
137.09618	2.0
137.13237	7.6
145.10147	3.5
147.11693	2.3
149.02322	11.3
149.09598	1.8
149.13234	2.9
151.11267	1.0
151.14809	2.8
153.00482	0.8
159.11703	2.7
161.13304	1.6
163.11166	1.9
163.14865	1.4
165.12730	0.8
166.37405	0.7
167.10690	1.0
173.13252	2.5
177.12785	1.2
177.16399	1.3
179.14354	0.8
181.12242	1.3
187.14743	3.3
191.14313	0.9
195.13811	2.0
201.16501	0.7
209.15352	1.9
223.16898	2.9
237.18527	1.1
243.21106	2.7
261.22159	3.3
279.19965	2.1
279.23138	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	279.0386
Annotation	Unknow
Peak:m/z	Relative Intensity
52.73870	0.8
56.96555	10.5
62.62717	0.8
69.03439	0.9
70.14478	3.4
70.14845	1.1
71.95255	1.4
85.02904	1.0
96.90970	0.7
97.02852	1.5
98.36228	0.7
98.97575	100.0
105.03413	0.9
109.93279	0.8
110.97559	26.0
116.98611	57.8
128.98599	33.2
128.99573	1.6
134.99643	20.1
140.00186	1.1
146.99635	18.5
149.02342	3.8
153.00754	2.1
158.01239	1.0
158.99637	32.4
161.01108	1.1
161.03046	1.0
163.31564	0.8
165.00684	1.4
170.99637	14.6
173.02774	0.9
177.00700	58.3
189.00694	30.8
195.01733	7.1
200.02322	2.3
201.00801	1.1
207.01723	19.5
207.03581	1.2
212.02435	1.6
219.01784	4.7
230.03365	1.1
237.02863	6.2
249.02794	1.4
255.03868	4.1
279.03781	5.1
287.30722	0.7
297.04922	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	279.1701
Annotation	Unknow
Peak:m/z	Relative Intensity
52.83778	0.3
55.01869	0.4
55.73166	0.3
56.05011	0.5
57.07067	2.2
67.05497	1.3
69.03419	0.5
69.07063	11.4
69.36177	2.1
69.36588	0.8
70.06582	0.9
72.08123	0.4
75.11191	0.3
79.05471	0.5
81.03429	0.5
81.07060	0.9
84.08139	0.6
85.02908	0.5
86.09697	100.0
87.10017	0.7
91.05473	0.9
93.07040	1.0
95.08618	0.6
96.10509	0.3
98.21490	0.7
105.03379	0.9
105.07030	0.8
107.04942	0.5
107.08617	0.5
116.98571	0.5
117.06946	0.3
119.08556	0.6
120.08093	11.1
120.08956	0.6
121.02840	1.1
122.05987	0.4
131.08568	0.6
133.06491	0.5
133.10153	0.4
135.11708	0.4
136.07555	0.8
137.58080	0.3
145.02831	0.4
145.10147	0.6
147.11670	0.3
147.20338	0.3
149.02327	14.8
150.05484	0.4
159.08034	0.4
159.11751	0.4
166.08607	5.7
167.03464	0.5
177.09207	0.3
179.50334	0.3
222.80217	0.3
233.12808	0.5
233.16389	0.5
243.13809	0.4
251.10362	0.4
261.12390	0.5
261.15018	0.8
262.19342	0.3
279.10519	0.4
279.13437	0.6
279.16916	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.1701
Annotation	Leu Phe
Peak:m/z	Relative Intensity
57.00769	0.5
57.07061	0.8
70.68625	0.9
71.33884	0.4
86.09699	100.0
87.10055	0.5
93.07027	0.9
103.05457	1.7
120.08098	36.6
121.08465	0.6
130.67232	0.5
132.10196	0.4
149.02348	4.3
151.77405	0.5
160.07626	0.6
166.08624	9.7
233.16409	0.7
238.40767	0.5
243.07056	0.5
279.17056	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	279.2315
Annotation	Gorlic acid
Peak:m/z	Relative Intensity
52.91501	0.5
53.03944	1.4
55.01857	1.2
55.05503	10.2
57.03418	1.0
57.07066	4.8
65.03932	2.7
67.05497	96.6
69.06684	0.6
69.07063	11.5
69.39950	1.2
69.40363	3.2
71.03805	0.5
71.04981	1.7
79.05019	0.6
79.05486	13.2
81.07046	100.0
81.26169	0.6
82.07368	1.5
83.04986	1.4
83.08602	5.9
85.06532	1.2
85.10163	1.7
87.04478	0.5
91.05465	6.2
93.06484	0.8
93.07043	11.9
93.31570	0.5
94.22674	0.5
95.04964	0.7
95.08595	76.8
96.08923	0.8
97.06519	2.2
97.10155	3.7
99.08088	0.7
105.07040	3.6
107.08584	9.1
108.19570	0.5
109.06477	1.4
109.10142	47.2
111.08089	0.7
111.11667	0.8
113.05997	0.6
113.09624	2.4
115.18238	0.5
117.06982	1.7
118.88418	0.5
119.08572	3.4
121.02854	0.8
121.10132	8.4
123.08063	1.5
123.11689	24.3
125.09570	0.7
127.07536	0.8
131.08562	3.5
133.10106	4.0
135.08064	1.1
135.11678	4.3
137.09592	2.0
137.13243	10.0
141.09059	0.7
145.10097	3.5
147.11688	2.1
149.02324	15.5
149.09607	1.7
149.13203	3.6
151.11151	2.3
151.14807	2.9
153.09111	0.8
159.11665	2.3
161.13231	1.6
163.11140	1.4
163.14807	1.7
165.12704	1.3
165.16342	1.0
167.10664	0.9
167.14272	0.6
173.13246	3.3
175.14824	0.8
177.12712	1.3
177.16386	0.7
179.14233	1.0
181.12193	1.5
187.14772	2.0
191.14330	1.2
195.13829	2.6
201.16318	1.0
205.15776	0.9
209.15311	2.8
219.21118	0.9
223.16899	3.4
237.18307	0.6
243.20998	3.2
261.22122	5.4
279.08936	0.7
279.19656	3.1
279.23135	38.6
280.23492	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	278.2192
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	2.4
55.01852	2.8
55.05269	0.9
55.05510	11.9
56.02202	0.9
56.05830	3.6
56.06075	0.9
57.03428	3.0
57.07056	4.1
57.11715	0.8
58.07413	1.1
63.59143	0.8
65.03926	1.4
65.66376	0.9
67.05499	25.0
68.05826	9.2
69.03429	1.0
69.07062	8.9
70.07379	3.3
70.71515	2.7
71.04979	4.1
71.08621	1.3
72.05319	1.4
77.33417	0.9
79.05483	20.7
79.66310	0.8
80.05816	8.6
81.03397	2.2
81.06590	1.6
81.07049	24.3
82.03719	1.2
82.07375	12.1
83.04972	4.9
83.08598	3.0
84.05297	1.3
84.08942	2.5
85.06530	2.6
91.05472	9.9
92.05788	6.4
93.07034	30.2
94.07369	18.0
95.04951	5.0
95.08599	29.5
96.05290	2.3
96.08932	16.8
97.06528	2.9
97.10134	1.6
98.06823	1.0
98.97538	1.6
99.08080	1.5
100.08379	0.8
105.07034	5.4
106.07350	6.1
107.04922	1.8
107.08586	12.2
108.08916	8.7
109.06517	2.5
109.10149	6.6
110.06851	1.9
110.10488	4.1
111.04465	1.6
117.07016	1.4
118.07351	1.8
119.08560	5.0
120.08897	5.1
121.06479	1.3
121.10140	9.1
122.10463	10.3
123.08063	1.9
123.11707	2.3
124.08385	1.7
124.12035	1.5
125.09599	1.3
128.98637	1.0
131.08600	2.0
132.08900	3.1
133.10150	5.4
134.10452	5.3
134.46591	0.8
135.11671	9.4
136.08383	1.3
136.12036	8.8
137.05952	2.3
137.09599	6.0
138.06294	2.7
138.09947	5.2
138.13626	1.5
144.08899	1.3
145.10068	1.7
146.10461	1.9
147.11694	2.4
148.12027	3.9
149.02328	11.9
149.13240	3.5
150.09981	1.1
150.13597	5.2
151.11154	1.6
152.11510	1.0
159.11668	1.6
160.12009	1.6
161.13239	1.6
162.13547	1.8
164.11493	1.0
166.13095	0.9
168.14606	1.0
171.11586	1.1
172.11995	1.5
174.13594	1.7
176.15169	2.1
177.00714	2.0
189.00616	1.0
190.16762	0.9
200.15186	1.2
214.16589	1.4
218.19792	1.0
232.21439	2.8
242.19844	3.1
251.24416	0.9
257.87372	1.0
260.20895	16.5
278.21936	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.216
Annotation	Stearidonic acid
Peak:m/z	Relative Intensity
53.03935	3.6
55.01855	2.9
55.05510	14.5
57.03437	5.1
57.07063	4.8
64.36588	0.9
65.03914	1.1
67.05499	34.9
69.03432	1.4
69.07065	13.2
69.87967	6.1
71.04994	6.4
71.05313	0.9
79.05024	1.2
79.05485	29.1
81.03397	3.2
81.07050	32.0
81.07531	1.9
83.04976	5.1
83.08611	5.7
85.06520	3.9
91.05465	16.3
93.07035	48.1
95.04950	5.4
95.08601	37.9
97.06509	3.5
97.10153	3.1
98.21481	2.0
99.08068	1.3
102.14449	1.1
105.04467	1.1
105.07024	12.4
107.04967	2.1
107.08588	21.3
109.06512	4.4
109.10144	13.3
111.08062	1.2
117.07009	3.9
119.08576	11.9
121.06400	1.0
121.10136	19.5
123.08067	3.9
123.11687	3.0
129.07021	1.8
131.08571	4.7
133.10104	9.4
135.11684	18.8
137.05927	1.5
137.09608	10.5
137.13199	1.1
139.11198	1.7
142.47133	1.0
143.08522	2.3
145.10124	3.5
147.11678	6.4
149.09567	2.1
149.13199	9.2
151.11189	2.1
157.10146	2.2
159.11670	2.8
161.13240	3.5
163.11131	1.5
163.14697	1.6
171.11627	2.3
173.13246	2.2
181.12222	1.8
185.13275	1.6
199.14935	1.3
221.15260	1.6
231.21068	1.4
235.16856	3.3
241.19521	3.8
259.20554	16.7
277.18530	3.3
277.21603	100.0
278.21939	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	277.216
Annotation	coniferonic acid
Peak:m/z	Relative Intensity
53.03921	4.1
55.05272	1.1
55.05508	16.4
57.07055	2.9
59.47881	1.0
60.77586	1.0
65.03923	1.3
66.35448	1.2
67.05499	30.3
69.07059	15.2
69.99443	5.0
71.04987	2.2
77.03884	1.3
79.05486	72.4
79.20485	1.1
80.99109	1.0
81.06593	2.2
81.07051	36.1
83.04971	2.1
83.08594	7.1
85.06548	1.3
85.85864	1.1
91.04907	2.0
91.05470	30.2
93.07035	100.0
94.07364	1.5
95.04932	5.3
95.08594	23.3
97.10145	3.3
105.04492	2.1
105.07023	12.6
107.08582	48.3
109.06514	2.0
109.10149	15.3
113.19689	1.1
117.07001	3.4
117.44385	0.9
119.08575	10.4
121.10134	36.2
123.11684	2.5
126.19759	1.3
129.07021	2.3
131.08502	2.4
133.10115	10.4
135.11676	52.8
143.08586	2.0
145.10117	2.7
147.11696	5.7
149.09641	2.4
149.13237	24.2
157.10101	1.3
159.11642	2.2
161.13225	4.5
163.14806	5.5
171.11676	2.3
173.13289	1.4
175.14835	1.8
181.12300	1.5
185.13301	2.7
189.60027	1.1
195.13728	2.1
213.16399	2.3
217.15935	1.3
221.15363	2.5
231.17519	1.3
235.16934	2.8
236.33501	1.2
241.19485	1.9
259.20520	2.9
277.21609	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	277.216
Annotation	Stearidonic acid
Peak:m/z	Relative Intensity
53.03930	6.2
55.01867	14.5
55.05506	79.5
57.07053	2.5
60.53710	1.3
67.05499	52.9
68.29057	1.4
69.06728	2.2
69.07062	23.0
69.97911	3.1
69.98318	5.8
71.04969	3.7
79.05485	30.4
81.03397	11.6
81.07047	50.7
83.04967	11.9
83.08607	100.0
85.06525	3.3
91.05472	36.4
93.07033	40.1
95.04964	9.9
95.05464	1.7
95.08598	25.3
97.06500	7.6
97.10144	4.8
99.08067	2.8
100.55622	1.4
105.07024	27.3
107.08586	21.7
109.06507	6.8
109.10136	11.5
111.08072	32.3
117.06989	4.0
119.08569	12.7
121.10126	17.2
122.47961	1.4
123.08054	3.5
123.11655	2.3
125.09599	2.3
129.07008	3.9
129.09105	4.8
131.08543	6.7
133.10106	29.0
135.08031	1.7
135.11661	13.1
137.09595	2.2
139.11171	13.0
145.10080	5.8
147.11691	15.3
149.09654	6.8
149.13240	24.5
151.11192	15.1
155.10680	1.4
157.10089	5.3
159.11694	4.0
161.13220	6.1
163.11148	1.9
163.14844	2.6
165.12711	15.9
167.14261	7.6
171.11700	3.0
173.13213	3.5
175.11180	4.5
175.14755	3.6
177.12709	1.5
179.14278	2.7
185.13278	3.3
189.12787	2.1
193.12163	2.6
199.14790	1.6
221.15361	2.8
235.16962	1.5
241.19495	7.2
249.22198	3.0
259.20560	12.7
277.21582	61.2
278.22006	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	277.1797
Annotation	Spirodysin
Peak:m/z	Relative Intensity
53.03941	1.8
55.01867	12.1
55.05511	9.6
57.07071	4.3
60.48420	0.5
65.03935	1.1
65.70308	0.4
67.05500	13.3
69.03415	0.9
69.07066	7.7
71.04972	1.0
71.08625	0.9
79.05486	23.7
81.03422	0.6
81.07050	45.3
83.04977	2.8
83.08614	4.4
85.06534	0.6
91.05472	10.1
93.07036	27.5
95.04959	3.6
95.08600	12.2
97.06513	1.9
97.10159	1.2
99.08099	0.9
105.04490	0.7
105.07018	7.7
107.04961	0.7
107.08587	15.0
109.06516	14.3
109.10155	5.2
111.03711	0.9
111.04432	12.7
111.08049	1.9
117.06995	1.1
119.08570	7.2
121.10136	11.8
121.10907	0.4
122.59163	0.5
123.08076	1.5
123.11678	2.2
125.05981	3.4
125.09559	0.5
131.08548	4.2
133.10118	7.5
135.08040	2.4
135.11678	15.7
137.05966	100.0
137.13205	1.8
138.06319	1.2
142.07771	0.6
143.08554	1.7
145.10094	2.3
147.08034	1.5
147.11668	6.3
149.09630	2.9
149.13237	7.0
151.07561	2.8
151.11223	1.2
157.10107	1.9
159.11705	1.6
161.09587	5.3
161.13246	3.3
163.11243	2.7
163.14812	2.3
165.09116	2.0
165.12743	0.7
166.33823	0.5
167.10640	1.1
171.11714	1.1
173.13298	1.1
175.11172	4.9
175.14790	1.5
177.09119	0.7
177.12685	1.1
179.10670	2.7
181.12187	0.9
185.13202	1.3
189.12744	1.5
193.12257	1.0
195.13811	0.6
199.14890	0.8
203.17918	4.8
213.16304	2.5
219.13684	0.7
221.19077	1.2
231.17413	5.7
235.16899	6.6
241.15936	0.9
241.19417	1.2
247.06172	1.1
249.18420	2.4
259.20584	1.3
263.16519	0.8
277.10663	1.4
277.17984	9.2
277.21600	19.2
289.54227	0.5
295.19119	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.089
Annotation	Unknow
Peak:m/z	Relative Intensity
77.72201	0.4
82.99810	0.3
85.02859	0.3
97.44376	0.3
98.97591	0.3
100.03387	0.3
101.00876	2.2
103.00601	0.5
103.02428	1.1
115.00593	0.4
115.02428	0.3
115.03669	0.6
119.01914	4.1
121.01614	1.8
121.03462	0.4
127.02388	0.5
129.02048	0.3
131.01875	1.0
131.99925	0.4
133.01604	1.1
133.03452	1.0
137.02910	0.4
143.01913	0.6
145.01649	0.4
145.03459	4.7
147.03215	0.9
151.02730	0.3
151.04532	0.5
155.01866	1.2
157.01617	1.2
163.04521	1.1
171.01367	0.6
173.02928	2.6
175.02707	2.3
175.04495	0.8
177.66478	0.3
187.02756	1.0
187.04529	0.5
189.02399	0.9
189.04102	0.3
199.00893	0.3
203.28734	0.3
205.03687	0.4
217.01886	2.9
217.97989	0.3
235.02965	1.5
252.57050	0.3
277.08905	100.0
278.09265	1.1
283.44427	0.3
298.08035	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.1796
Annotation	[6]-Shogaol
Peak:m/z	Relative Intensity
53.03947	1.2
55.01610	0.4
55.01863	10.9
55.05509	5.2
57.07070	1.9
65.03921	0.4
67.05502	6.2
69.03419	0.7
69.07063	4.2
70.07904	0.8
70.08315	0.5
71.08630	0.6
72.60709	0.3
79.05490	9.7
81.07050	41.6
82.07395	0.5
83.04979	2.1
83.08604	1.9
85.06537	0.3
91.05476	4.4
93.07039	6.4
95.04948	1.4
95.08598	6.4
95.24940	0.3
97.06526	1.2
98.20734	0.3
101.09602	0.4
105.03387	0.3
105.07024	3.4
107.04959	0.4
107.08587	4.2
109.06512	15.1
109.10151	2.5
111.04437	12.6
111.05219	0.5
111.08089	0.6
117.07024	0.6
119.08580	4.3
121.10129	4.7
123.08060	1.8
123.11705	1.8
125.05996	3.8
129.07001	0.5
131.08548	1.7
133.10121	4.0
135.08055	2.2
135.11690	4.7
137.05968	100.0
137.13245	1.3
138.06274	1.7
139.07465	0.5
142.07707	0.3
143.08588	1.3
145.10107	1.2
146.07275	0.3
147.08012	1.2
147.11682	5.4
149.02303	0.3
149.09618	2.7
149.13255	2.0
151.07549	2.7
151.11171	1.0
156.09326	0.3
157.10144	1.4
159.11650	0.7
160.08829	0.3
161.09598	5.0
161.13223	1.9
163.07547	0.3
163.11194	2.0
163.14812	0.8
165.09128	1.7
165.12758	0.7
167.10655	0.8
171.11679	0.7
173.13295	0.4
175.11169	4.0
175.14783	0.8
177.06905	0.3
177.09129	0.6
177.12712	0.3
179.10727	1.7
181.12178	0.6
185.13260	0.6
189.12738	1.1
189.16319	0.3
191.14307	0.4
193.12239	1.0
195.13879	0.3
203.14333	0.4
203.17935	3.4
205.19565	0.5
207.13815	0.5
213.16350	1.9
215.79016	0.3
221.18994	1.3
223.14847	0.4
231.17435	5.9
235.16916	0.7
241.15845	1.0
249.18477	3.2
277.10825	0.4
277.17947	5.8
277.21570	3.0
295.18900	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.0683
Annotation	Unknow
Peak:m/z	Relative Intensity
60.99605	1.2
69.03423	1.3
71.52435	1.5
78.66537	0.9
80.31944	1.0
85.02890	1.1
88.75050	0.9
97.02898	2.0
101.00872	7.1
103.00628	8.1
103.02428	3.1
108.15466	1.1
109.38565	0.9
116.98617	1.4
119.01905	15.4
119.03772	1.3
120.01984	1.7
121.01670	28.7
121.02316	1.1
123.03191	1.0
127.02416	1.9
129.02136	1.4
131.01907	4.1
131.52028	1.7
133.01649	2.7
133.03468	1.4
137.02983	2.5
139.02692	8.4
143.01834	2.0
145.01685	1.8
145.03450	14.9
146.03647	1.3
147.03149	9.3
149.01111	1.0
149.02917	1.2
154.01260	1.4
155.01913	4.4
157.01654	3.0
161.02988	3.4
161.04663	7.6
163.02686	2.3
163.04526	2.9
165.04279	3.4
171.01379	2.4
171.03143	1.0
173.01402	1.5
173.02925	8.7
175.01134	1.4
175.02708	3.6
175.04453	1.6
179.05852	1.8
185.02966	1.5
187.02698	2.4
187.04466	1.5
189.02451	2.8
189.04320	6.7
191.02159	5.1
191.82172	1.0
199.00874	1.4
205.03851	3.1
207.05249	1.6
209.03291	2.2
215.02362	1.7
217.01930	13.0
233.03391	3.2
235.03000	3.6
245.04991	1.1
277.02917	5.0
277.08966	100.0
278.09375	1.4
295.03409	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.2003
Annotation	Dicranin
Peak:m/z	Relative Intensity
55.01851	2.0
55.05506	14.6
57.03440	1.8
57.07055	5.2
67.05499	24.4
69.03407	7.3
69.07053	12.9
69.98096	5.1
70.06580	1.8
70.54824	1.4
71.04967	3.2
72.60141	1.6
79.05484	38.2
81.07055	17.8
83.04960	14.6
83.08598	6.7
85.06537	29.7
91.05461	18.3
93.07037	17.6
95.04958	5.1
95.08594	15.4
97.06505	4.6
99.08080	14.0
102.09173	2.2
105.07018	26.0
107.04939	11.6
107.08584	22.7
109.06499	5.2
109.10141	24.9
111.08019	3.1
113.09653	3.0
117.06989	5.5
119.08559	29.5
121.06464	7.4
121.10129	37.2
122.07275	17.7
123.08044	5.7
123.11668	2.6
125.05942	3.0
125.09615	9.9
129.06996	5.0
131.08540	18.8
133.06482	1.7
133.10110	26.2
135.07988	11.0
135.11667	12.0
137.09599	100.0
139.11165	7.6
141.06979	2.1
142.07758	2.4
143.08537	5.4
145.10091	16.9
147.08043	2.9
147.11652	10.5
149.09586	11.8
149.13225	2.5
151.11203	3.4
155.08530	3.0
156.09308	1.9
157.10091	7.0
159.11697	13.6
161.09558	6.1
163.07588	2.0
163.11211	13.7
163.14845	8.0
169.10165	2.1
171.11603	3.6
173.09648	2.4
173.13245	19.4
175.11206	4.5
175.14687	2.1
177.12730	2.7
180.43674	2.1
183.11665	1.6
187.11139	4.1
187.14751	6.0
189.12872	1.9
189.16364	3.2
191.10637	1.9
191.14313	13.4
197.13217	3.4
199.14746	5.2
201.12708	13.0
215.14244	9.0
215.17914	3.8
217.15872	12.7
219.13751	13.6
229.19400	3.5
239.17821	3.7
257.18954	13.2
274.03894	1.8
275.04663	4.1
275.20026	78.3
275.23276	3.0
276.25238	6.3
291.87323	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.0318
Annotation	Unknow
Peak:m/z	Relative Intensity
52.57999	1.2
53.64210	1.5
70.37320	5.1
70.37666	1.2
81.05209	1.3
85.02909	2.0
101.00869	4.4
103.00665	6.6
103.02451	3.3
116.21202	1.3
119.01918	17.2
119.03711	2.3
120.01978	1.9
121.01656	26.0
121.02449	1.7
127.02487	2.0
131.01895	5.2
133.01645	1.8
133.03426	3.1
135.46181	1.5
137.02985	1.8
139.02679	9.0
139.03601	1.4
143.01979	1.4
145.03461	17.1
147.03133	9.9
155.01935	2.8
156.99924	1.7
157.01732	1.6
161.02968	3.2
161.04800	6.2
163.04553	2.3
165.04301	4.4
171.01357	2.6
171.03221	1.8
173.02936	7.4
175.02682	2.5
179.05820	3.2
185.02960	2.1
187.02756	2.8
189.04353	5.4
191.02252	2.1
203.98907	1.4
209.03183	2.8
215.02359	1.3
217.01953	8.3
233.03351	3.8
235.02969	4.2
277.02875	5.1
277.08969	100.0
278.64230	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.2003
Annotation	Cinmethylin
Peak:m/z	Relative Intensity
53.03931	2.9
55.01867	9.3
55.05505	17.8
58.56200	1.3
59.34613	1.4
65.03918	1.5
66.07574	1.2
67.05173	1.9
67.05497	21.8
69.07065	12.1
71.04971	2.4
71.13798	1.1
79.05484	23.0
81.06591	2.6
81.07047	40.0
83.04962	2.9
83.08611	6.6
91.05470	58.9
93.07026	21.1
95.04949	5.2
95.08592	16.0
97.06531	12.2
97.10169	2.2
98.21513	2.8
104.06419	1.1
105.07021	100.0
107.04938	4.5
107.08569	11.7
109.06487	4.1
109.10120	4.4
117.07014	10.8
119.08568	43.1
121.06485	3.3
121.10117	5.8
123.08064	2.4
123.11660	1.8
125.09620	1.9
129.07002	2.4
131.08554	21.2
133.10112	57.2
135.08047	2.0
135.11676	3.7
137.09613	1.6
143.08531	3.0
145.10110	16.2
147.11664	20.8
149.09615	2.4
151.11134	2.0
155.08437	1.3
157.10106	2.1
159.11678	8.2
161.13200	3.0
163.11145	2.8
165.09106	2.2
171.11659	3.1
173.13266	2.1
177.12732	2.3
197.13245	1.3
224.30994	1.5
229.19395	1.5
239.17998	1.6
247.20508	1.9
257.19006	5.6
275.20032	83.2
276.20227	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	275.2004
Annotation	Dicranin
Peak:m/z	Relative Intensity
53.03934	3.9
55.01852	4.3
55.05506	15.9
57.03428	4.3
57.07060	3.1
63.33733	1.5
65.03939	2.2
66.58801	1.6
67.05502	34.4
69.03425	2.2
69.07058	12.7
69.46227	14.9
71.04964	3.7
71.55582	1.5
79.05486	44.7
81.03386	3.7
81.07047	87.8
82.79971	1.5
83.04968	4.9
83.08611	9.3
85.06561	1.8
91.05472	43.0
93.07036	27.8
95.04960	10.7
95.08599	21.8
97.06519	6.9
97.10156	3.0
98.21497	3.4
99.08105	2.6
100.33544	1.8
105.07015	51.4
107.04941	14.1
107.08595	22.6
109.06500	28.8
109.10179	8.6
111.08051	2.3
117.06982	11.2
119.08571	38.6
121.06492	7.8
121.10130	14.5
123.08060	4.0
123.11697	3.8
129.06952	3.5
131.08553	16.1
133.06485	3.2
133.10123	33.5
135.08012	8.9
135.11658	6.9
137.09579	3.7
143.08524	2.5
145.10103	15.1
147.08037	3.0
147.11668	21.1
149.09619	10.2
149.13258	4.0
151.11212	2.0
157.10143	3.5
159.11667	9.4
161.04242	1.8
161.09598	2.4
161.13239	5.6
163.11206	5.0
165.12737	2.3
169.10075	2.7
171.11719	2.7
173.13174	5.0
175.11180	2.2
183.11743	2.2
187.11136	2.4
187.14899	2.7
189.12741	2.2
191.14224	2.9
193.12280	2.9
197.13393	2.8
219.13551	1.7
229.19525	4.1
239.17960	2.5
245.90637	1.9
247.20595	6.3
257.19034	13.4
275.04892	5.3
275.20035	100.0
275.27737	19.3
276.20367	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	275.2004
Annotation	(Z)-Octadec-12-ene-8,10-diynoic acid
Peak:m/z	Relative Intensity
53.03935	2.4
55.01863	3.6
55.05509	13.1
64.24355	1.0
67.05499	21.4
67.60874	1.1
69.07075	9.0
70.97984	1.9
70.98494	0.9
72.73218	1.0
79.05486	23.2
81.07050	21.7
83.04968	2.8
83.08610	6.8
85.06569	1.3
91.05475	33.5
93.06486	2.2
93.07040	27.8
93.07635	1.4
95.04959	3.6
95.08596	15.1
97.06509	6.1
97.10139	3.4
100.79704	0.9
103.05458	1.2
105.07027	47.4
107.04960	2.2
107.08589	20.0
109.06514	4.1
109.10133	8.4
111.08067	2.6
117.07022	12.0
119.08577	36.8
121.06524	2.6
121.10139	11.4
123.08045	2.8
123.11702	2.0
125.09614	1.9
125.81142	1.1
129.06972	3.8
130.07788	1.6
131.08548	16.1
133.06500	2.3
133.10127	35.5
135.08102	5.4
135.11656	6.2
136.30473	1.0
137.09595	4.9
137.73753	1.1
139.11105	1.4
141.06979	1.4
143.08525	3.6
145.10104	18.1
147.08070	1.8
147.11681	15.3
149.09602	16.7
149.13251	1.3
151.11182	4.8
155.08574	2.6
157.10117	4.7
159.11681	10.5
161.09596	2.8
161.13258	5.0
163.11159	9.5
165.12766	3.1
169.10057	3.6
170.94135	1.0
171.11691	3.9
173.09491	1.8
173.13234	5.0
173.40311	1.0
175.11133	1.8
175.14789	1.9
177.12781	2.9
183.11626	2.8
185.13194	1.3
187.11136	1.4
187.14792	1.0
191.14175	1.5
197.13225	3.6
211.14761	2.0
213.16280	1.9
215.14262	1.4
215.17950	2.8
229.19527	4.1
239.17920	13.9
247.20601	2.4
257.18991	17.3
275.20044	100.0
276.20480	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.2003
Annotation	Dicranin
Peak:m/z	Relative Intensity
53.03927	2.5
53.60789	1.1
55.01859	4.2
55.05515	14.8
57.03427	1.8
57.37392	1.3
59.88676	1.0
61.88813	1.2
64.76179	1.2
65.03935	1.6
67.05180	1.7
67.05503	23.1
69.07069	10.1
70.77840	2.2
70.78178	2.3
71.04983	2.7
79.05487	23.9
81.07050	27.5
83.04977	3.3
83.08612	5.6
85.06520	1.7
91.04903	2.1
91.05472	41.8
93.07038	22.5
95.04942	4.0
95.08604	16.7
96.90241	1.1
97.06521	4.5
97.10185	1.8
103.05434	1.8
105.07024	61.2
107.04922	3.9
107.08585	17.0
109.06509	6.7
109.10134	7.8
111.08047	2.2
117.07002	11.8
118.95852	1.1
119.08579	35.1
121.06503	4.4
121.10142	9.9
122.07312	1.1
123.08061	3.5
123.11781	1.4
125.09579	1.4
129.06984	3.7
131.08578	16.3
133.10120	38.6
135.08029	3.3
135.11665	4.4
137.09592	3.8
141.06940	1.3
143.08566	3.1
145.10138	11.3
147.08051	1.7
147.11681	20.2
149.09586	6.6
149.13242	1.6
151.11143	4.5
155.08543	1.9
157.10135	2.5
159.11674	8.3
161.09637	2.0
161.13234	6.5
163.11169	9.7
165.12758	3.2
169.10149	3.6
171.11679	2.4
173.13254	4.1
175.11169	1.5
175.14862	1.5
177.12747	2.0
183.11714	2.4
189.12762	1.4
197.13187	2.4
201.12622	1.2
203.14284	1.2
215.14336	1.5
215.17992	1.7
229.19426	5.1
239.17964	8.8
247.20497	3.3
255.69659	1.3
257.19028	11.4
275.20041	100.0
276.20386	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	275.2004
Annotation	Dicranin
Peak:m/z	Relative Intensity
53.03930	2.2
55.01863	5.9
55.05266	1.1
55.05505	12.5
57.03421	3.0
57.07055	1.2
65.03930	0.8
67.05501	21.4
68.75105	0.6
69.03406	2.4
69.07066	12.6
70.77733	1.7
71.04971	1.5
79.05489	20.0
81.03398	0.7
81.07052	22.0
83.04977	12.9
83.08592	2.9
85.06541	0.8
90.66429	0.6
91.04898	1.2
91.05471	23.9
93.07038	25.7
95.04955	7.1
95.08599	15.5
97.06508	5.4
97.10155	2.2
102.77752	0.6
103.05453	1.5
105.07024	28.4
107.04945	6.4
107.07884	0.8
107.08588	15.3
109.06513	9.5
109.10153	4.9
111.08073	2.7
115.05424	0.8
117.07007	8.4
119.08575	17.3
121.05666	1.0
121.06499	14.3
121.10152	8.3
121.27271	0.6
123.07301	1.0
123.08060	8.0
123.11694	2.1
129.06937	3.2
131.08546	17.6
133.06461	3.4
133.10123	16.3
135.08052	4.9
135.11684	4.2
137.05981	0.9
137.09578	3.0
137.13206	0.8
139.07547	0.7
141.06984	1.0
143.08546	2.6
144.09370	1.0
145.06462	2.9
145.10126	11.2
147.08032	4.0
147.11684	14.6
149.09616	5.4
149.13217	3.6
151.11162	2.5
155.08519	1.8
157.10101	3.0
159.08031	2.7
159.11662	9.2
161.09619	4.7
161.13245	2.9
163.11147	5.5
163.14752	0.8
165.12793	1.2
169.10088	1.5
171.11667	2.1
173.09602	3.0
173.13243	5.7
175.11183	3.5
175.14769	1.5
177.12730	2.2
183.11670	1.8
185.13216	0.8
187.11214	3.2
187.14775	1.0
189.12738	1.0
191.14293	2.8
197.13223	1.8
199.14719	1.3
201.12718	3.1
203.14410	0.7
205.19518	0.9
207.13817	1.9
215.14363	1.9
215.17921	1.6
219.13797	2.3
229.19475	2.9
231.17564	0.9
233.15517	0.7
233.18980	2.0
239.17934	3.3
247.20551	3.2
257.18964	13.5
275.20041	100.0
276.20291	4.0
278.73853	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.2004
Annotation	(Z)-Octadec-12-ene-8,10-diynoic acid
Peak:m/z	Relative Intensity
53.03935	2.4
55.01852	1.4
55.05505	16.7
59.54575	1.2
65.09332	1.2
67.05183	1.4
67.05502	16.6
69.07065	10.4
71.04981	1.8
71.26076	2.4
79.05485	19.6
81.07049	22.8
83.08608	6.4
85.06504	1.8
91.05474	51.3
93.07029	15.2
95.04951	2.7
95.08601	11.3
95.77718	1.0
97.06492	1.4
97.10130	2.8
103.05475	1.7
105.07024	74.7
106.07310	1.5
106.08655	1.3
106.97908	1.1
107.04952	2.0
107.08575	13.4
109.06516	1.9
109.10123	4.8
111.08092	1.1
115.05450	1.5
117.07012	10.7
119.08573	42.6
121.06466	2.3
121.10122	5.1
123.08051	1.6
125.09610	1.6
128.06213	1.0
129.06993	3.0
131.08560	20.2
133.06476	0.9
133.10110	54.2
135.08031	1.4
135.11673	3.2
137.09605	1.4
141.06967	1.8
142.11212	1.1
143.08533	2.8
145.10127	20.4
147.11667	27.6
149.09564	6.9
149.13225	1.6
155.08553	2.5
157.10104	2.1
159.11685	8.4
159.32379	1.1
161.13268	5.6
163.11157	2.2
169.10054	1.6
171.11685	5.3
173.13255	4.4
175.11177	2.1
175.45653	1.0
183.11678	2.8
187.14912	1.3
189.12663	1.6
193.12238	1.4
197.13225	2.5
211.14764	1.3
215.14276	1.1
239.17957	2.5
247.20493	1.5
257.18970	10.8
275.20029	100.0
275.27731	8.7
276.20386	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.2003
Annotation	Dicranin
Peak:m/z	Relative Intensity
53.03938	3.6
55.01860	5.4
55.05505	16.2
57.03425	6.0
65.03931	2.0
67.05501	22.0
69.07062	12.3
69.47773	1.6
69.92205	8.5
71.04966	4.0
79.05061	3.0
79.05489	35.4
81.07049	64.9
83.04951	6.1
83.08595	6.2
91.05478	37.5
93.07034	27.0
95.04967	9.6
95.08598	16.9
97.06516	6.4
105.07021	42.1
107.04935	11.3
107.08579	15.8
109.06514	24.5
109.10143	7.8
111.08082	3.0
117.07027	14.4
119.08575	33.6
121.06468	6.9
121.10123	11.8
123.08053	6.7
123.11690	3.7
129.06996	4.3
131.08575	12.3
133.06488	2.0
133.10124	29.9
135.08040	6.6
135.11667	7.5
137.09596	3.8
143.08527	2.7
145.10123	13.8
147.08147	2.0
147.11656	14.8
149.09612	8.2
149.13280	4.4
151.11139	2.3
157.10069	4.5
159.11667	9.6
161.09659	2.4
161.13272	4.5
163.11154	4.1
163.14801	3.1
173.13252	3.7
175.11174	3.1
183.11615	2.8
187.11168	1.9
193.12207	2.9
229.19489	4.1
239.17984	2.6
247.20517	6.5
257.18997	9.0
275.20056	100.0
276.20493	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.2004
Annotation	(Z)-Octadec-12-ene-8,10-diynoic acid
Peak:m/z	Relative Intensity
51.93313	0.8
53.03933	1.3
55.01846	3.1
55.05270	1.1
55.05504	14.2
57.03407	1.3
57.07051	1.2
66.86571	0.8
67.05496	21.1
69.03408	1.3
69.07063	10.7
70.58430	2.9
70.80909	0.8
71.04967	1.8
79.05483	21.7
79.89236	0.7
81.06593	1.6
81.07044	21.1
81.19650	0.9
83.04954	3.0
83.08613	8.1
83.38574	0.8
85.06551	1.5
91.05466	35.5
93.07034	25.9
95.04967	4.8
95.08595	18.9
97.06509	5.1
97.10143	3.2
99.08048	1.0
103.05434	1.6
105.07018	46.6
107.04924	3.0
107.08573	17.3
109.06516	5.4
109.10137	7.6
111.08038	2.8
115.05388	0.8
117.07008	9.7
119.08565	33.6
121.06485	5.1
121.10126	12.9
123.08030	4.3
123.11658	1.6
125.09593	3.3
129.07019	4.0
130.07761	0.9
131.08546	15.4
133.06482	2.4
133.10110	35.0
135.08038	6.5
135.11662	4.2
137.09596	4.6
139.11151	1.2
139.30270	0.8
141.06979	1.9
143.08507	2.0
145.10104	17.1
146.10625	0.8
147.08043	2.5
147.11656	15.7
149.09599	17.0
149.13167	1.3
151.11157	4.6
155.08533	1.5
157.10069	3.8
159.11684	9.4
161.09576	2.9
161.13240	5.2
163.11169	10.1
164.72198	0.8
165.12747	3.3
169.10107	3.0
171.11700	4.4
173.09656	1.3
173.13231	5.4
175.11186	2.9
175.14830	1.5
177.12721	3.5
183.11665	2.9
185.11388	0.7
185.13251	1.6
187.11095	1.2
187.14719	1.0
189.12660	1.6
191.14273	1.8
197.13268	4.2
201.12761	1.8
211.14842	1.5
213.16220	1.6
215.14354	1.4
215.17960	2.3
219.13823	0.9
229.19458	4.5
233.18895	0.9
239.17926	12.5
247.17142	0.9
247.20557	3.3
257.18982	15.6
257.85150	0.8
275.20029	100.0
275.27713	7.1
276.20386	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	275.2003
Annotation	(Z)-Octadec-12-ene-8,10-diynoic acid
Peak:m/z	Relative Intensity
53.03935	2.2
55.01861	1.9
55.05268	1.3
55.05505	15.9
57.03437	1.0
57.07048	1.2
61.38202	1.0
65.03926	1.7
67.05500	16.8
69.07059	10.3
69.87872	2.2
69.88280	4.0
70.06573	2.8
71.04973	2.0
79.05483	18.9
81.07045	16.2
83.04963	2.7
83.08584	4.7
88.07614	3.2
89.07967	1.1
91.04900	2.1
91.05473	43.8
93.06484	1.5
93.07036	17.0
95.04955	2.1
95.08593	10.5
97.06496	2.3
97.10173	1.5
102.09161	1.2
103.05444	1.7
105.07018	61.6
106.07304	1.2
106.08620	1.8
107.04941	3.5
107.08570	13.3
109.06507	1.7
109.10177	5.9
111.08080	1.5
111.99931	1.3
117.06992	10.0
119.08570	34.1
120.08868	1.0
121.00462	6.9
121.06478	2.6
121.10139	5.2
123.08054	1.5
123.11700	1.2
125.09621	1.1
129.06956	2.3
131.08540	13.5
132.20853	1.0
133.10115	37.2
135.08028	2.8
135.11642	2.4
142.07596	1.2
143.01788	1.8
143.08548	2.4
145.10098	16.4
147.11664	22.2
149.09630	5.4
157.10091	3.2
159.11679	7.4
161.09637	0.9
161.13295	5.1
163.11165	2.7
167.99652	1.1
169.10080	1.7
171.11688	1.8
173.13194	4.4
177.00267	2.8
183.11681	2.4
187.11232	1.2
197.13281	1.9
217.02570	4.5
229.19455	1.7
233.15324	1.1
239.17920	3.3
247.20665	1.5
252.04628	2.1
257.18979	10.1
257.26733	2.1
261.05231	2.7
275.20035	100.0
275.27728	33.5
276.20532	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.1599
Annotation	Unknow
Peak:m/z	Relative Intensity
50.73235	0.5
53.03944	0.9
55.05492	0.6
55.55916	0.6
56.05025	1.7
59.72395	0.5
62.13964	0.6
67.05486	0.7
69.07081	1.2
69.87685	3.2
70.06577	1.8
72.08144	0.7
81.07038	1.1
84.04494	36.0
84.08137	1.6
85.02860	0.7
86.09696	100.0
91.05482	1.3
93.07040	0.7
95.04954	0.6
98.21546	0.7
102.05534	11.8
103.05498	0.7
105.03368	7.6
105.07023	1.0
107.04966	0.9
116.07112	2.8
120.08124	1.7
122.06020	0.9
129.10187	0.8
144.06541	35.6
162.07600	68.4
169.10219	0.8
189.48592	0.6
200.04665	0.7
215.13921	1.6
246.26692	0.6
257.12830	1.0
275.04810	1.2
275.09515	1.3
275.13379	1.2
275.16086	10.2
275.20135	0.8
285.04514	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.2004
Annotation	Dicranin
Peak:m/z	Relative Intensity
53.03937	3.0
55.01860	2.6
55.05502	16.5
57.07068	8.6
60.10519	1.3
67.05498	26.6
69.03426	7.4
69.07061	18.0
69.96284	6.0
71.04958	1.9
71.08618	2.6
79.05479	43.6
81.07043	27.3
83.04967	15.5
83.08608	9.3
83.49500	1.3
85.06533	35.7
85.10160	1.7
91.05470	16.5
93.07025	28.6
95.04945	5.8
95.08592	28.1
97.06536	3.5
97.10161	3.4
98.20844	2.2
99.08076	16.4
105.07013	29.0
106.97662	1.3
107.04935	12.9
107.08573	31.6
109.06474	5.5
109.10132	30.7
111.08048	3.4
113.09641	2.0
115.05463	1.4
115.92970	1.4
117.07006	5.9
119.08559	22.1
121.06469	7.1
121.10123	41.0
122.07273	19.5
123.08036	3.6
123.11690	5.0
125.09624	6.2
129.06964	2.8
131.08556	12.9
133.10088	17.9
135.08032	9.2
135.11673	17.0
137.09596	100.0
137.13206	2.5
139.11156	5.3
142.07651	2.0
143.08516	3.7
145.10114	14.9
146.20486	1.5
147.07999	3.9
147.11671	10.5
147.80769	1.2
149.09549	11.6
149.13245	12.5
151.11197	1.9
151.14873	1.4
151.42009	1.4
155.08543	3.3
157.10089	6.3
159.08020	4.6
159.11676	10.2
161.09590	5.8
161.13226	3.3
163.11171	11.9
163.14813	13.8
169.10091	3.8
171.11665	3.1
173.09546	2.4
173.13229	19.5
175.11145	3.8
175.14818	2.9
177.12703	3.2
177.16388	2.4
183.11610	2.6
187.11212	3.3
187.14819	5.7
189.12708	2.4
191.14272	14.7
197.13200	3.0
199.14774	3.5
201.12706	9.7
202.13695	1.5
205.19398	1.7
213.16240	1.6
215.14240	8.4
215.17892	2.5
217.15865	9.9
219.08109	1.3
219.13783	16.2
229.19440	3.3
239.17804	3.5
257.15106	1.5
257.18973	13.6
275.04846	3.0
275.20023	63.6
275.27231	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	275.0248
Annotation	Unknow
Peak:m/z	Relative Intensity
58.99857	2.4
70.07939	1.9
70.08353	2.4
73.75038	0.7
77.00883	0.8
81.10516	0.7
82.99840	1.6
85.01389	1.1
85.02898	0.9
99.02937	0.8
101.00868	22.5
101.96744	0.7
103.02426	2.5
116.87775	0.8
117.03986	7.3
119.01905	100.0
120.02018	1.7
121.03487	1.5
122.28330	0.7
127.02432	4.9
135.05032	4.5
137.02939	30.8
139.13246	0.7
141.03946	1.3
142.03419	1.8
143.01898	2.3
144.99811	1.5
145.02292	1.3
145.03448	33.9
147.01367	2.2
159.05011	35.9
161.02913	4.3
163.04482	11.1
165.02371	0.9
169.03401	2.5
171.01390	3.5
172.16435	0.7
172.99344	0.9
177.06065	14.1
179.03944	1.4
185.02936	5.2
187.00926	0.9
187.04501	13.5
189.02419	13.3
203.03992	8.1
205.01912	1.3
205.05597	3.6
207.03493	8.3
210.06206	1.1
213.02365	6.6
215.00397	1.0
231.03471	9.4
233.01283	1.9
268.60416	0.8
275.02484	5.4
275.05380	0.8
280.33035	0.8
293.03510	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.11
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	1.2
56.96560	8.1
58.23349	1.0
58.65495	0.9
58.99849	1.6
69.03416	2.7
69.53275	1.4
69.53680	5.9
70.06599	1.2
73.02921	1.3
79.34339	1.0
82.99834	1.9
84.08154	2.2
85.02920	2.7
97.02888	2.3
97.62160	0.9
98.97572	17.3
101.00868	12.6
102.02388	1.0
103.02460	2.5
105.07051	1.1
108.05270	1.0
116.98603	13.0
117.04020	3.6
119.01913	68.5
120.02030	1.0
127.02418	3.3
128.98575	1.1
131.00212	1.2
131.01909	7.5
131.05547	1.5
131.14531	0.9
133.03502	1.5
134.99614	6.2
135.05080	3.2
136.06226	1.2
137.02943	22.4
142.03488	2.2
143.01883	13.6
145.03459	25.3
146.99667	1.2
147.01416	1.5
149.02913	1.3
149.06610	1.8
155.01863	6.0
156.02638	1.4
157.03502	1.6
158.99582	0.9
159.05023	20.9
160.04472	1.3
161.02962	20.9
163.04533	8.3
169.03511	3.3
171.01395	1.3
173.01688	1.3
173.02942	6.2
173.06664	4.2
177.06047	9.9
179.03970	1.4
181.68405	0.9
182.06712	1.4
182.61214	0.9
185.02898	4.9
185.06639	4.8
187.04526	10.8
189.02382	10.4
190.95358	1.2
191.00342	1.2
191.07681	1.3
194.03403	2.5
203.03989	9.6
203.07729	4.0
205.05621	4.2
207.03416	6.2
213.02550	4.1
215.07745	2.2
215.11879	0.9
217.05626	1.4
219.01665	1.0
221.05032	6.2
223.01178	1.5
231.03473	6.6
232.96564	1.5
233.01468	1.6
233.08614	1.1
234.99728	1.1
237.02893	1.3
256.96582	1.2
257.08624	1.6
274.97501	9.6
275.02594	4.4
275.06238	2.5
275.11047	100.0
292.98352	5.6
293.03534	1.4
293.10883	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	275.025
Annotation	Unknow
Peak:m/z	Relative Intensity
58.99862	3.2
62.18510	1.1
62.52084	1.1
68.43272	1.0
70.57344	3.4
77.00922	1.9
82.99855	1.3
101.00876	24.4
103.02438	2.5
117.03983	8.7
119.01916	100.0
120.02042	1.5
120.43766	1.2
121.03485	1.5
122.17904	1.5
127.02425	3.5
135.05043	5.2
137.02950	28.9
141.04016	1.7
142.03555	1.9
143.01900	2.9
145.03459	42.3
147.01425	2.4
159.05025	42.3
161.02986	6.0
163.04521	13.8
169.03453	4.2
171.01407	3.8
177.06082	18.4
179.04039	2.5
185.02937	7.0
187.04498	24.8
189.02448	18.1
191.00334	1.4
194.45955	1.1
203.03998	15.8
205.05540	8.0
207.03485	13.0
213.02422	9.3
215.00378	1.7
221.05089	1.8
231.03517	18.5
233.01439	2.5
249.04539	1.6
259.49780	1.5
275.02432	9.0
293.03500	6.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.0246
Annotation	Unknow
Peak:m/z	Relative Intensity
56.34187	0.7
58.99850	3.2
69.03421	1.1
69.48618	0.7
70.83130	0.7
70.94568	2.6
77.00900	1.3
80.84474	0.7
82.99857	2.8
85.01421	0.9
98.97560	1.0
101.00193	1.2
101.00866	22.5
103.02428	4.2
105.75883	0.8
113.07116	1.8
117.03991	7.0
119.01910	100.0
120.01991	1.1
121.03474	2.4
127.02382	3.6
131.01909	1.1
135.05048	4.7
137.02945	34.6
138.50108	0.8
141.03996	1.6
143.01886	2.3
143.43588	0.7
144.99811	1.1
145.03455	46.1
146.03528	1.0
147.01332	2.0
155.01860	1.3
159.05022	50.9
161.02956	4.8
163.04504	16.3
165.02385	1.0
168.05104	0.8
169.03445	9.6
171.01379	4.3
172.99347	1.1
173.02979	2.2
177.04536	1.2
177.06067	23.3
179.04056	2.1
182.06552	1.2
185.02954	7.5
187.04504	32.8
189.02411	25.4
191.00342	1.8
203.03993	18.8
205.01961	1.9
205.05588	10.3
207.03502	15.2
211.00868	1.2
212.04175	1.0
213.02426	14.3
215.00403	1.7
221.05005	2.4
229.02016	1.9
231.03476	24.0
233.01376	5.0
236.04065	0.8
249.04507	2.9
251.02464	1.7
257.01511	1.2
275.02472	11.9
275.05728	1.4
293.03528	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	274.1761
Annotation	Unknow
Peak:m/z	Relative Intensity
51.75693	3.1
56.05026	4.0
56.96547	3.4
66.51599	2.5
69.07067	3.6
70.06580	9.1
71.52238	4.3
72.08147	4.3
84.04494	71.9
84.08117	4.5
86.09701	90.3
95.06126	3.9
101.07164	7.8
109.02863	2.3
112.08719	6.6
116.07071	6.0
119.01850	2.6
120.08092	2.9
131.11787	5.2
144.06552	100.0
159.27797	2.5
161.09200	98.5
165.90895	2.5
175.97273	2.6
176.34401	2.5
257.15009	8.0
274.10818	5.8
274.17590	15.1
274.27420	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	274.975
Annotation	Unknow
Peak:m/z	Relative Intensity
56.32755	0.7
56.96558	18.7
57.82417	0.6
58.99861	1.6
61.66241	0.6
69.03415	0.9
70.06570	1.9
71.51923	1.3
71.95259	3.5
72.08144	1.1
82.99835	1.0
84.08116	2.0
85.02888	1.9
86.09676	0.9
95.06061	1.2
97.02875	1.6
98.97569	100.0
101.00864	15.7
103.02430	2.8
105.91116	0.7
110.97574	0.7
113.00761	0.8
113.02346	0.7
113.07098	2.5
116.98608	67.2
117.03978	4.5
119.01907	77.7
125.07068	2.3
127.02395	2.2
128.98598	1.6
129.10175	0.7
130.93292	2.1
131.00127	1.4
131.01898	2.0
133.03456	1.4
134.99638	31.2
135.05048	3.2
137.02945	25.8
140.00154	1.9
141.03934	1.2
142.03479	2.2
143.01859	3.2
145.03447	26.0
146.03476	0.7
146.99617	1.6
147.01405	1.3
149.01164	1.2
153.00681	4.4
155.01952	1.4
157.03502	1.0
158.01230	1.4
158.99690	0.9
159.05022	25.0
161.02954	4.7
163.04494	10.4
165.02446	1.3
168.05096	0.6
169.03447	3.1
171.01398	2.5
172.94362	4.1
172.99379	0.8
173.02931	2.4
175.04591	1.0
175.11877	0.7
176.02258	0.7
177.00848	1.5
177.06078	10.3
179.03998	1.0
182.06636	0.9
185.02969	5.1
187.00821	1.0
187.04491	14.0
189.00740	1.2
189.02390	10.9
190.95380	5.1
190.98811	0.7
193.00162	0.9
194.94615	0.9
197.03093	0.8
203.03952	9.5
205.01913	1.3
205.03874	0.9
205.05518	4.8
207.03450	7.3
208.96385	2.4
212.03989	0.9
213.02409	7.4
214.95366	1.6
215.00368	1.4
215.04077	1.3
216.98700	1.4
217.00830	0.8
219.01807	1.7
221.05057	2.3
229.01826	0.7
229.05635	1.0
231.03476	10.1
232.96440	7.1
233.01443	3.0
234.99731	2.4
237.02864	1.8
239.03966	0.8
243.02203	0.7
245.05090	1.3
247.06549	1.4
250.97353	4.4
251.02365	4.7
256.96368	12.4
257.05106	2.2
261.02969	3.3
274.18610	0.8
274.97467	85.5
275.02411	6.5
275.05972	4.1
275.97726	1.0
292.98499	59.3
293.03159	5.7
297.99084	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	273.0754
Annotation	(plusmn)-Naringenin
Peak:m/z	Relative Intensity
50.45759	0.2
50.95352	0.2
53.03932	0.2
55.01849	0.4
55.05513	0.3
57.07048	0.3
65.03931	0.7
66.34663	0.2
67.01850	2.5
67.05496	0.4
67.66280	0.2
68.99776	1.7
69.03417	1.6
69.07051	0.6
70.06596	0.2
70.42848	0.8
79.05478	0.4
81.07043	0.7
82.10825	0.3
83.01318	0.6
86.09648	0.3
91.05464	7.8
93.07043	0.8
95.04951	2.4
95.08587	0.8
97.02868	1.3
100.84226	0.3
105.07024	1.0
107.04950	2.3
107.08570	0.9
109.06499	0.4
109.10117	0.5
111.00784	0.9
111.04369	0.2
116.98542	0.3
117.07022	0.3
119.04924	18.4
119.08595	0.7
119.10237	0.2
120.05266	0.3
121.02832	0.3
121.06503	0.4
121.10129	0.5
123.04404	3.9
123.11698	0.3
125.02345	0.4
126.56406	0.2
127.03920	0.3
131.08545	0.6
133.06462	0.4
133.10074	0.4
135.07953	0.2
135.11691	0.2
142.07646	0.2
143.08542	0.6
145.10121	0.7
147.04387	44.2
147.11662	0.4
148.04744	0.8
151.03906	0.8
153.01802	100.0
154.02190	1.3
155.08524	0.3
156.09273	0.5
157.06526	0.3
157.10112	0.7
160.03926	0.3
161.13226	0.4
163.14780	0.2
169.06400	0.2
171.02882	3.3
171.04271	0.5
171.11652	0.6
179.03360	1.0
181.06471	0.5
182.10835	0.3
183.11755	0.4
189.05431	0.9
189.12810	0.7
197.13177	0.5
199.11150	0.4
211.14728	0.4
213.16423	0.6
231.06610	0.5
255.06517	0.9
255.17372	1.2
273.07529	61.3
273.18536	1.7
273.25781	0.5
274.07861	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	272.1017
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	2.8
54.60683	1.3
55.01873	2.8
55.05510	22.1
56.96562	88.1
57.03430	6.5
57.48473	1.5
60.04516	1.5
61.02916	6.7
69.03427	18.3
69.89698	7.4
70.06590	8.3
71.04997	2.0
71.95248	2.6
72.08154	3.2
73.02905	14.5
73.06550	22.4
74.97613	5.0
81.03413	8.0
84.04503	4.1
84.08139	4.8
84.96025	23.8
85.02896	28.6
86.09715	2.9
87.04455	3.1
90.01510	1.9
91.05428	2.8
92.05869	1.6
97.02882	23.6
98.97575	68.7
99.04453	2.6
100.99143	2.7
101.00910	2.8
102.97038	4.1
107.04940	2.9
109.02894	5.0
110.01279	3.5
110.06036	4.0
110.07097	1.8
110.97583	5.0
115.00708	2.6
116.00281	1.4
116.07130	2.2
116.98611	45.3
117.03919	2.2
119.01847	8.3
119.03593	1.7
120.98079	1.3
124.99112	7.3
125.03608	5.2
127.03925	6.7
128.02298	5.3
128.98581	7.6
129.00305	1.7
129.02182	3.0
130.93294	2.4
131.00182	2.8
131.01862	5.1
133.01694	6.5
133.03400	1.9
134.99657	30.7
135.89705	1.5
137.02919	1.8
137.05968	4.9
138.08260	1.4
140.02304	2.0
142.03438	2.0
143.00159	25.9
143.01854	3.5
144.98097	4.7
145.02716	1.7
145.04979	3.5
146.04082	11.6
146.99605	8.6
147.03304	7.9
147.04337	2.7
149.01146	1.7
149.02925	1.8
152.02345	1.9
153.00713	4.4
155.04639	100.0
155.54794	10.7
158.01268	3.2
158.99637	30.2
161.01218	62.9
161.02858	6.6
161.04706	2.2
162.99164	12.0
163.02756	2.5
164.05165	35.9
164.55379	4.4
165.00664	2.3
165.04396	9.4
166.55460	13.8
167.05624	2.9
168.98112	1.7
170.03375	2.9
170.99606	3.8
172.94377	3.4
173.01221	1.9
173.02859	3.2
173.09335	1.8
175.11855	1.9
175.55963	1.9
176.05135	2.4
176.93806	1.8
177.00706	35.9
177.02223	3.2
177.05484	2.4
179.02269	11.2
181.00221	3.5
181.94037	1.5
182.03305	10.1
183.05135	1.7
184.02850	4.4
186.99156	5.9
188.05244	4.7
189.00696	5.3
189.04318	6.2
189.05872	1.9
190.95338	10.0
191.03902	5.7
191.05702	5.7
191.07404	14.5
191.55884	2.3
191.57536	1.8
192.98714	3.3
195.01811	4.7
197.05746	4.5
200.02341	2.6
200.04350	2.2
205.00192	14.5
206.06250	13.3
206.56505	2.4
207.05473	1.9
208.96420	4.9
212.08060	12.9
212.58258	3.0
218.06189	5.5
218.94910	1.9
219.01825	7.9
223.01234	20.4
227.06746	62.7
227.56900	10.2
231.01753	2.1
232.96486	6.7
237.02742	8.5
241.02219	1.9
246.02931	1.9
248.99246	6.5
249.02783	2.5
249.06403	1.7
250.97560	4.8
266.97421	2.8
267.00275	12.4
272.06735	3.4
272.10144	20.8
272.60324	5.0
290.01920	1.6
290.97150	2.1
291.07486	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	272.0078
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	2.1
56.96563	100.0
57.03437	6.1
59.74015	0.7
61.02921	5.3
65.03932	3.0
67.05496	0.7
69.03431	10.0
70.06595	5.6
71.04974	2.1
71.52043	1.2
71.52404	1.0
71.95261	2.8
72.08125	1.3
72.96034	1.0
73.02922	8.2
74.97617	5.0
77.06080	0.7
81.03412	2.8
84.04501	1.2
84.08146	1.9
84.96027	41.1
85.02898	15.5
85.03381	1.3
86.03211	0.8
86.09688	1.1
87.04495	1.0
91.03934	1.1
92.05000	42.9
93.05807	4.2
94.06559	5.3
95.00771	0.8
97.02893	12.0
98.97582	27.9
99.04472	2.4
100.99141	4.1
101.00862	1.6
101.02353	0.8
102.01513	1.0
102.97062	6.1
109.02911	2.2
110.01286	2.3
110.06036	93.6
110.97562	3.3
112.99138	2.5
113.01794	0.7
115.00689	9.0
115.03943	1.0
116.98615	18.0
117.02052	1.4
118.02829	1.0
119.00198	1.8
119.01833	6.6
120.98048	1.1
122.01186	0.8
122.97563	1.4
124.07622	1.0
124.99107	24.7
125.01758	0.9
126.96994	1.8
127.03928	4.6
128.02341	1.9
128.98590	3.9
131.00166	3.2
131.01817	2.3
133.01717	6.3
133.03459	2.1
134.99652	8.3
140.02272	4.3
140.98564	4.7
143.00154	61.3
144.55457	0.8
144.98091	9.6
145.01570	0.8
145.04973	2.3
146.02313	2.7
146.99614	1.9
147.05060	0.9
149.01207	1.4
149.02762	2.0
151.02803	1.4
152.02324	1.6
152.07051	2.5
153.00735	1.6
153.05771	3.7
155.02817	2.8
158.01228	0.9
158.99643	12.6
161.01213	91.3
161.55673	1.0
162.06329	1.9
162.99147	12.4
166.01770	1.9
168.98068	3.1
169.04362	2.2
170.03369	2.5
170.99626	3.7
173.02806	0.9
174.06349	0.8
175.02861	1.0
177.00690	16.2
178.04916	19.3
179.02275	15.7
179.03809	1.4
181.00179	3.2
182.03348	5.2
184.02875	2.6
186.99130	9.0
188.97127	1.0
189.00664	3.0
189.55737	2.0
191.02191	1.6
191.03870	14.4
191.05573	1.4
191.54039	1.9
195.01767	2.1
200.04385	11.3
201.00743	2.5
202.54686	1.2
205.00206	21.1
206.98134	1.2
209.04971	2.0
211.55048	1.6
213.00629	1.2
219.01733	4.9
223.01245	34.3
230.98215	1.3
231.01695	0.9
237.02818	2.9
241.02345	2.9
243.01886	1.0
248.99185	11.7
254.10188	3.2
261.02856	2.4
263.05994	1.9
267.00226	17.3
267.02930	1.5
272.06781	4.4
272.11212	22.1
272.16055	1.2
279.03973	2.0
281.06116	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.169
Annotation	9,9'-Diapo-10,9'-retro-carotene-9,9'-dione
Peak:m/z	Relative Intensity
55.05508	16.6
55.39546	9.6
56.34632	11.2
61.01064	11.3
67.05510	20.3
71.04996	28.8
71.52961	12.0
79.05480	22.2
81.07043	16.1
85.06457	11.5
85.91737	11.1
88.07627	12.9
91.05453	28.0
93.07045	38.8
95.04897	10.5
95.08616	28.7
105.07009	47.1
107.08572	25.1
109.06520	61.4
109.10133	13.4
117.07067	14.1
119.08559	16.5
129.06989	27.0
131.08572	17.0
133.10083	21.0
135.08046	45.0
141.07018	13.6
142.07713	11.8
143.08527	38.2
144.54840	11.8
145.10094	51.1
149.09604	15.8
153.63536	10.6
155.08487	13.1
156.09390	20.5
157.10023	18.5
159.11633	13.7
165.06976	11.5
169.10083	31.4
171.11682	57.7
178.92628	13.1
180.09453	26.4
181.10071	19.9
183.11581	14.1
185.13187	16.7
195.08897	11.5
195.11682	79.8
195.13203	13.3
198.10246	11.9
209.13197	16.4
211.14838	36.4
213.12743	100.0
229.15907	22.5
251.53316	12.4
253.15889	26.1
271.05923	94.2
271.16937	65.3
271.20523	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	271.1537
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	4.4
55.01865	11.0
55.05508	18.9
57.03434	2.6
67.05498	21.9
69.03416	7.5
69.07069	23.5
70.06560	2.4
70.71773	2.1
71.04993	14.8
71.53164	3.2
79.05493	28.0
81.03413	5.2
81.07047	68.1
83.04966	21.5
83.08606	20.3
85.06524	8.9
91.05479	20.7
93.07037	70.5
95.04964	19.6
95.08600	44.0
97.02808	2.3
97.06522	35.4
99.04441	21.5
101.06106	3.1
105.07024	47.7
107.04946	6.2
107.08593	41.7
109.06500	34.4
109.10108	13.5
111.04459	2.0
111.08083	15.0
113.05992	5.9
115.05431	2.9
117.07026	3.0
119.04964	3.2
119.08581	29.4
121.06493	96.6
121.10117	10.2
123.04410	5.8
123.08062	6.9
123.11691	5.2
124.07578	7.3
125.05980	18.6
127.07521	12.3
129.06981	5.1
131.08531	8.8
133.06487	5.5
133.10124	24.4
135.04385	6.8
135.08041	12.9
135.11681	3.8
137.05949	7.5
137.09590	3.1
139.07523	31.1
141.05475	2.7
142.07782	5.4
143.07040	15.1
143.08553	8.2
145.10091	7.1
147.08022	6.4
147.11679	55.7
148.07573	5.6
149.09578	3.9
149.13214	7.2
151.07596	2.2
151.11142	2.3
153.07011	2.8
155.08514	2.1
156.09373	3.3
157.06519	2.8
157.08583	20.0
157.10101	20.3
159.06482	8.4
159.11691	4.6
161.09592	2.6
161.13240	17.1
163.14821	5.1
165.06981	6.9
165.12743	17.5
166.07832	2.7
171.11621	20.6
173.09601	6.0
173.13226	2.6
175.11150	32.6
181.06377	2.6
181.10127	4.8
182.07190	2.3
183.08051	3.9
189.12717	29.1
193.10632	3.8
193.12236	31.8
199.11176	30.9
207.13754	22.3
209.01675	2.1
211.07527	3.3
211.13251	21.6
215.17972	2.5
217.12230	100.0
235.13249	78.1
243.10110	1.9
253.14302	47.7
271.06000	12.7
271.09915	9.2
271.15152	2.9
271.24194	14.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.1536
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	2.5
55.01862	3.6
55.05510	13.1
56.96548	2.1
57.03422	2.7
57.07051	3.7
63.11082	1.6
64.40851	1.9
67.05489	27.4
69.07058	18.1
71.04972	4.1
71.52805	3.1
73.51991	1.8
73.55511	1.7
79.05487	19.3
80.03755	1.8
81.03405	2.2
81.06596	2.6
81.07050	50.9
83.04972	5.2
83.08606	11.4
85.06541	4.2
88.48740	1.9
90.12316	1.8
91.05475	20.4
93.07037	40.4
95.01311	2.2
95.04958	5.9
95.08592	35.3
97.06511	7.5
97.10173	4.6
98.97617	2.5
99.04440	6.2
101.36077	1.9
103.05454	6.0
105.02502	1.9
105.03337	2.2
105.06396	2.6
105.07028	27.9
107.04964	2.4
107.08575	31.0
109.06500	9.3
109.10158	20.4
117.06994	3.4
119.08592	24.0
121.06490	24.0
121.10130	19.6
123.00795	11.3
123.08041	2.3
123.11703	11.5
127.07494	4.6
129.06950	1.9
131.08580	10.1
133.10138	18.0
135.08051	6.7
135.11700	13.8
139.07526	5.0
141.06920	2.8
142.07787	2.8
143.08528	3.3
145.10095	17.0
147.11681	24.9
149.13210	11.3
151.11159	4.3
153.06924	4.4
157.08650	3.0
157.10100	6.3
159.11671	14.3
161.13245	14.9
163.14803	7.0
165.05676	2.0
165.06940	9.7
165.12825	4.5
168.05684	3.1
169.01326	2.6
171.08034	2.3
171.11661	6.0
173.13248	7.2
175.11163	9.1
175.14786	10.6
177.16429	3.9
181.06500	3.1
181.10034	2.1
183.08063	4.7
183.11594	2.5
185.13231	2.4
187.14816	6.6
189.12775	8.6
189.16402	6.6
193.12238	5.2
197.06012	3.1
199.11208	7.0
201.16426	8.4
207.13838	5.2
211.07562	7.4
215.17894	10.0
217.12207	25.7
229.19455	3.0
235.13237	18.1
239.07101	2.5
253.05042	6.0
253.14163	11.5
253.21750	2.5
271.06009	100.0
271.09546	13.0
271.17136	2.8
271.20850	3.0
271.24182	57.9
272.06326	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	269.2109
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	43.3
55.05503	49.9
57.07068	15.0
58.57907	7.3
62.70058	6.6
67.05495	93.2
69.07063	72.6
71.08635	9.1
71.52731	12.5
72.46252	6.5
79.05482	69.8
80.35342	5.9
80.71741	6.3
81.07044	100.0
83.04963	10.8
83.08598	21.3
91.05463	25.8
92.23376	8.0
93.07031	92.4
95.08607	57.7
97.02865	11.9
97.06515	14.4
97.10156	13.1
99.04432	14.9
105.04626	6.9
105.07040	16.2
107.08582	65.8
109.10146	38.6
121.10143	83.4
123.11698	30.5
133.03462	39.0
135.11691	55.0
139.11179	28.7
148.04752	16.5
149.13217	22.6
149.91397	7.0
151.04532	18.9
156.04959	9.2
157.10123	10.4
161.02997	8.1
173.02887	7.1
173.13216	9.9
175.04482	15.2
205.19510	66.9
215.17923	19.7
217.05423	15.3
233.19009	11.3
251.20084	19.4
269.08282	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	271.0597
Annotation	Baicalein
Peak:m/z	Relative Intensity
67.05480	0.3
68.63038	0.3
68.99769	0.6
69.73006	0.3
70.87606	1.1
81.03374	0.3
81.07069	0.5
85.02853	0.3
93.07034	0.5
95.01319	2.2
95.04919	0.4
99.17786	0.3
103.05450	3.6
105.03387	1.3
123.00778	12.1
125.57878	0.3
141.01819	2.5
141.02808	0.5
141.06953	0.7
151.00235	0.4
155.04886	0.4
161.02414	0.3
167.98322	0.3
169.01300	2.9
169.06416	0.4
183.11633	0.4
197.06075	0.5
225.05400	1.4
229.04976	0.9
253.04959	4.4
256.90039	0.3
271.05978	100.0
272.06345	2.0
283.91547	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.1536
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	6.8
55.01862	7.9
55.05508	20.9
57.03438	2.7
57.07065	3.8
65.03915	2.6
67.05498	30.2
69.03425	16.4
69.07062	23.7
70.06585	5.3
71.04977	21.8
71.52714	3.5
79.05479	30.0
80.33848	1.9
81.03405	8.1
81.07047	64.2
83.04966	27.3
83.08604	18.7
85.02887	4.7
85.06529	8.6
91.05476	25.0
93.07032	79.2
95.04963	20.5
95.08595	55.2
95.09174	3.8
97.02879	4.7
97.06519	41.8
97.10099	2.5
98.97559	2.6
99.04440	38.2
105.04451	2.2
105.07017	48.7
105.07696	3.6
107.04949	4.9
107.08578	34.1
109.02850	10.9
109.06504	36.8
109.10144	10.8
111.08070	15.4
113.06000	8.9
117.06971	3.1
119.04949	5.3
119.08568	32.1
120.59184	2.1
121.06493	100.0
121.10115	13.0
123.04413	7.8
123.08080	7.4
123.11670	5.5
124.53803	2.3
125.05979	18.5
127.03927	18.0
127.07516	11.4
127.11192	2.6
128.06145	2.3
128.86327	2.0
129.06992	5.6
131.08563	5.9
133.06458	4.5
133.10110	21.8
135.04404	7.5
135.08047	13.9
135.11653	8.0
137.05948	4.6
137.09552	2.6
139.07518	26.7
141.05455	4.5
142.07791	6.4
143.07019	10.8
143.08594	10.5
145.10115	9.8
145.38559	2.4
147.08026	5.9
147.11676	54.7
148.12076	2.4
149.09608	4.9
149.13263	5.4
151.07524	2.7
151.11156	4.0
155.08539	3.1
156.09373	3.8
157.08600	19.0
157.10112	17.2
159.06511	21.2
159.11646	2.7
161.06010	4.1
161.09581	3.0
161.13257	16.0
163.11151	2.4
165.06973	5.9
165.12738	18.6
166.07825	3.8
167.08546	3.0
171.11699	19.0
173.09608	4.6
173.13371	2.8
175.09653	2.3
175.11151	39.1
181.10077	5.8
184.08853	3.3
189.12729	29.4
191.14351	2.3
193.12209	38.0
198.14580	2.3
199.08456	2.2
199.11151	28.9
207.13770	23.1
211.13248	20.1
217.12210	95.9
218.12544	3.6
235.13249	68.5
235.20563	2.2
236.13583	2.5
253.14276	44.5
271.06046	4.9
271.10312	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	269.2108
Annotation	Methoprene acid
Peak:m/z	Relative Intensity
52.46628	1.5
55.05488	5.0
57.03410	7.3
57.07062	11.3
67.05497	19.9
68.87662	1.5
68.99767	2.9
69.03416	1.8
69.07064	9.3
70.23714	5.2
71.01325	7.8
71.04979	1.8
71.07500	1.9
71.08613	5.2
73.40010	1.9
75.31540	1.6
79.05471	7.1
81.07050	25.9
83.08620	3.4
85.10146	11.6
91.05469	4.3
93.07056	8.3
95.08590	15.4
96.16129	1.8
97.02852	1.9
97.10152	1.9
99.04428	2.2
105.06994	2.7
107.08557	4.6
109.10110	7.3
113.05943	3.8
113.09595	7.9
121.10095	6.8
123.11662	3.6
131.54558	2.0
133.03455	2.1
138.34337	1.9
139.11105	2.5
141.11852	1.8
141.12744	18.8
149.13254	2.0
155.10646	100.0
223.20549	19.6
234.31750	1.7
251.19986	3.9
269.08005	5.7
269.18542	2.2
269.21094	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.2109
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05493	14.8
57.03412	8.7
57.07059	9.1
60.61731	4.6
67.05497	57.9
69.07047	13.1
69.40643	37.6
71.01340	7.9
71.04977	7.0
71.08619	24.4
72.75654	4.5
76.23124	4.0
79.05503	7.9
81.07047	52.2
81.55049	4.0
83.08606	7.4
91.05448	7.3
93.07030	14.3
95.08601	59.3
98.21491	8.4
99.08077	23.9
100.64956	4.3
105.07033	6.3
107.08589	9.3
109.10146	39.5
119.08569	5.0
121.10150	8.2
123.11701	5.0
127.11185	12.0
131.08586	4.5
133.10085	6.0
135.11696	15.9
141.09087	100.0
149.13159	6.8
153.12669	5.1
161.39165	4.2
189.16527	4.4
192.72075	4.8
223.03415	4.8
234.23962	4.1
249.37447	4.9
251.19974	21.9
269.08029	13.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1743
Annotation	Arteincultone
Peak:m/z	Relative Intensity
55.01853	4.0
55.05508	24.0
56.92305	3.5
57.03435	37.4
57.07072	5.3
67.05501	87.4
69.07065	31.2
71.04996	7.7
71.52636	7.0
75.55048	4.6
79.05498	48.0
81.03385	3.5
81.07055	100.0
83.04989	9.5
83.08612	14.4
85.06541	9.1
91.05487	19.6
93.07040	73.3
95.04957	9.3
95.08603	32.3
97.06517	21.5
97.87006	3.7
105.07026	10.8
107.08588	42.8
109.06518	3.5
111.08075	11.4
113.09615	4.8
117.07008	11.0
119.08537	4.8
121.10127	20.5
123.11662	4.3
123.84897	4.2
131.08522	4.8
133.10092	11.2
135.11673	14.0
147.96254	3.8
149.00723	3.9
149.13266	41.3
159.11708	21.6
177.12733	10.9
187.14790	3.9
195.13731	8.8
241.04912	7.5
269.08026	13.3
269.17401	37.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1745
Annotation	Arteincultone
Peak:m/z	Relative Intensity
53.03936	7.9
55.05503	27.5
55.68275	3.2
57.03430	40.7
57.07063	8.6
67.05499	86.4
69.07062	39.2
70.05671	3.7
71.04996	5.2
71.52276	3.9
71.52734	5.5
79.05488	49.4
81.06586	6.8
81.07048	100.0
81.07524	6.2
83.04953	13.1
83.08609	26.3
85.06528	8.7
91.05477	33.5
93.07034	64.8
95.04926	6.9
95.08589	33.0
97.06512	14.2
98.97566	4.2
105.07018	13.9
107.08570	35.3
109.06521	7.8
109.10138	10.6
111.08073	9.1
117.06974	8.1
119.08552	11.4
121.06516	4.0
121.10107	20.8
123.11738	4.9
131.08546	16.1
133.10130	18.5
135.11665	14.5
149.13257	44.1
157.10182	6.0
159.11652	18.5
160.89328	3.5
177.12718	7.6
191.36203	3.6
195.13776	16.2
199.14790	4.0
253.91556	3.8
269.08029	15.2
269.11423	5.0
269.17270	31.9
269.22495	7.8
284.86481	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	268.1038
Annotation	Adenosine
Peak:m/z	Relative Intensity
55.01865	0.4
56.96563	0.1
57.03431	0.6
61.02922	0.1
64.60384	0.1
69.03416	0.4
69.28477	0.0
71.01286	0.1
71.01619	0.1
73.02917	0.3
85.02885	0.5
87.04443	0.1
88.07620	0.1
94.04055	0.4
95.06068	0.1
97.02911	0.3
98.97556	0.1
106.08662	0.2
115.03900	0.1
119.01913	0.1
119.03542	0.8
131.01866	0.2
133.03502	0.1
133.04936	0.2
136.06169	100.0
137.04620	0.5
137.06641	0.5
154.07249	0.1
163.00940	0.1
164.93433	0.1
173.00307	0.1
186.54802	0.1
214.22409	0.1
230.50424	0.1
268.10382	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	268.1038
Annotation	Adenosine
Peak:m/z	Relative Intensity
53.06047	0.2
57.03425	0.5
68.13768	0.2
69.03395	0.2
70.77402	0.5
70.77751	0.4
75.89966	0.2
78.94670	0.2
85.02922	0.4
94.04018	0.4
94.91199	0.2
111.58423	0.2
119.03557	1.0
136.06168	100.0
137.04576	0.5
137.06570	0.3
141.37294	0.2
150.93948	0.2
167.97861	0.2
255.43117	0.2
268.10382	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	269.1382
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	8.2
55.01880	9.7
55.05507	18.4
57.07074	11.5
67.05506	64.8
69.03426	16.9
69.07064	40.8
69.60941	56.3
71.05002	15.1
79.05484	42.8
81.07056	100.0
83.04972	20.1
83.08624	10.8
85.06541	19.2
86.09716	9.1
91.05472	36.7
93.07040	68.3
95.04963	29.2
95.08591	50.6
97.06516	33.5
98.21429	11.2
98.30219	6.9
98.97556	10.5
99.04459	14.6
105.07018	56.8
107.04987	11.4
107.08591	59.4
109.06525	30.2
109.10152	27.6
109.36855	6.6
113.05993	7.8
114.96480	6.5
117.07054	12.1
119.04887	8.4
119.08586	26.0
121.06510	17.3
121.10142	34.1
123.08090	13.0
123.11720	9.8
125.06005	23.8
127.36517	7.9
129.07001	8.8
131.08551	34.8
133.10094	15.7
135.11685	24.0
137.05922	7.2
137.13341	8.8
139.00233	8.1
141.09148	6.6
143.07076	7.7
143.08582	20.5
144.09422	9.9
145.10120	75.0
147.11674	15.6
149.13213	9.2
151.07564	12.0
153.08971	9.1
155.08525	8.3
156.09351	10.1
157.10155	28.7
158.07211	7.4
159.11711	43.8
163.11166	64.5
169.10153	12.3
171.11760	8.5
171.21581	7.7
173.09598	28.2
173.13268	16.9
180.81424	7.4
181.12306	10.4
185.13187	10.5
187.11232	30.8
191.10670	22.2
197.09717	11.9
199.14742	15.6
205.12231	26.8
205.15739	8.0
209.11575	10.7
213.16412	25.9
215.10701	38.6
233.11719	20.1
233.15361	8.7
251.12825	17.6
251.20076	10.3
269.08084	30.8
269.22662	84.6
270.05148	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	267.086
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02375	0.5
51.33653	0.3
53.03939	2.9
57.03429	0.5
61.02923	3.0
69.03423	5.0
70.97052	0.8
73.74868	0.3
77.03921	0.9
78.22730	0.3
79.05484	1.0
81.03411	1.2
85.02898	1.0
95.04955	4.8
97.02872	2.5
99.04430	0.5
105.03381	100.0
106.03738	0.5
109.02856	0.8
112.40734	0.3
123.04423	1.4
127.03896	4.8
145.04942	0.5
169.32742	0.3
169.59596	0.5
170.39352	0.3
189.05473	0.7
249.07581	0.5
252.96100	0.4
267.08685	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.0862
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02372	0.6
53.03939	5.5
55.01854	0.7
57.03434	0.8
58.11670	0.5
61.02912	1.3
69.03427	10.2
69.13383	0.5
70.50777	1.0
70.51174	1.2
71.04977	1.2
77.03910	1.4
79.05494	4.3
81.03410	8.9
85.02904	9.1
95.04963	7.8
97.02882	9.1
97.78117	0.5
99.04446	2.1
103.55164	0.5
105.03384	100.0
106.03698	0.8
109.02863	3.1
120.08128	0.9
123.04424	5.7
127.03923	2.5
145.04944	1.2
249.07549	1.6
250.21953	0.5
267.08661	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	267.1951
Annotation	Juvenile hormone II acid
Peak:m/z	Relative Intensity
53.03928	5.7
55.01854	15.3
55.05505	80.7
57.03423	8.6
57.07068	26.3
67.05486	36.9
69.07047	20.6
69.72511	5.2
71.04987	9.1
71.52730	8.3
79.05491	25.3
81.03399	13.9
81.07044	26.2
83.04985	9.6
83.08607	100.0
85.06522	17.2
91.05465	39.1
93.07035	30.0
95.04948	13.9
95.08597	46.8
97.06553	4.9
99.93150	4.9
105.07001	12.5
107.08580	15.2
109.06555	8.4
109.10157	16.7
109.12380	4.6
111.08094	25.3
113.09684	4.5
119.08569	30.0
121.10101	31.9
123.08047	24.9
129.09071	6.1
133.10123	10.3
136.06157	15.2
137.09590	36.1
139.11150	13.2
147.08006	8.1
147.11627	9.6
149.09601	7.5
151.11208	5.2
165.12717	5.6
182.65633	4.8
193.12321	5.5
249.18457	42.9
267.16614	6.7
267.19504	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	266.0358
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04960	0.1
58.40003	0.1
65.19299	0.1
65.31899	0.1
70.21459	0.3
82.99891	0.2
86.75500	0.1
101.00864	1.8
101.01491	0.1
119.01911	11.6
120.02026	0.3
121.01640	0.1
122.97859	0.2
134.99895	0.8
137.02948	4.4
140.98862	0.2
142.03505	0.4
153.00916	0.5
158.99847	1.2
164.02998	0.1
164.98849	0.1
165.99620	0.2
173.55379	0.1
175.03043	0.2
176.02702	0.1
177.00938	26.1
178.01028	1.0
179.01013	0.2
182.99797	0.6
183.01219	0.1
193.04051	0.5
195.02020	0.6
199.03029	0.1
200.02550	0.6
201.00935	1.4
201.02481	0.3
217.04060	3.7
218.03583	0.2
219.01987	28.9
219.94450	0.2
220.02121	1.6
221.01862	0.5
225.00839	2.4
226.01067	0.1
227.99655	0.2
234.00601	0.1
237.95540	0.2
240.05608	0.1
242.03555	0.9
242.96240	0.2
243.01942	8.3
244.02171	0.4
244.14665	0.1
260.04663	0.3
261.03040	100.0
262.03171	3.5
263.03464	0.4
266.03540	0.8
266.06094	0.1
275.04514	0.3
284.04651	5.8
285.04883	0.4
289.06107	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	266.0359
Annotation	Unknow
Peak:m/z	Relative Intensity
54.02900	0.3
55.01849	0.4
56.05010	0.5
56.96566	2.6
57.03421	0.8
60.95848	0.3
61.01131	0.4
61.02895	0.5
69.03419	1.5
70.06589	1.4
71.51979	0.4
72.08143	1.6
72.50518	0.3
73.02906	0.8
76.93891	0.3
81.03424	0.5
84.04492	0.5
84.08145	2.0
85.02892	1.5
86.09670	1.0
91.05481	0.6
97.02861	1.0
98.97568	1.9
100.03941	0.4
101.00878	2.3
103.00619	0.5
106.91077	0.3
107.04951	0.4
111.04369	0.3
115.00640	0.3
116.98615	1.6
118.01170	0.6
119.01905	12.0
120.01979	0.7
120.67675	0.3
121.01649	2.1
122.07134	1.3
123.05552	3.0
123.07477	0.8
127.03886	0.6
128.98604	0.3
129.10228	0.7
131.01900	1.0
133.01640	1.0
134.02022	0.5
134.05965	0.3
134.99686	1.5
136.06158	0.6
137.02951	4.1
142.03487	0.4
143.01947	0.5
144.04764	3.7
145.01653	0.8
145.03389	0.5
145.05115	0.4
146.99660	0.5
150.05385	0.3
151.02711	0.3
151.07561	0.6
153.00818	0.7
155.01869	0.9
157.03404	0.5
158.99838	1.4
159.03250	0.4
161.02962	0.7
162.03044	1.0
163.02649	3.0
164.00388	0.6
164.03024	2.0
173.02983	0.6
175.02835	0.9
176.03065	0.9
177.00935	22.9
178.00990	0.8
182.99661	0.5
185.02887	0.8
191.02361	0.3
193.03914	0.5
194.04158	0.8
195.01952	0.4
200.02637	0.6
201.00833	1.6
201.02510	0.7
201.04190	0.4
205.03741	0.5
206.01271	0.4
206.04155	0.7
216.98640	0.4
217.04027	3.3
219.01984	27.2
220.02003	1.4
225.00826	2.0
237.02855	0.7
242.03470	0.5
243.01923	8.9
261.03043	100.0
262.03229	3.6
266.03528	1.8
266.06296	1.4
266.09528	0.4
275.04767	0.4
284.04584	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	265.2523
Annotation	Linolenyl alcohol
Peak:m/z	Relative Intensity
53.03934	3.5
55.01865	6.5
55.05506	66.1
57.03422	3.1
57.07068	26.8
60.00856	0.7
65.03934	2.6
67.05499	92.7
69.07062	87.5
69.69447	0.8
71.01373	1.1
71.04988	5.2
71.08624	14.7
71.26482	1.3
75.91462	0.7
77.03920	0.8
79.05484	39.2
81.07047	98.0
82.95885	0.8
83.04981	5.0
83.08611	57.9
85.06532	7.2
85.10173	8.2
87.08110	1.0
91.05469	9.0
93.07034	45.0
95.04967	3.3
95.08598	100.0
96.08930	1.0
97.06525	22.2
97.10160	39.9
99.08060	4.1
105.04483	1.0
105.06994	3.9
107.08582	31.7
108.37875	0.9
109.06525	1.1
109.10144	46.1
111.08058	13.8
111.11713	16.2
113.05969	1.1
113.09641	4.5
119.08549	4.2
121.10130	61.0
123.11692	16.5
125.09643	8.7
125.13270	2.4
126.09080	0.8
131.08575	3.0
133.10152	2.5
135.08032	0.8
135.11676	44.7
137.13263	6.3
139.11160	5.2
141.12735	1.4
143.14305	1.6
145.10124	1.4
147.11685	2.3
149.09653	1.4
149.13249	17.0
149.14386	1.2
151.14842	6.7
153.12778	1.8
155.10625	8.1
155.14320	0.9
159.11626	1.8
163.14813	6.8
165.12737	1.5
165.16388	5.6
169.15895	1.4
173.13266	1.1
177.12737	0.9
177.16380	3.6
179.17885	1.1
181.12161	0.8
181.15855	1.0
184.03136	0.8
191.17896	4.3
205.19525	1.0
219.21060	1.8
229.19536	0.8
235.89107	0.8
237.22160	1.0
247.20468	2.1
247.24193	38.2
265.21689	14.7
265.25256	89.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.1797
Annotation	Speciosin K
Peak:m/z	Relative Intensity
55.01842	1.5
55.05503	4.4
57.07059	3.4
62.20639	1.3
63.86311	1.7
65.79047	1.4
67.05506	7.1
69.07059	7.2
70.75000	4.6
71.04995	1.5
71.08632	1.9
79.05485	6.3
81.07051	9.0
83.04970	2.2
91.05472	6.4
93.07031	11.1
95.04956	4.5
95.08585	7.3
105.07027	11.8
107.04971	1.9
107.08615	8.7
109.10148	4.3
111.04438	1.7
115.05490	1.8
117.07021	11.1
119.08569	11.6
121.06467	3.1
121.10108	3.7
122.07148	1.9
123.11697	2.4
124.13236	1.3
125.05987	1.9
129.83369	1.3
130.07755	4.6
131.04808	1.5
131.08560	12.7
133.10126	6.2
135.08044	4.6
135.11626	3.6
137.09607	2.2
141.06932	1.4
143.08549	2.4
144.09358	2.6
144.73755	1.7
145.06497	2.8
145.10104	49.6
147.08066	1.7
147.11668	4.6
149.05946	2.2
149.07143	1.5
149.09636	2.7
157.10115	2.0
159.11688	33.6
161.09583	1.8
161.13330	2.4
163.11177	8.4
173.09607	2.2
173.13263	4.0
177.09003	2.6
177.12769	1.4
187.11116	1.7
190.06516	1.9
191.10631	13.2
197.04861	1.5
201.16356	23.0
205.12253	6.8
205.15855	1.8
209.11783	1.6
219.13866	1.9
219.17491	6.2
229.15977	2.3
247.16911	100.0
248.17305	1.8
265.18051	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	265.2161
Annotation	Farnesyl acetate
Peak:m/z	Relative Intensity
55.01859	2.0
55.05509	11.2
56.96547	1.7
57.07068	6.3
67.05500	97.6
69.06773	1.1
69.07065	11.1
70.39337	2.6
70.39734	2.9
71.04971	1.5
79.05501	11.9
80.68309	1.3
81.07050	100.0
83.04951	1.8
83.08605	5.0
85.06532	2.8
87.04443	1.3
87.09553	1.2
91.05466	2.0
93.07047	11.1
93.44556	1.2
95.08601	83.6
97.06546	2.4
97.10157	3.1
98.97533	1.5
99.08071	1.5
105.07018	3.6
107.04935	2.0
107.08577	10.6
109.06512	1.9
109.10147	68.5
111.11682	1.4
119.08598	2.8
121.10139	9.3
123.08024	1.7
123.11707	27.2
128.32135	1.3
129.95149	1.2
131.08524	2.8
133.10088	2.2
135.08032	1.7
135.11676	4.0
137.13271	7.8
145.10046	3.8
147.11780	1.5
147.97470	1.3
149.09572	2.0
149.13281	3.8
163.11232	1.4
173.13234	3.8
177.12793	1.8
181.12184	2.8
195.13840	3.3
209.11606	1.6
209.15422	3.0
223.16899	1.8
229.19470	1.5
241.11314	1.7
247.20557	5.2
265.18399	2.1
265.21619	60.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.216
Annotation	Farnesyl acetate
Peak:m/z	Relative Intensity
55.01868	7.0
55.05503	26.7
57.07069	60.8
63.60092	3.6
64.39894	4.3
67.05499	95.2
69.07061	38.3
71.08622	3.5
71.16642	6.7
71.16965	5.9
79.05492	35.2
81.07047	100.0
81.62727	3.5
83.04987	3.8
83.08597	17.4
85.06540	18.3
88.43744	4.2
91.05466	13.8
93.07030	47.8
95.04957	6.2
95.08600	64.8
97.06524	8.8
97.10148	9.1
99.08055	5.4
105.07024	11.0
107.08613	25.1
109.10142	48.7
113.50186	3.8
116.56525	3.4
117.06963	4.1
119.08562	9.3
121.06561	6.0
121.10145	23.7
122.07164	4.4
123.08040	8.4
123.11687	21.6
127.11202	18.3
131.08551	9.1
135.11618	18.3
137.13246	9.8
139.11174	9.7
145.10074	6.4
147.11664	11.1
149.09656	6.5
149.13251	9.7
159.11710	7.5
163.14807	4.5
165.12718	6.1
169.12206	22.1
173.13248	8.1
195.13768	3.8
209.15448	4.8
219.21217	6.1
223.16885	6.5
229.19649	4.4
247.20558	10.4
249.12140	5.6
265.15298	30.4
265.17932	9.3
265.21613	54.3
265.24747	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	265.1545
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.5
53.24977	0.2
55.05506	11.7
56.05019	0.9
57.05806	1.4
67.05472	0.3
69.03410	0.5
69.07054	0.3
70.06575	1.1
70.91926	0.6
72.08147	100.0
73.08467	0.5
79.05481	0.3
81.07033	0.3
84.08153	0.6
86.09704	1.7
91.05470	0.4
93.07059	0.6
95.05001	0.3
95.08643	0.4
97.02892	0.4
103.05460	0.8
105.03400	1.2
109.02876	0.3
109.10124	0.3
117.03362	0.6
120.08089	14.2
121.02891	0.6
122.07163	0.6
122.39188	0.3
123.04465	0.2
123.07954	0.4
129.10263	0.4
131.04926	0.4
131.08583	0.4
133.10132	0.3
136.06180	0.8
136.07576	0.3
141.96333	0.3
145.02806	1.8
149.05989	0.7
161.05995	0.3
166.08621	10.2
177.05453	3.3
219.14995	0.7
232.87149	0.3
247.14511	0.4
248.12846	0.4
265.11295	0.9
265.15479	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	265.1545
Annotation	Val Phe
Peak:m/z	Relative Intensity
53.03936	0.5
53.24977	0.2
55.05506	11.7
56.05019	0.9
57.05806	1.4
67.05472	0.3
69.03410	0.5
69.07054	0.3
70.06575	1.1
70.91926	0.6
72.08147	100.0
73.08467	0.5
79.05481	0.3
81.07033	0.3
84.08153	0.6
86.09704	1.7
91.05470	0.4
93.07059	0.6
95.05001	0.3
95.08643	0.4
97.02892	0.4
103.05460	0.8
105.03400	1.2
109.02876	0.3
109.10124	0.3
117.03362	0.6
120.08089	14.2
121.02891	0.6
122.07163	0.6
122.39188	0.3
123.04465	0.2
123.07954	0.4
129.10263	0.4
131.04926	0.4
131.08583	0.4
133.10132	0.3
136.06180	0.8
136.07576	0.3
141.96333	0.3
145.02806	1.8
149.05989	0.7
161.05995	0.3
166.08621	10.2
177.05453	3.3
219.14995	0.7
232.87149	0.3
247.14511	0.4
248.12846	0.4
265.11295	0.9
265.15479	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	265.1795
Annotation	Quadrangulin A
Peak:m/z	Relative Intensity
55.01857	3.5
55.05505	2.9
57.07059	1.5
57.61969	1.5
61.26618	1.3
67.05484	4.7
69.03452	1.7
69.07054	4.6
70.06587	1.3
70.68513	3.0
71.04987	100.0
71.08628	2.0
79.05486	4.3
81.07053	7.1
83.04964	2.1
83.08570	1.4
91.05472	5.8
93.07040	10.0
95.04977	2.4
95.08592	5.6
97.06554	1.9
99.04446	53.9
105.07014	4.6
107.08593	13.9
109.06499	3.8
109.10142	4.1
117.05477	4.4
119.08569	3.8
121.06493	2.3
121.10146	5.0
122.07159	5.7
123.08044	2.9
123.11753	1.8
131.08554	3.0
135.08032	5.2
135.11690	3.4
145.06448	1.9
145.10103	7.0
149.09653	2.4
149.13252	3.1
154.04910	1.4
159.08081	1.9
159.11734	4.3
161.13058	1.6
161.49484	1.3
176.91928	1.6
177.09102	1.8
178.93207	1.3
179.14386	1.9
187.14780	2.8
191.10683	3.5
201.16312	2.7
205.15866	17.5
211.26347	1.4
247.16893	11.7
265.15625	1.5
265.17953	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	265.1066
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	8.8
55.05504	10.2
55.41322	4.8
56.96550	5.1
58.46204	4.4
67.05504	13.0
67.11689	3.9
67.60194	4.3
69.03423	15.1
69.07062	13.2
70.06590	8.0
70.78012	10.2
70.78387	8.7
72.08157	12.5
79.05491	17.6
81.03417	10.8
81.07058	23.1
83.04958	12.7
86.09713	16.5
91.05470	25.8
93.07026	28.1
94.75875	4.6
95.04980	12.3
95.08609	14.3
97.06534	8.2
98.97582	8.2
103.05453	11.8
105.07027	24.6
107.04937	8.2
107.08584	11.7
109.02831	5.3
109.06506	7.3
109.10147	8.1
111.04477	5.2
115.05457	26.7
116.98581	6.0
117.07008	47.7
119.08562	15.5
120.04454	9.8
120.08062	7.4
121.02859	12.9
121.06515	9.2
121.10153	9.5
122.07186	10.2
123.08045	7.0
127.03864	5.1
129.07030	11.3
131.04962	7.3
131.08562	17.6
133.06456	4.8
133.10146	9.6
135.08022	5.5
135.11679	11.3
139.07571	5.6
143.08495	5.6
145.06473	87.9
145.10158	16.2
147.08022	7.6
149.09624	12.8
155.06058	10.9
156.05678	18.8
157.06471	5.4
157.94290	4.7
159.08084	11.5
159.11638	12.2
161.06030	9.8
161.09532	6.1
163.07437	4.9
163.11176	5.5
173.05966	100.0
173.09583	4.1
175.07518	7.8
187.07545	15.0
187.11121	5.4
190.06219	45.6
191.07025	9.0
195.00597	4.3
202.06349	5.0
203.07103	15.0
205.06622	8.4
205.08562	78.1
205.76912	4.7
217.08557	58.4
222.08455	4.9
235.09779	8.3
244.84999	4.7
247.16953	8.7
256.07809	12.4
265.08496	6.5
265.10910	6.6
265.14401	9.6
265.18024	15.0
265.25150	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.2368
Annotation	Farnesyl acetone
Peak:m/z	Relative Intensity
50.57216	1.9
53.03939	2.4
55.05505	19.1
55.87773	2.1
57.07063	9.2
59.62889	1.9
65.03948	3.1
67.05499	88.7
68.05191	2.1
69.07057	18.6
69.88891	11.0
71.04982	3.6
71.08611	5.5
79.05485	22.5
80.62412	1.8
81.07050	100.0
83.08608	18.4
85.06533	4.3
85.10158	3.8
91.05464	19.6
93.07037	23.4
95.04984	2.5
95.08600	87.6
96.36008	1.8
97.06512	8.4
97.10145	8.4
99.08088	4.5
105.07011	13.2
107.08578	14.8
109.10152	46.2
111.08080	6.1
113.09625	3.5
119.08582	12.0
121.10148	14.9
123.11689	17.6
133.10129	16.2
135.11685	11.4
137.09651	3.7
137.13242	6.6
147.11655	9.4
149.13263	7.6
151.11214	2.6
151.14783	6.0
155.14348	2.0
155.67406	1.9
159.62852	1.8
161.13257	12.1
163.14816	6.3
165.16383	9.3
175.14836	6.0
176.94225	1.7
177.16449	3.5
179.17902	2.6
189.16348	3.4
201.22377	1.9
203.18121	2.6
245.22649	29.4
263.08154	5.3
263.23682	58.4
264.23782	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	265.1068
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	2.1
53.83530	2.0
54.48649	2.4
55.01863	3.1
55.05500	3.2
67.05496	3.9
69.03426	5.1
69.07078	4.9
69.54885	15.7
79.05494	7.2
80.65710	2.2
81.03426	5.9
81.07059	4.0
85.02900	4.4
86.09723	2.6
91.05464	12.9
93.07040	6.2
95.04964	3.0
95.08585	5.2
98.97566	4.2
103.05466	6.7
105.03370	2.7
105.07024	6.7
107.04958	5.8
107.08616	3.0
109.06437	2.1
115.05439	27.8
117.07009	42.9
119.08593	4.4
121.02889	4.9
121.10100	3.6
122.07140	3.4
128.06183	6.8
129.07011	8.6
131.04970	4.1
131.08562	7.5
132.05753	3.4
135.11674	2.6
141.06935	3.6
144.05672	3.5
145.06474	80.6
146.05991	3.0
147.04297	3.6
147.07942	5.3
155.06024	12.0
156.05708	18.7
157.06454	3.9
159.08026	8.1
159.09290	2.3
160.05222	2.3
161.05965	6.0
167.07028	4.2
172.05070	2.2
173.05984	100.0
174.06427	2.6
175.07521	3.8
182.03372	2.2
187.07605	9.8
190.06244	38.2
191.06964	3.1
202.06216	5.4
203.07011	18.4
205.08580	76.5
213.07724	2.8
217.08592	50.3
218.09373	2.1
219.10182	4.2
235.09563	5.3
247.09645	6.1
256.07883	4.0
265.10614	7.1
265.17953	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.2367
Annotation	Farnesyl acetone
Peak:m/z	Relative Intensity
53.03929	1.2
55.01835	1.2
55.05508	15.5
57.03423	2.2
57.06826	1.0
57.07072	12.2
63.22942	0.7
65.03903	2.1
66.52159	0.7
67.05497	89.1
69.07060	16.0
69.35979	7.2
71.04975	2.0
71.08626	5.5
72.67769	0.8
75.94435	0.9
76.94302	0.7
79.05018	0.9
79.05482	24.5
81.07046	100.0
83.04966	1.4
83.08604	15.6
85.06536	4.7
85.10160	2.7
91.05473	18.0
93.07032	24.6
95.04942	2.2
95.08598	84.9
97.06528	6.7
97.10165	6.1
99.08075	6.0
105.07027	12.8
107.08575	13.8
109.06499	1.8
109.10146	45.4
111.08057	5.0
111.11739	1.2
113.09655	2.0
117.07024	0.8
119.08574	12.7
121.10141	16.9
123.08057	2.8
123.11692	17.1
125.09567	1.8
127.11144	1.5
133.10121	15.4
135.11673	8.7
137.09612	3.0
137.13231	6.7
141.12720	1.7
147.11684	7.8
149.13223	8.5
151.11316	0.8
151.14790	7.9
155.14268	1.1
161.13235	11.6
163.14812	6.2
165.16379	7.5
167.14374	1.1
175.14764	7.2
177.16397	1.5
179.14183	1.3
179.17924	4.2
181.15805	0.9
189.16336	2.8
203.17958	0.9
217.19484	1.0
245.22635	29.8
248.12485	1.0
263.08160	1.4
263.14703	12.1
263.23672	57.3
264.24014	1.6
270.49759	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.2368
Annotation	Farnesyl acetone
Peak:m/z	Relative Intensity
50.30478	1.4
52.79903	1.3
53.03944	3.1
55.05511	17.5
57.07065	11.7
59.28627	1.6
65.03926	1.8
67.05500	84.7
69.07068	14.8
69.94777	8.6
71.08625	6.9
77.03915	1.3
79.05489	21.2
81.07050	100.0
83.08603	14.7
85.06539	5.3
85.10158	3.6
88.44478	1.7
91.05473	18.9
93.07037	23.1
95.08602	85.6
97.06512	5.8
97.10156	5.6
99.08070	4.5
105.07031	12.0
107.08572	14.4
109.10152	45.5
111.08083	4.3
111.11766	1.6
113.09618	4.4
119.08574	12.8
121.10136	15.6
123.08064	2.3
123.11696	19.5
127.11204	1.6
133.10112	14.6
135.11685	6.5
137.09607	2.5
137.13229	8.4
147.11694	9.2
149.13235	11.1
151.14819	6.3
161.13249	11.5
163.14822	7.9
165.16396	10.5
175.14836	8.9
177.16380	1.7
179.17940	5.1
189.16360	3.5
245.22609	29.6
263.23694	57.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.2366
Annotation	Farnesyl acetone
Peak:m/z	Relative Intensity
53.03925	2.7
55.01847	1.3
55.05510	14.2
57.03427	1.9
57.07069	11.3
61.39875	1.1
64.66846	1.1
65.03924	3.2
66.80185	1.1
67.05499	84.3
69.07063	17.9
71.04997	3.1
71.08613	8.7
71.10422	2.9
71.10761	2.2
76.95126	1.2
77.76113	1.2
79.05482	26.5
80.05812	3.0
81.07048	100.0
82.07380	2.6
83.04936	1.8
83.08604	12.2
85.06535	6.0
85.10171	3.1
90.09099	1.4
91.05468	17.5
93.07035	23.5
94.07344	2.2
95.04948	3.0
95.08597	88.0
97.06536	9.4
97.10160	5.6
99.08073	5.0
104.16252	1.5
105.07027	12.0
105.14136	1.2
106.07272	1.4
107.08596	14.0
109.09380	2.2
109.10141	44.0
111.08104	3.8
111.11720	1.4
113.09621	1.9
115.87718	1.3
119.08579	11.3
121.10121	19.1
122.10487	1.4
123.08093	3.9
123.10825	2.3
123.11672	17.0
125.09657	2.2
127.11166	1.7
128.79109	1.2
133.10133	13.4
135.11688	10.7
137.09610	1.6
137.13248	9.1
141.12804	1.9
147.11653	9.9
149.13217	8.0
150.13622	1.7
151.14838	7.1
161.13274	9.2
163.14856	8.1
165.16350	7.8
175.14828	7.3
179.17976	2.2
181.15739	1.6
189.16469	3.3
206.90129	1.5
236.83488	1.4
245.22652	29.0
263.23685	67.4
264.23871	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.2368
Annotation	Farnesyl acetone
Peak:m/z	Relative Intensity
51.02354	0.4
53.00288	0.3
53.03951	1.0
55.01861	1.1
55.05507	14.6
57.03437	1.3
57.07071	11.1
58.51019	0.3
65.03933	2.1
66.04719	0.3
67.05499	86.6
68.05825	0.9
69.07062	16.7
71.04992	1.7
71.08626	6.6
71.52449	0.4
71.52809	0.2
73.06566	0.2
77.03908	0.5
78.32912	0.2
79.05486	22.2
81.03422	0.4
81.07049	100.0
82.07395	1.2
83.04976	1.9
83.08611	13.8
85.06535	5.1
85.07022	0.4
85.10178	2.9
91.05473	17.1
93.07036	24.0
95.04977	1.9
95.08598	86.7
96.08934	1.2
97.06521	7.1
97.07153	0.4
97.10163	7.1
98.10542	0.2
99.08082	5.9
102.36401	0.2
105.04522	0.5
105.06296	0.5
105.07020	11.9
107.08585	14.0
108.08927	0.3
109.06531	1.3
109.10146	44.3
110.10477	0.6
111.08076	5.1
111.11702	1.1
113.09644	3.0
117.07010	0.7
119.08570	12.2
121.10132	15.5
123.08073	2.6
123.11694	19.6
125.09622	1.1
125.13280	0.3
127.11201	2.0
131.08591	0.7
133.10115	14.1
135.11679	9.1
137.09615	2.2
137.13246	7.1
139.11206	0.7
141.12723	2.4
145.10104	0.6
147.11674	9.6
149.13249	8.7
151.11166	1.8
151.14809	8.0
152.15137	0.3
153.12737	0.5
155.14287	1.4
159.11726	0.4
161.13242	9.5
163.14801	7.4
165.12711	0.5
165.16379	9.1
167.14304	0.9
175.14799	7.7
177.16357	1.8
179.17937	4.0
181.15854	1.2
189.16347	3.5
191.18005	0.3
193.15823	0.6
203.17957	1.4
205.19415	0.5
207.17442	0.8
217.19470	1.5
219.21089	0.8
221.18985	0.3
235.08865	0.3
245.22633	30.3
246.23006	0.8
263.08337	1.0
263.23679	60.9
264.23898	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.2367
Annotation	Farnesyl acetone
Peak:m/z	Relative Intensity
53.03932	2.3
55.01837	1.0
55.05275	1.3
55.05505	17.7
55.29623	0.9
56.47750	0.9
57.03421	1.9
57.07068	13.1
63.21177	0.7
65.03912	3.7
67.05497	89.6
69.07059	18.2
69.76936	5.2
71.04992	1.7
71.08624	6.1
79.05482	25.2
81.03373	1.3
81.07047	100.0
83.04948	1.8
83.08147	1.5
83.08610	16.9
84.17066	0.9
85.06519	3.7
85.10153	3.7
91.05470	17.5
93.06487	1.7
93.07036	26.1
95.04953	3.7
95.08597	90.8
97.06522	8.9
97.10163	7.8
99.08080	5.1
105.07018	16.5
107.08585	13.6
109.06506	2.6
109.10143	45.7
111.08064	6.6
111.11703	1.4
113.09632	2.6
119.08579	12.2
121.10125	19.4
123.08045	5.1
123.11696	18.7
125.09607	1.9
127.11175	1.8
131.08562	1.1
133.10117	14.9
135.11670	11.6
137.09586	4.3
137.13237	8.6
141.12729	2.1
147.11652	10.2
149.13246	7.6
151.11134	2.1
151.14806	8.8
161.13255	10.1
163.14786	7.5
165.16351	7.9
175.14809	7.6
177.16330	2.1
179.17918	3.1
181.15894	1.9
189.16335	2.8
193.15800	1.0
203.17891	1.3
207.17459	1.5
245.22649	28.9
263.05600	1.0
263.08282	2.7
263.14618	4.3
263.23663	79.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.2367
Annotation	Farnesyl acetone
Peak:m/z	Relative Intensity
50.58647	3.7
55.05501	23.8
57.07069	11.0
67.05136	4.6
67.05499	87.2
69.07059	20.8
69.72694	11.1
69.73118	13.6
71.08620	7.6
79.05476	23.2
81.07048	100.0
83.08614	14.3
85.06538	4.8
91.05459	27.3
93.07024	30.5
95.08597	80.6
97.06537	8.2
97.10148	5.0
105.07027	22.6
107.08575	19.4
109.06501	4.2
109.10135	41.5
111.08076	5.2
119.08564	14.1
121.10135	20.6
123.08034	5.2
123.11683	17.6
133.10112	27.0
135.11696	12.2
137.13283	5.6
147.11687	15.2
149.13235	9.6
151.14775	4.6
161.13257	14.5
161.38268	4.4
163.14828	9.5
165.16365	7.5
175.14822	11.6
177.16377	4.3
245.22583	34.2
263.08139	10.7
263.14545	4.0
263.20181	7.0
263.23700	77.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.1388
Annotation	Unknow
Peak:m/z	Relative Intensity
52.94498	1.3
55.01851	1.3
56.96550	1.7
58.06584	3.0
59.07402	1.7
60.08159	74.4
61.02927	1.3
67.05499	2.0
68.91118	1.2
69.03387	2.3
69.07043	1.1
69.84341	6.7
70.06562	2.0
72.08127	1.6
81.03412	1.5
81.07038	2.7
84.04523	1.9
84.08098	2.2
85.02895	6.6
86.09684	2.5
91.05458	2.8
95.08608	1.3
97.02881	4.6
98.97577	1.7
101.00864	3.5
105.07026	2.7
107.04965	1.8
107.08633	1.4
111.94888	1.2
115.05456	1.5
119.01907	10.9
119.08540	1.2
120.08086	5.4
123.04410	5.3
127.59682	1.3
128.06241	1.9
129.06992	3.3
130.06517	71.1
130.08635	2.2
131.01895	5.5
131.04903	2.2
132.04439	69.2
137.05933	6.1
143.01878	5.1
143.08504	2.5
145.06445	1.6
145.10049	1.4
147.04396	4.6
148.07538	22.0
149.03006	1.3
149.05981	2.7
155.01901	1.8
157.06435	2.9
158.06001	52.9
161.02940	23.5
161.05920	3.4
163.03888	1.7
165.05460	1.5
171.08029	3.1
173.02942	7.7
173.05968	1.8
175.07561	5.3
176.07057	46.4
177.05362	1.5
181.06544	1.7
184.04863	1.4
186.05472	9.6
190.65932	1.2
191.04103	5.9
199.07530	5.6
203.04005	3.2
203.06995	2.0
204.06543	81.4
205.08528	1.6
217.08572	3.7
221.04828	1.8
227.07085	2.3
245.08112	7.5
254.29611	1.2
263.06039	9.7
263.09650	8.7
263.13889	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.2004
Annotation	3-Acetoxy-E-gamma-Bisabolene
Peak:m/z	Relative Intensity
52.52898	2.3
53.03928	4.2
55.01868	3.2
55.05508	21.8
56.57752	2.9
57.07066	3.7
58.10085	2.3
67.05500	29.7
68.94048	2.2
69.07047	12.1
69.56235	18.9
69.56651	3.6
71.75078	2.3
79.05482	73.7
80.62668	2.5
81.07050	28.2
83.08604	7.0
91.05465	28.6
93.07034	100.0
95.04960	6.7
95.08604	29.2
97.10201	3.7
105.07032	16.9
107.07891	3.7
107.08590	68.9
109.06482	3.6
109.10127	12.2
119.08556	13.3
121.10128	69.7
123.11727	2.8
131.08516	3.9
133.09239	2.8
133.10123	12.2
135.11696	41.9
147.11665	9.8
149.13245	13.1
161.02942	6.3
163.11070	3.5
171.11656	5.7
227.17912	4.0
230.16418	3.0
235.08586	3.4
245.18892	3.8
263.08252	11.8
263.20065	61.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.0612
Annotation	Unknow
Peak:m/z	Relative Intensity
51.05265	0.6
57.03443	0.6
64.09360	0.5
69.03410	0.8
69.71450	1.0
69.71856	2.8
70.99844	0.9
73.02903	0.8
77.00903	0.6
82.99793	2.9
85.02917	0.8
97.02880	1.4
100.51259	0.6
101.00875	23.4
105.00352	0.8
110.01413	0.6
112.36288	0.8
113.00864	5.1
119.01914	47.5
120.02041	0.7
131.00912	1.3
131.01901	23.7
133.03397	0.7
137.01926	0.9
137.02898	4.1
142.03435	1.0
143.01894	36.6
144.01953	0.8
145.03468	1.1
149.02950	3.3
155.01859	10.4
157.03459	1.6
161.02945	100.0
162.03046	1.5
173.02945	27.3
179.04012	2.7
183.05092	0.6
184.04523	2.6
185.02922	3.8
191.04001	17.6
194.78680	0.7
197.02931	1.7
203.03996	20.6
221.05084	4.1
228.23743	0.6
233.05151	1.1
239.06010	1.5
245.04967	0.9
253.05380	0.6
263.06039	19.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.0609
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96571	1.3
57.03452	0.5
58.43576	0.3
61.02946	0.4
69.03439	1.3
70.99853	0.5
72.08131	0.7
73.02918	1.1
80.23589	0.3
82.99876	1.6
85.02901	1.5
88.19787	0.3
94.99850	0.4
97.02885	1.3
98.21599	0.8
98.97585	0.5
100.99146	0.6
101.00872	17.1
109.01490	0.3
110.97629	0.4
113.00847	4.6
115.02395	0.6
119.01909	34.6
123.02924	0.4
127.02419	0.5
128.98608	0.5
131.01897	22.2
133.03423	0.9
137.02943	3.2
142.03490	0.5
143.01884	38.8
144.01971	0.8
145.03450	1.9
146.00641	0.4
149.02945	3.7
155.01869	15.0
157.03500	1.7
157.05235	0.4
161.02942	100.0
162.03094	1.8
162.99182	0.4
165.00752	0.4
167.01891	0.9
173.02948	39.8
174.03056	0.8
174.04466	0.4
175.04529	0.8
179.03998	3.1
183.04924	0.5
184.04562	2.5
185.02933	5.1
190.98544	1.3
191.03989	24.4
196.04485	0.6
197.02823	0.7
203.03984	15.6
208.04515	0.4
208.99635	1.0
209.04887	0.6
214.05565	1.2
215.03949	1.5
221.05042	4.8
229.42395	0.5
232.99797	0.6
233.04977	1.8
239.06071	1.3
241.83768	0.4
245.04898	1.8
263.06046	19.4
278.61557	0.4
281.07315	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.0612
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96566	2.5
69.03403	0.7
70.01264	1.6
70.01651	0.8
70.06576	0.7
72.08156	0.6
73.02908	0.7
82.99860	2.1
84.04484	0.7
84.08121	0.7
85.02877	1.2
94.27604	0.5
97.02884	2.0
98.97565	3.8
101.00870	19.0
102.96835	0.7
105.00335	0.9
107.01991	0.6
113.00835	4.9
115.02411	0.8
116.98602	2.3
119.01910	37.3
127.03939	0.6
131.01889	23.3
133.03444	1.1
134.99620	0.8
137.02959	4.4
142.03474	0.8
143.01881	29.9
145.03467	1.3
146.99580	0.6
149.02945	3.4
155.01855	10.8
157.03461	2.4
158.99614	0.9
161.02942	100.0
162.03099	1.6
167.01871	1.0
173.02945	32.1
174.03096	0.7
175.04514	1.3
179.00696	1.0
179.03920	2.5
184.04532	3.2
185.02945	6.1
191.02255	1.3
191.03989	23.8
197.02963	1.9
203.03984	17.7
214.05664	0.7
215.03975	1.4
220.97476	0.5
221.01788	1.1
221.04961	3.5
233.05049	2.1
239.06154	1.1
245.05135	0.8
251.03923	0.5
263.02921	5.7
263.06122	21.8
264.06387	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.2212
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	4.1
55.01860	1.5
55.05511	17.3
57.03419	1.6
57.07058	5.9
65.03923	3.4
67.05502	58.8
69.07067	16.6
69.86617	1.2
71.04973	2.7
71.08620	2.7
77.03882	1.3
79.05489	72.2
80.84564	1.4
81.07053	64.2
83.04947	1.7
83.08603	7.8
85.06511	3.8
91.05475	40.6
93.07037	100.0
95.04971	8.5
95.08603	44.8
97.06543	6.4
97.10159	4.2
98.21564	2.0
99.08064	3.4
105.04517	1.8
105.07020	29.0
107.08585	60.5
107.09308	2.9
109.06511	2.3
109.10151	17.4
111.08103	2.1
113.09576	1.4
117.07000	8.2
119.08567	21.7
121.10137	49.8
123.08012	1.8
123.11677	5.8
129.06960	1.6
130.20668	1.3
131.08562	18.4
133.10124	16.9
135.10710	2.4
135.11682	38.9
137.09547	1.9
137.13284	1.5
139.11116	1.5
145.10121	20.0
146.68256	1.2
147.11656	13.1
149.02357	1.4
149.09512	1.6
149.13249	34.4
151.11220	1.6
159.11678	13.3
161.13249	15.5
163.14813	24.6
165.12724	1.8
173.13258	11.7
175.14835	5.6
177.16351	5.0
179.14290	2.7
187.14815	8.0
189.16229	1.7
201.16385	3.8
233.22711	2.5
243.21091	38.5
261.22104	99.8
262.14496	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	261.221
Annotation	Dinortrixagone
Peak:m/z	Relative Intensity
51.02361	0.9
53.03936	3.6
55.01854	1.1
55.05276	1.0
55.05508	10.4
57.03418	1.8
57.07058	3.4
57.87462	0.7
65.03927	0.8
65.78890	0.8
67.05495	41.0
69.06723	1.1
69.07063	12.9
70.93182	1.8
71.04968	2.5
71.08602	0.9
77.03902	1.2
79.05484	53.3
81.07047	49.8
83.04935	1.0
83.08616	6.3
85.06535	3.8
85.10072	0.8
91.04902	1.4
91.05470	25.8
93.07032	72.0
95.04948	4.6
95.08593	37.3
97.06516	3.9
97.10159	2.3
99.08089	3.7
105.07020	19.4
107.08584	48.4
109.06499	3.1
109.10139	15.5
111.08067	3.1
113.09616	1.7
115.05404	0.7
117.07013	6.6
118.92154	0.9
119.08573	16.2
121.10130	43.0
123.08089	1.8
123.11684	4.5
125.09632	2.1
131.08543	15.6
133.10129	12.4
135.11678	35.4
137.09576	1.7
137.13231	1.1
139.11203	1.4
141.60820	0.7
145.10106	15.7
147.11670	12.3
149.09647	0.9
149.13240	28.6
151.11201	1.2
159.11685	11.3
160.07593	0.8
161.13234	12.5
163.11162	1.0
163.14810	20.5
165.12608	1.7
167.14191	0.8
173.13231	11.1
175.14825	4.9
177.16316	5.4
179.14232	2.0
187.14781	7.4
199.30020	0.7
201.16345	3.4
215.17982	1.6
219.17458	1.1
233.22595	1.0
243.21060	35.2
261.22110	100.0
262.14319	2.9
262.22452	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.221
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	3.8
55.01841	1.1
55.05505	15.5
57.03434	1.1
57.07079	4.3
65.03915	2.0
65.20340	0.8
67.05499	45.4
67.11084	0.7
69.07063	13.3
69.26746	7.7
71.04972	2.0
71.08609	1.8
74.44234	0.7
77.03890	1.4
79.05486	65.2
81.03400	1.1
81.07047	53.0
83.04965	1.4
83.08614	9.1
85.06530	4.8
91.04898	1.5
91.05473	32.8
93.07034	81.0
95.04961	5.9
95.08597	41.1
97.06513	4.9
97.10155	2.9
97.50427	0.8
99.08089	3.8
105.04494	1.8
105.07021	21.0
107.08582	51.2
109.06519	2.9
109.10146	16.1
111.08060	4.0
113.09628	1.0
117.07027	7.3
119.06047	0.9
119.08568	17.5
121.10131	46.7
123.08067	1.5
123.11706	4.5
125.09621	1.3
129.06995	0.9
130.07733	0.8
131.08546	16.9
133.10098	13.4
135.08057	0.9
135.11673	36.6
136.12080	0.7
137.09590	2.1
137.13177	1.4
138.67085	0.6
139.11055	0.8
145.10107	16.1
145.96602	0.7
147.11679	12.5
149.09526	1.1
149.13239	26.6
151.11140	1.0
151.14743	0.9
156.22617	0.8
159.11671	11.5
161.13242	10.5
163.11076	0.8
163.14793	21.7
165.12738	1.9
173.13258	11.7
175.14813	3.5
177.12660	1.4
177.16362	5.3
179.14253	1.8
187.14774	7.5
189.16360	1.0
191.14391	0.7
201.16321	3.3
203.17978	1.1
205.15819	1.2
215.17915	1.3
219.17453	1.5
233.22731	1.4
243.21066	31.3
261.22110	100.0
262.22446	1.3
273.18283	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.2211
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02366	0.4
53.03947	3.0
53.69687	0.4
55.01865	0.8
55.05507	14.6
56.41679	0.4
56.76282	0.3
57.03432	1.8
57.07065	3.8
65.03934	2.5
67.05501	44.1
69.07063	14.0
70.71193	0.9
71.04993	2.2
71.08627	1.8
77.03924	0.6
79.05488	63.1
80.05815	0.5
81.07050	51.4
83.04976	1.7
83.08610	8.0
85.06535	4.3
91.05472	31.9
93.07037	82.7
94.07365	0.5
95.04973	5.1
95.08601	38.9
97.06522	4.1
97.10155	3.2
99.08083	4.3
103.05453	0.9
105.04520	1.4
105.07025	22.4
107.08587	49.3
108.08884	0.5
109.06514	2.3
109.10147	16.2
111.08077	3.5
111.11749	0.7
113.09661	1.3
115.05459	0.7
117.07007	7.3
119.06081	0.5
119.08573	17.4
120.08957	0.4
121.10137	46.2
123.08066	1.5
123.11687	5.5
125.09638	1.4
129.07013	0.8
130.07802	0.6
131.08568	15.9
133.10115	14.1
135.08086	0.7
135.11682	34.5
136.12024	0.4
137.09625	1.3
137.13245	1.5
139.11133	1.0
145.10112	14.4
147.11682	12.3
149.09605	1.4
149.13243	28.2
151.11145	1.0
151.14803	0.9
153.12798	0.8
157.10072	0.4
159.11684	11.2
161.13252	11.3
163.11230	0.6
163.14807	20.5
165.12740	1.5
173.13252	12.5
173.14708	0.8
175.14812	3.9
177.12794	1.0
177.16382	5.7
179.14319	1.9
187.14816	8.2
189.16336	0.6
190.83537	0.5
191.14305	0.8
201.16319	3.0
205.15886	0.7
209.90588	0.5
215.17902	1.6
217.19450	0.7
219.17462	0.8
233.22604	1.2
243.06444	0.8
243.21072	30.3
244.21483	0.8
261.07590	0.9
261.22116	100.0
262.14380	0.5
262.22495	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.221
Annotation	Dinortrixagone
Peak:m/z	Relative Intensity
51.02366	1.2
53.03929	3.4
55.01828	0.8
55.05505	16.8
57.03417	2.1
57.07069	4.3
58.75694	0.7
65.03922	1.5
67.05497	48.5
69.07061	12.9
69.40309	6.8
71.04976	2.8
71.08598	2.4
77.03903	1.1
79.05482	60.0
81.03418	0.8
81.07045	51.4
83.04967	1.3
83.08603	7.8
85.06553	3.7
91.05472	30.9
93.07034	82.7
95.04966	4.5
95.08598	39.0
97.06535	4.4
97.10166	3.5
98.20760	1.5
99.08066	4.4
105.04506	1.2
105.07020	21.8
107.08582	52.7
109.06481	3.4
109.10138	15.4
111.08064	4.1
113.09608	1.6
115.33383	0.7
117.07004	8.1
119.08570	17.8
121.06487	0.8
121.10133	46.7
122.10422	0.9
123.08013	1.2
123.11665	4.4
125.09641	1.7
129.07014	0.7
131.08545	16.3
133.10100	13.9
135.11678	39.9
137.09592	2.0
137.13216	1.7
139.11189	0.8
145.10101	16.3
145.11176	1.4
147.11653	12.1
148.55157	0.7
149.09581	1.0
149.13243	28.1
151.11145	1.2
153.12752	0.9
159.11676	11.0
161.13234	10.9
163.11189	0.7
163.14806	22.5
165.12662	1.2
173.13200	9.9
175.14749	4.5
177.16379	6.7
179.14267	2.0
187.14792	8.3
201.16339	3.3
201.76936	0.7
203.18018	1.0
205.15948	1.1
215.17935	1.5
217.19548	1.1
219.17522	1.0
233.22745	1.3
243.21068	33.6
261.22107	100.0
262.22552	1.7
277.29657	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.0304
Annotation	Cyclophosphamide
Peak:m/z	Relative Intensity
56.96554	1.5
70.35073	0.4
70.35461	0.5
74.97571	0.3
83.63487	0.3
98.97572	3.5
101.00882	2.5
116.98611	2.9
119.01916	7.3
119.15586	0.2
134.99675	1.6
137.02916	2.2
140.98689	0.5
158.99782	1.0
161.01198	0.4
161.02805	0.3
166.43604	0.3
170.99597	0.3
173.01210	0.3
175.03107	0.3
177.00940	14.4
178.00951	0.7
179.00739	0.5
182.99866	0.4
189.00789	0.4
200.02557	0.3
201.00848	1.2
217.04085	2.3
218.03638	0.5
219.01994	21.3
220.02075	0.9
221.01723	2.8
222.01848	0.4
225.00829	1.9
237.02841	0.6
237.98779	0.4
238.98347	0.3
242.03639	0.3
243.01961	8.4
243.04301	0.6
244.02081	0.5
261.03043	100.0
262.03152	5.0
263.03336	0.4
278.97543	0.4
279.00320	2.2
279.03281	0.3
279.10690	0.3
284.04672	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	261.1596
Annotation	Unknow
Peak:m/z	Relative Intensity
58.12692	0.5
60.08162	30.0
71.13184	1.4
105.64115	0.4
111.79532	0.5
115.05460	1.1
117.05752	1.5
124.02013	0.5
125.65099	0.5
130.06509	0.6
132.08099	1.0
142.06520	3.7
143.07281	7.7
144.04445	3.3
145.05217	6.5
158.09665	1.0
160.07573	100.0
161.07912	1.4
170.06000	11.1
202.08621	66.1
203.08980	0.9
261.16068	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.2211
Annotation	Dinortrixagone
Peak:m/z	Relative Intensity
53.03939	2.8
55.01869	0.8
55.05505	14.1
57.03432	2.0
57.07072	4.3
65.03928	2.4
66.37424	0.4
66.93878	0.5
67.05499	44.9
68.64565	0.5
69.07062	14.3
69.36196	2.1
69.36618	2.5
71.04974	3.1
71.08627	1.5
77.03917	0.6
79.05485	61.1
81.07049	53.9
81.07751	0.8
83.04967	1.3
83.08617	7.5
85.06519	4.0
91.05469	31.4
93.07034	84.1
95.04964	6.5
95.08598	37.4
97.06531	3.7
97.10136	2.4
99.08081	4.5
105.04508	1.5
105.06302	1.2
105.07018	20.6
107.08584	50.3
109.06497	3.0
109.10145	15.5
111.08084	3.7
113.09644	1.1
115.05505	0.6
117.07014	5.9
119.07720	0.6
119.08571	16.8
121.10132	46.2
123.08076	2.2
123.11681	5.9
125.09611	1.0
129.06999	0.8
131.08556	13.9
133.10115	13.9
135.08087	0.6
135.11678	35.8
137.09598	1.8
137.13234	1.2
139.11168	1.1
143.08575	0.7
144.09328	0.7
145.10109	14.7
147.11678	12.2
149.09639	1.0
149.13248	28.2
151.11150	1.1
151.14821	1.0
153.74506	0.6
159.11673	11.7
161.13232	13.0
163.11169	0.9
163.14815	21.3
165.12743	1.7
173.13232	9.6
175.14812	4.7
177.16377	5.4
179.14316	2.2
187.14789	7.3
189.16377	1.4
191.14252	0.9
201.16350	4.0
205.15886	1.5
215.17923	1.8
217.19513	1.1
219.17360	0.7
233.22720	0.8
243.18468	1.1
243.21059	32.4
261.22110	100.0
262.22482	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	259.2013
Annotation	Unknow
Peak:m/z	Relative Intensity
53.81123	0.2
55.05507	0.4
67.05496	0.6
69.03420	0.5
69.07051	1.1
71.36825	0.5
71.37176	0.2
76.35518	0.2
81.03407	0.4
81.07056	0.3
84.08112	0.3
86.09698	100.0
87.00785	0.3
87.10028	0.5
91.05470	0.4
93.07042	0.7
95.08596	0.5
97.02890	0.3
98.97551	0.3
105.07025	0.4
107.08598	0.5
119.08595	0.4
121.06534	1.4
145.10068	0.4
146.11745	27.8
147.11987	0.2
151.07535	0.9
165.09146	0.4
165.93977	0.3
199.18047	2.2
244.12140	1.0
259.09793	0.5
259.13806	0.4
259.17322	0.5
259.20215	4.4
259.24258	0.3
278.07764	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	260.1603
Annotation	H-Ile-Gln-OH
Peak:m/z	Relative Intensity
51.58722	1.5
55.01865	1.6
55.05501	3.8
56.05035	6.2
56.96304	1.5
56.96559	23.3
60.04524	1.2
67.05482	1.2
69.03414	2.0
69.07044	2.9
70.06570	3.8
70.43755	5.0
72.08149	25.0
81.03397	1.6
83.06089	30.6
84.04498	56.2
84.08138	31.6
84.96012	1.8
85.02884	2.7
86.09697	100.0
88.14218	1.1
91.05476	1.5
91.54118	1.2
95.04944	2.8
97.02865	1.6
98.21429	1.4
98.97581	7.0
101.07114	4.6
105.07020	1.3
107.04951	13.7
108.05237	1.8
110.07129	1.5
110.97549	1.7
112.07576	1.5
116.98602	6.1
119.01832	1.8
128.98595	2.9
129.06580	2.5
129.10204	10.6
130.06500	2.6
130.08633	8.3
131.01884	2.4
132.10179	14.5
133.06506	2.0
134.99626	3.1
137.05933	1.4
143.11742	4.9
144.06540	16.5
146.05928	1.3
146.99585	2.6
147.11266	10.0
157.13370	22.0
158.99608	1.7
161.01250	2.0
161.09190	16.2
170.99692	2.5
171.11282	1.5
177.00633	2.2
178.44737	1.5
185.12856	6.3
189.00694	2.1
189.12306	3.3
196.14398	3.0
197.12827	15.6
198.11285	1.6
203.02206	1.7
211.02791	3.1
219.01840	1.8
225.12277	1.6
237.02757	4.0
242.14963	32.0
243.13376	14.3
245.03186	1.7
255.01697	4.0
260.06549	1.6
260.10065	2.7
260.16202	2.8
260.19678	7.6
273.02731	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	257.1898
Annotation	3-Deoxyestradiol
Peak:m/z	Relative Intensity
55.05500	3.8
57.07059	4.0
58.07379	1.6
62.33884	1.6
67.05498	6.8
69.07045	4.4
69.85065	5.0
69.85468	4.3
70.06574	1.7
71.04977	5.7
75.06837	1.5
79.05489	7.7
81.07053	8.7
83.08605	2.7
85.06531	2.0
88.07594	5.1
88.51141	1.6
89.07948	2.0
91.05469	9.1
93.07037	14.6
95.04957	3.4
95.08576	9.3
97.06514	1.9
98.20805	2.1
103.09539	2.0
105.07027	23.8
107.08598	14.0
109.06520	7.7
109.10150	11.1
115.05385	2.7
117.07001	6.1
119.08581	19.6
121.06491	2.6
121.10136	64.1
123.08080	4.1
128.06197	3.5
129.06998	4.3
131.08560	13.2
133.10104	9.6
135.08060	12.9
135.11722	2.5
137.09584	4.8
141.06955	2.4
142.07750	5.0
143.08527	15.0
144.09349	2.1
145.10120	18.9
147.11676	4.8
149.09624	2.6
151.11227	2.3
155.08542	4.4
156.09370	4.5
157.10107	21.3
158.10849	3.1
159.11678	21.8
161.09636	2.9
161.13191	1.9
163.11179	5.3
168.09396	2.2
169.10089	9.3
171.11697	11.4
173.13235	19.2
175.11137	3.5
175.14754	2.2
177.12732	1.6
182.10817	2.1
183.11668	10.0
184.12488	2.8
187.11183	3.3
187.14786	3.2
195.11720	2.1
197.13234	7.9
199.14806	29.2
201.12712	7.7
202.13580	1.9
213.16411	10.2
215.14352	4.1
215.17932	6.4
217.76724	1.6
221.97398	1.7
224.15395	2.6
239.17943	13.2
257.18997	100.0
257.26630	45.6
258.27899	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	257.1897
Annotation	3-Deoxyestradiol
Peak:m/z	Relative Intensity
53.03924	1.2
55.01863	2.1
55.05507	10.9
57.07047	3.3
58.83327	1.5
67.05490	16.2
69.00439	1.5
69.03416	1.3
69.07056	7.4
69.69955	7.4
79.05483	11.9
79.23091	1.1
81.07043	13.9
83.04958	3.4
83.08587	2.7
91.05472	19.0
93.07040	9.7
95.04940	3.2
95.08592	10.4
97.06521	2.6
97.10161	2.2
103.05443	1.6
105.07017	18.0
107.04931	5.6
107.07961	1.2
107.08579	8.7
109.06498	3.6
109.10120	4.3
115.05398	2.4
116.06211	1.4
117.06990	13.8
119.04979	1.8
119.08578	12.4
121.06445	4.1
121.10123	4.2
128.06172	2.9
129.06981	7.6
130.07741	2.7
131.04881	1.3
131.08546	32.3
133.06461	12.1
133.10144	10.8
135.08009	1.9
135.11661	2.9
141.07005	3.4
142.07683	3.4
143.08554	10.4
144.05661	1.8
145.06459	12.6
145.10109	27.7
147.08038	12.2
147.11673	5.3
155.08492	6.2
157.10083	10.4
158.07281	2.1
159.08038	11.7
159.11655	12.6
161.09595	13.0
161.13226	3.1
163.11143	3.2
169.10104	7.3
171.11620	6.3
173.09625	17.7
173.13237	4.4
175.11159	9.5
175.14819	1.4
177.12822	2.0
183.11696	6.8
185.13242	3.7
187.11156	8.0
187.14771	2.3
189.12694	3.3
197.13281	4.2
199.14810	2.0
201.12727	6.5
201.16385	2.1
211.14731	1.8
213.16438	1.5
215.14336	4.0
215.17805	2.1
229.19460	4.4
239.17947	11.4
257.18979	100.0
257.26614	2.6
258.19409	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	257.1898
Annotation	3-Deoxyestradiol
Peak:m/z	Relative Intensity
51.43354	0.8
55.01851	0.9
55.05506	12.0
55.30142	0.7
56.18637	0.9
57.07072	1.3
57.32053	0.7
57.35945	0.7
60.08175	0.9
62.63990	0.7
65.03957	1.0
67.05501	23.2
69.07072	4.2
69.77491	4.9
79.05486	12.7
80.88279	0.8
81.07050	12.1
83.08621	3.8
85.06543	0.8
85.91666	0.7
91.05476	21.8
93.07031	10.7
95.04950	1.3
95.08598	18.5
97.10173	1.7
103.05416	1.2
105.07024	22.0
107.08601	6.4
109.06562	0.8
109.10155	5.5
115.05457	2.2
116.06246	1.8
117.07011	24.8
119.08581	15.0
121.10117	6.4
125.09577	0.8
128.06198	4.3
129.06984	11.0
130.07759	4.5
131.08559	36.8
133.06464	2.3
133.10120	14.9
135.11694	1.8
137.09528	1.3
141.06953	4.2
142.07774	2.5
143.08556	15.6
144.09279	0.9
145.06500	6.3
145.10114	80.9
147.08009	2.2
147.11687	10.5
149.09625	1.0
154.07787	1.5
155.08562	6.3
156.09361	1.2
157.10121	12.9
158.07341	1.1
159.08026	1.5
159.11684	21.4
161.09648	2.6
161.13213	3.6
163.11159	1.8
167.08574	1.0
168.09329	1.2
169.10112	11.8
171.11668	17.0
173.09642	2.4
173.13252	8.3
175.11195	2.9
183.11696	8.6
185.13219	4.2
186.14049	1.0
187.11156	14.3
187.14798	5.9
189.12715	1.3
197.13231	9.8
199.14833	1.2
200.15718	0.9
201.12746	1.5
201.16328	1.6
211.14836	2.6
213.16379	2.7
215.14328	3.3
215.17921	1.1
229.19498	43.9
239.17928	15.8
257.18994	100.0
257.30203	5.1
258.19330	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.1895
Annotation	3-Deoxyestradiol
Peak:m/z	Relative Intensity
55.01855	1.0
55.05505	10.5
57.03436	3.8
57.07064	1.6
65.03943	1.1
67.05498	26.7
69.07061	7.1
71.04976	2.3
73.73137	0.6
78.23100	0.7
79.05478	12.7
81.03413	0.7
81.07046	21.8
83.04964	1.9
83.08617	4.9
85.06523	1.9
91.05470	24.2
93.07040	12.3
95.04951	2.7
95.08595	17.1
97.06492	4.4
97.10158	1.3
98.20757	1.1
99.08060	1.2
103.05437	1.2
105.07021	20.9
107.04924	1.6
107.08588	6.1
109.06506	1.9
109.10140	6.9
111.08063	1.8
115.05430	3.2
116.06188	1.7
116.88677	0.7
117.07005	33.6
119.08569	13.6
121.06480	1.5
121.10123	4.9
123.08051	1.8
123.11682	0.9
125.09602	0.8
128.06184	6.2
129.06992	18.8
130.07758	5.6
131.08553	58.8
133.06438	3.8
133.10104	11.4
135.08015	2.1
135.11653	2.3
137.09605	2.4
141.06985	7.3
142.07751	4.9
143.08543	20.9
144.09319	1.4
145.06465	5.7
145.10106	96.6
146.10432	0.9
147.07996	4.9
147.11673	8.3
149.09627	2.2
151.11101	1.1
153.07016	1.1
154.07715	2.0
155.08528	9.2
155.13794	0.8
156.09286	2.2
157.10115	24.8
159.08031	5.1
159.11673	31.1
161.09593	5.1
161.13239	2.9
163.11180	2.7
165.12747	1.9
167.08582	1.5
168.09337	2.7
169.10118	16.0
171.11665	22.0
173.09592	5.1
173.13228	13.8
175.11182	6.1
175.14859	2.4
177.12704	1.5
181.10106	1.8
182.10899	1.5
183.11674	17.6
185.13213	5.9
187.11186	7.0
187.14806	2.3
188.69766	0.7
189.11128	0.8
189.12762	2.7
195.11717	1.2
196.12334	1.0
197.13240	15.7
199.14774	3.4
201.12700	3.7
201.16364	1.1
210.14021	1.4
211.14801	3.9
213.16333	4.1
215.14293	3.6
215.17978	2.6
229.15894	1.2
229.19536	5.4
239.17924	32.9
257.04501	1.4
257.18988	100.0
258.19321	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	256.9644
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05483	0.5
56.96558	18.0
57.03403	0.5
57.97338	0.4
69.03403	1.1
69.83883	1.7
70.06570	0.6
71.95248	3.4
72.08144	1.0
73.02914	0.4
83.04952	0.5
84.08136	0.5
85.02887	1.4
95.04939	0.4
97.02874	0.7
98.97569	100.0
101.00845	1.0
102.04038	0.3
109.02860	0.3
116.98604	81.0
117.03949	0.5
118.04092	0.5
119.01900	4.9
120.02032	0.4
121.01608	0.3
121.02854	0.9
125.07099	0.4
130.93297	2.0
131.01933	0.9
133.03459	0.6
134.99637	41.4
136.05093	0.4
137.02957	1.2
140.00195	2.1
143.01892	0.4
145.03442	0.5
152.07063	0.4
153.00693	5.4
153.55841	0.4
154.93329	0.4
158.01282	1.9
161.02986	0.8
161.05513	0.7
162.03157	0.3
164.04681	0.4
170.05032	0.7
172.94319	4.7
173.02919	0.6
177.00826	0.8
177.04341	0.4
185.02953	0.4
185.04543	0.6
190.95378	6.3
192.98662	0.6
197.02895	0.5
203.02432	0.5
203.04242	0.4
208.96439	3.2
208.99362	0.3
213.06084	0.4
214.95457	1.5
215.03963	0.7
216.98759	0.5
219.01978	1.0
221.02975	1.0
232.96405	8.4
233.01428	0.4
234.99744	1.9
239.03984	0.5
241.94209	0.4
250.97452	5.1
251.02512	1.3
251.11603	0.3
252.02780	0.4
256.56778	0.4
256.96396	8.7
257.05038	1.7
261.02997	1.6
274.97470	71.9
275.97787	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.1896
Annotation	3-Deoxyestradiol
Peak:m/z	Relative Intensity
50.66906	3.2
55.05510	14.7
55.89259	2.6
57.03427	3.9
57.07071	5.3
65.83808	2.9
67.05495	32.8
69.07060	8.0
71.52737	3.6
71.53101	4.1
72.08144	4.2
79.05470	9.6
81.07044	23.6
83.08599	5.8
85.06548	4.8
91.05469	20.6
93.07032	5.0
95.08581	13.3
97.06496	6.1
105.07018	13.8
107.08572	5.4
109.10116	4.1
115.05444	6.4
116.06178	3.2
117.00715	2.8
117.07005	48.5
119.08578	6.8
121.10152	5.3
123.01220	2.6
123.48199	2.9
128.06189	11.1
129.06996	40.6
130.07790	4.9
131.08549	100.0
133.10081	16.2
141.05992	3.0
141.06956	20.0
142.07790	4.8
143.08557	33.6
145.10104	99.5
147.11641	4.3
154.07706	4.4
155.08524	23.0
157.10107	33.2
159.08069	5.3
159.11656	46.0
161.09505	3.4
168.09351	4.4
169.10100	22.3
171.11684	61.7
173.09740	3.4
173.13260	23.4
175.11093	5.1
183.11659	48.4
185.13261	7.1
197.13235	24.0
211.14877	5.0
228.07542	3.4
239.17923	52.4
257.18985	60.5
257.26654	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	255.1226
Annotation	Striatisporin A
Peak:m/z	Relative Intensity
51.05223	4.6
55.01861	7.7
55.05493	17.4
56.96542	6.0
57.07054	12.4
59.04986	11.8
67.05491	16.6
69.03410	9.7
69.07043	13.7
69.72440	7.5
69.72853	25.3
79.05495	62.7
79.73206	5.5
81.03414	6.2
81.07076	28.0
81.07468	5.5
83.04966	35.0
83.08608	8.1
83.25618	4.7
84.08106	6.5
85.02868	6.9
91.05468	23.1
93.07020	17.2
95.04965	18.3
97.02868	7.0
97.06509	22.6
98.98459	100.0
100.98907	4.8
103.05473	8.6
105.07027	26.5
107.04939	23.2
107.08607	32.9
108.05615	5.1
109.06500	35.3
109.10141	11.0
110.07170	11.1
111.04423	12.3
111.08120	11.5
119.08537	8.4
121.02885	5.9
121.06481	12.2
121.10136	11.8
122.03268	5.6
123.04418	8.8
125.05962	29.9
125.09634	19.4
131.08539	9.3
133.06458	23.5
135.04398	58.2
135.08043	39.4
137.05922	6.8
139.07520	9.4
145.10066	16.9
147.06819	6.7
149.09610	21.8
153.05466	72.1
153.09093	14.7
161.05945	8.9
163.03871	15.7
163.11255	8.1
171.06519	10.5
171.10243	6.6
173.09631	22.9
176.06644	9.0
177.09094	9.2
179.07048	16.3
179.10631	32.0
181.03416	5.9
181.04837	27.8
191.10687	14.4
192.52448	4.9
194.07605	7.3
199.05986	30.8
209.09993	73.1
209.11748	10.4
219.10121	14.8
237.11183	23.5
255.06313	7.9
255.12270	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	256.0301
Annotation	Unknow
Peak:m/z	Relative Intensity
52.34945	1.5
55.01865	2.1
57.03429	2.9
58.99592	2.4
58.99860	27.2
67.62663	1.8
69.03416	5.0
70.06587	3.2
70.95281	4.0
73.02904	2.4
77.00902	8.9
81.03395	2.8
81.57756	1.5
82.01434	19.5
84.08133	2.8
85.01398	3.9
85.02885	8.4
95.01917	2.4
97.01381	1.5
97.02892	7.1
98.97570	1.6
99.02950	14.3
99.04454	1.7
100.02467	60.5
101.00863	17.0
103.02454	14.5
110.07177	4.0
113.00832	2.5
115.02439	8.8
117.03982	100.0
118.03487	23.5
119.01907	75.2
120.02039	1.6
121.03488	9.2
123.02878	1.7
124.03928	21.0
125.00846	2.4
127.02401	12.9
131.01863	4.0
133.03423	8.6
135.05019	82.6
137.02943	27.5
140.05556	37.3
142.03476	4.3
143.01874	34.5
144.99843	8.2
145.03453	63.3
145.04688	2.1
147.01364	7.1
150.04007	3.4
157.03421	3.4
158.06618	45.0
160.04701	4.6
161.02942	37.0
161.04193	3.2
161.05519	6.0
163.00900	2.9
163.04503	36.6
165.02472	3.5
166.03522	13.5
168.05055	31.3
168.06383	3.3
169.05298	5.3
170.02983	6.0
170.06049	2.3
171.01364	21.7
173.02953	2.0
179.03979	3.9
181.08186	1.9
184.04533	72.6
184.06146	4.0
185.02844	2.5
185.04575	1.9
186.06058	8.8
187.00897	6.2
187.04646	1.9
189.02429	41.5
190.02385	1.7
191.00264	2.7
192.01442	2.6
194.02979	10.2
196.00830	4.3
203.03845	1.8
205.01926	6.2
207.03508	21.4
207.05466	2.3
207.06105	1.8
210.02460	33.4
212.04048	25.3
214.01949	4.4
215.00360	3.8
223.02966	2.9
228.03560	6.3
230.05070	15.2
233.01466	8.9
251.02490	18.7
256.03033	11.7
274.04199	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	254.9753
Annotation	Unknow
Peak:m/z	Relative Intensity
52.05657	18.8
52.54086	22.2
71.43099	40.0
75.65212	18.9
76.01884	18.3
81.47071	20.6
85.82604	18.9
93.07433	20.1
93.84657	18.7
123.05502	21.4
126.35459	21.1
152.94756	39.0
170.95755	100.0
212.96660	48.5
230.97905	36.2
254.97466	63.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.1225
Annotation	Striatisporin A
Peak:m/z	Relative Intensity
53.03930	6.5
55.01867	7.7
55.05515	23.2
57.03439	6.3
57.07061	12.7
59.05000	5.7
60.25945	4.4
67.05511	24.2
69.03425	22.2
69.07053	15.0
70.06573	8.8
70.66056	14.0
72.08161	12.3
79.05493	56.8
81.03381	5.2
81.07057	39.7
82.21483	4.5
83.04979	34.5
83.08610	8.5
84.08088	6.4
85.06521	5.7
86.09711	10.3
86.18528	4.2
91.05478	33.2
93.07026	16.1
95.04954	25.8
95.08574	9.3
96.39942	4.3
97.06519	24.9
97.10188	6.9
98.97861	8.6
98.98463	96.1
101.06042	10.1
105.07049	28.5
107.04951	50.8
107.08582	55.6
109.06522	34.2
109.10137	21.0
110.07162	17.5
111.04440	13.3
111.08065	12.5
113.05898	4.2
116.99464	5.6
119.04935	7.2
119.08607	6.6
120.08098	8.2
121.02849	9.2
121.06500	8.2
121.10140	17.9
122.03194	7.1
122.05995	9.4
123.04414	13.9
125.05995	49.8
125.06880	6.8
125.09605	19.7
128.98460	4.4
129.04335	3.8
130.07738	5.9
131.04889	6.0
131.08585	7.5
133.06502	35.5
133.09993	6.9
134.63316	4.2
135.04398	67.2
135.08025	46.8
137.05988	9.2
137.09602	18.9
139.04015	7.2
139.07539	9.7
145.10121	19.4
147.08038	10.5
149.05936	5.4
149.09621	31.2
151.07527	6.9
153.05449	100.0
153.09076	19.5
156.07721	5.9
159.08081	6.5
161.05968	6.2
161.09595	6.8
163.03914	24.2
163.11162	9.9
171.06508	14.1
171.10146	6.4
173.09621	34.2
177.09117	14.2
179.06999	16.8
179.10629	50.3
181.04890	30.5
191.10663	21.0
195.06570	7.5
195.08272	5.8
195.10075	6.6
199.05998	44.6
213.11172	5.0
219.10217	24.1
223.07249	5.7
237.11115	25.9
255.12215	39.3
258.74860	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	254.0658
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01855	0.5
56.05020	0.5
56.96542	0.5
58.47557	0.4
58.81276	0.4
65.03931	3.4
66.32048	0.4
66.78494	0.4
67.08201	0.4
70.02938	1.4
70.06574	1.5
71.52614	0.8
71.52995	0.5
72.08135	1.5
74.02445	1.0
81.07047	0.6
84.04465	0.6
84.08150	2.3
86.09737	0.7
88.03967	1.6
91.05444	0.5
93.03397	2.0
95.04981	0.5
98.98456	6.9
111.04412	1.0
116.03419	0.8
120.08102	3.0
121.02854	100.0
127.27696	0.5
128.75763	0.4
129.10182	0.5
134.04500	2.6
139.03870	0.9
236.05577	1.0
254.06651	1.1
254.13901	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.1432
Annotation	3alpha-Hydroxyoreadone
Peak:m/z	Relative Intensity
53.03942	2.1
54.59713	1.3
55.01864	3.4
55.05510	7.6
58.55577	1.1
63.13514	1.2
64.67560	1.3
65.03896	2.0
67.05489	13.3
69.03421	2.7
69.07066	7.1
70.12076	4.7
71.04980	7.5
77.48783	1.6
79.05078	1.8
79.05484	21.0
81.03415	1.5
81.07047	45.3
81.07525	2.3
83.04967	4.8
83.08603	2.0
85.06544	2.8
86.69000	1.2
91.05460	13.8
93.07034	39.0
95.04951	13.2
95.08049	1.7
95.08602	16.1
97.06515	16.6
98.98477	7.3
99.04427	9.4
103.05464	1.5
105.07028	20.4
107.04926	5.6
107.08568	15.7
109.06508	30.6
109.10129	4.7
111.08066	3.3
113.05964	3.3
115.05463	1.4
117.07035	1.9
119.04932	1.4
119.08571	14.8
121.06491	100.0
121.10096	1.8
123.04414	2.6
123.08051	5.4
125.05977	2.8
127.07519	12.5
128.06180	3.3
129.06973	4.5
131.08542	3.2
133.06424	4.8
133.10101	7.7
135.04373	5.6
135.08023	10.0
137.05916	2.7
139.07523	21.0
141.05412	2.9
142.07764	4.7
143.08543	6.2
145.06374	1.7
145.10095	6.6
147.08049	3.2
147.11664	23.5
151.07582	2.0
156.09305	4.7
156.56987	1.3
157.06519	1.3
157.08716	2.5
157.10089	11.9
161.09601	1.4
161.13234	14.7
165.06998	1.5
165.12738	4.1
166.07750	2.8
171.11658	12.5
173.09570	1.6
175.11165	16.9
181.10138	6.3
184.08794	2.4
189.12712	25.0
193.12241	16.9
199.11165	34.7
207.13765	9.7
216.84171	1.6
217.12218	80.9
218.12679	1.9
231.54247	1.4
235.13297	31.8
253.14326	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	253.1433
Annotation	3alpha-Hydroxyoreadone
Peak:m/z	Relative Intensity
53.03941	3.3
55.01859	5.1
55.05510	6.7
56.38964	0.7
57.03461	0.8
57.07064	1.3
59.04982	1.2
59.08111	0.7
59.39228	0.9
63.08236	0.7
65.03942	1.1
67.05175	1.2
67.05502	15.0
69.03419	4.1
69.07065	4.6
69.39874	5.5
71.04993	7.9
77.03924	1.6
79.05488	24.7
79.68082	0.7
81.03423	1.1
81.07054	54.2
83.04988	5.7
83.08611	2.6
85.02905	1.2
85.06553	4.7
91.05477	17.6
93.07040	42.4
95.04964	12.9
95.08603	18.4
97.02875	1.4
97.06530	15.7
98.21500	1.2
98.98466	31.4
99.04459	6.4
101.06007	1.0
105.04491	0.9
105.06316	1.0
105.07030	29.2
107.04948	5.8
107.08589	20.8
109.06516	33.0
109.10154	5.3
111.04465	1.1
111.08060	3.3
113.06003	3.6
113.30815	0.8
115.05391	0.9
116.99471	1.0
117.07003	3.0
119.04973	1.2
119.08582	19.5
121.06500	100.0
121.10123	5.3
122.06770	1.0
123.04439	5.1
123.08078	5.3
123.11694	1.6
125.05971	3.5
127.07550	11.3
128.06227	3.2
129.07013	4.5
131.08562	4.6
133.06516	4.0
133.10123	9.4
133.29724	0.9
135.04425	5.9
135.08054	9.0
135.11673	2.5
137.05971	5.0
139.07536	19.9
141.05463	3.0
141.06964	1.5
142.07744	5.1
143.07253	1.4
143.08542	10.6
145.06462	1.1
145.10124	6.4
147.08043	4.7
147.11684	24.4
149.09619	0.9
149.13275	1.1
151.07558	1.6
155.08521	1.6
156.09360	3.9
157.06502	1.5
157.08719	1.2
157.10124	15.5
158.07230	0.9
159.08058	1.6
160.08844	1.1
161.06004	2.0
161.09666	1.6
161.13239	12.0
165.07004	2.1
165.12759	4.5
166.07747	4.1
171.08002	0.9
171.11682	16.8
173.09647	1.8
175.11176	16.7
179.14198	0.9
181.10136	5.3
184.08821	2.3
189.12735	21.1
191.10600	0.8
191.47955	0.8
193.12256	15.5
199.11176	29.3
207.13792	9.3
211.13295	1.2
216.28696	0.8
217.12228	82.0
218.12619	1.0
235.13260	29.9
235.16887	1.6
253.14326	14.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.1433
Annotation	3alpha-Hydroxyoreadone
Peak:m/z	Relative Intensity
53.03936	2.5
55.01868	9.3
55.05513	9.4
55.38031	1.7
57.07060	2.8
67.05497	16.8
68.24112	1.9
69.03413	3.2
69.07070	11.8
70.42928	6.8
71.04990	9.5
77.03972	1.7
79.05492	31.8
81.03396	2.5
81.07051	65.3
81.17501	2.1
83.04967	9.4
83.08597	5.2
85.06526	7.9
91.05483	18.9
93.07038	53.0
95.04964	18.9
95.08602	26.8
97.06520	17.1
98.98460	82.9
99.04443	10.4
103.05404	1.7
105.07032	32.8
107.04934	6.9
107.08592	29.7
109.06510	36.3
109.10142	7.3
111.08047	5.9
113.05999	4.5
116.99532	2.8
117.07001	3.7
117.26142	1.8
119.04931	4.5
119.08571	20.5
121.06498	100.0
121.10116	7.8
123.04460	3.1
123.08060	7.2
123.11726	4.5
125.05978	5.5
127.07516	20.4
128.06187	2.7
129.06985	7.3
130.01790	1.9
131.08539	5.6
133.06477	3.8
133.10121	16.7
135.04364	3.8
135.08040	14.5
135.11649	4.0
137.05972	4.1
139.07527	27.4
140.01071	1.7
140.10683	2.2
141.05470	2.9
142.07768	8.4
143.08566	12.8
145.10115	8.4
147.08002	4.1
147.11685	33.0
151.07559	2.6
155.08528	2.8
156.09308	4.4
157.10107	22.1
158.51575	2.0
159.11713	2.3
161.13248	10.6
163.14795	2.4
165.12737	7.6
166.07712	3.2
168.10210	2.3
168.13763	2.4
171.11676	19.4
173.09557	4.0
173.13263	2.2
175.11163	22.2
181.10103	6.6
184.08803	2.3
185.09221	2.2
189.12752	30.6
193.12221	15.7
196.13330	2.6
199.11180	33.2
207.13799	11.4
217.12231	95.4
235.13272	58.6
253.14388	18.7
253.17792	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	252.0864
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02369	0.6
52.13093	0.3
53.03940	3.4
54.34725	0.3
54.87763	0.3
56.96570	0.3
60.04507	0.9
65.03647	0.3
65.22609	0.3
69.64938	2.0
70.02961	0.7
77.03917	1.4
81.03392	0.5
85.02769	0.3
88.03979	2.4
95.04958	5.7
98.20850	0.6
98.98454	2.2
102.05522	6.2
105.03379	100.0
106.03695	0.9
130.04993	2.3
163.80576	0.3
170.19147	0.3
192.06522	2.2
206.08104	5.8
220.05925	1.6
232.75546	0.3
234.07597	1.2
252.08684	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.1281
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	0.9
55.05498	2.7
56.05037	1.1
56.96298	1.1
56.96559	14.4
57.03428	0.9
57.07069	1.9
60.04509	1.7
61.02907	2.3
66.16740	0.9
66.48409	0.8
67.05496	2.1
69.03439	4.7
69.07064	1.6
70.06577	3.0
70.98114	0.7
71.04970	1.3
71.51604	1.0
71.51988	1.0
71.95261	1.0
72.08144	2.4
73.02915	2.0
73.06536	3.6
81.03398	2.6
81.07053	2.5
81.68479	0.8
83.06055	0.7
84.04498	1.5
84.08127	5.3
84.96045	0.8
85.02895	11.3
85.06508	0.7
86.06039	0.8
86.09699	1.1
86.85155	0.7
91.05444	1.7
93.07030	2.5
95.04942	1.2
95.08617	2.0
97.02885	5.3
98.06022	1.0
98.97560	4.6
98.98460	100.0
99.04462	1.4
100.98975	0.9
101.00876	1.0
103.05448	3.5
106.05042	1.1
107.04926	1.0
107.08583	0.9
109.02888	1.4
109.06501	1.0
109.10166	1.2
110.07154	2.7
110.97598	1.0
112.07582	0.9
116.07053	0.8
116.98599	4.7
116.99483	4.7
119.01895	2.1
119.04934	0.9
120.08097	61.3
121.05101	1.0
121.08365	1.0
123.04430	1.2
127.03877	3.6
128.98615	1.3
129.10201	1.2
131.01042	0.9
133.06506	0.9
134.99606	3.5
135.11655	1.0
136.07533	1.2
141.05457	1.1
145.04959	1.5
146.99588	1.9
155.01862	1.0
155.04691	1.0
157.04887	1.0
158.99712	1.1
161.01231	1.8
166.04961	0.9
167.01747	0.8
169.06654	0.8
172.95250	0.9
174.99141	1.8
176.99007	1.3
177.00706	1.9
177.45435	0.8
180.56084	1.9
186.99150	1.1
188.03487	1.4
188.54947	3.3
195.11249	3.1
197.04036	1.0
197.11745	3.4
203.02284	1.5
205.00192	1.3
223.01144	1.1
248.99159	1.4
249.02684	1.4
253.11867	1.8
254.16078	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	252.0865
Annotation	Unknow
Peak:m/z	Relative Intensity
69.07050	1.2
70.06570	1.6
71.52621	0.7
71.53052	0.7
72.08137	1.1
77.66933	0.8
79.05492	1.8
84.08120	2.5
85.06542	0.8
86.09691	2.4
87.00822	2.0
91.05456	1.4
93.07036	2.5
95.08546	0.8
98.98459	32.5
99.04379	0.6
99.33592	0.7
103.05459	7.1
104.22126	0.7
105.03374	1.5
105.07021	2.2
106.07313	0.8
107.04996	0.7
115.41159	0.6
116.99526	1.3
118.06537	8.4
120.08098	100.0
121.08420	1.3
128.04958	0.9
129.10280	0.8
131.04880	0.9
132.08827	0.7
146.05989	20.5
161.06004	0.7
164.07014	1.1
166.08630	2.1
174.99265	1.0
188.07060	16.3
188.08768	0.8
192.06674	1.3
206.08113	56.4
207.08302	0.9
234.07701	1.1
234.11238	0.9
252.08893	0.8
252.12357	2.0
252.16084	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.2003
Annotation	roughanic acid
Peak:m/z	Relative Intensity
53.03933	1.9
55.01867	45.0
55.05509	36.2
57.03434	2.9
57.07075	10.7
67.05501	49.1
69.03427	2.7
69.07057	14.5
71.04970	4.5
71.08608	1.5
71.26376	1.7
71.26711	1.7
79.05486	24.3
81.06594	2.0
81.07053	39.6
83.04979	7.6
83.08617	8.0
85.06527	4.1
91.05476	10.8
93.07039	35.0
95.04958	2.9
95.08601	27.2
97.06521	2.9
97.10162	12.4
98.98458	100.0
99.08073	1.9
105.07015	5.7
107.08590	21.1
109.06485	1.5
109.10149	24.1
111.08068	4.5
113.09586	1.2
116.99497	2.7
117.07011	3.1
119.08555	5.1
121.10131	16.5
123.08012	1.5
123.11688	9.9
125.09615	45.0
127.11139	1.4
131.08591	5.8
133.10101	5.0
135.07991	6.0
135.11681	14.8
137.09599	3.7
137.13213	2.3
139.11160	1.4
145.10103	2.6
147.11603	1.8
149.09569	6.1
149.13223	4.8
151.11200	1.9
153.09091	1.5
153.12729	5.1
159.11703	3.8
163.11157	2.7
163.14778	1.6
167.10634	1.7
173.13260	2.2
174.99191	2.0
177.12828	1.4
181.12193	1.4
191.17990	5.6
205.19514	6.9
215.17944	5.7
223.20694	2.3
233.18932	9.5
251.20030	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	251.2004
Annotation	roughanic acid
Peak:m/z	Relative Intensity
53.03941	1.2
55.01868	10.0
55.05505	9.3
57.07068	5.1
65.03938	1.0
67.05501	29.8
69.07063	21.6
69.65541	5.2
71.04981	1.9
71.08616	1.0
79.05022	0.9
79.05488	23.0
81.07050	29.1
81.07526	1.5
83.04968	3.1
83.08617	5.9
83.39478	0.8
85.06566	1.3
85.10204	0.9
91.05473	5.6
93.07037	30.7
93.51825	0.7
95.04960	2.3
95.08598	19.4
95.09175	1.3
97.06548	3.9
97.10156	3.2
98.98460	100.0
99.08080	1.0
105.06360	0.7
105.06978	3.7
107.04955	0.9
107.08587	17.1
109.06517	1.4
109.10149	15.8
111.08090	2.4
111.11704	1.2
116.99499	3.2
117.07035	0.8
119.08590	3.1
121.06490	1.0
121.10136	26.3
123.08123	1.2
123.11695	8.8
125.06023	1.0
127.11182	1.1
131.08548	2.3
133.10146	2.3
135.08038	1.6
135.11684	16.0
137.13249	1.7
139.07532	1.9
139.11169	12.5
140.01103	2.0
140.59686	0.7
145.10121	2.0
147.11647	1.8
149.09676	1.6
149.13248	7.2
153.09128	1.0
159.11656	2.2
163.11150	1.2
163.14801	1.9
166.02269	0.7
167.10710	1.1
173.13220	0.9
174.99223	2.6
191.17862	1.0
205.19495	17.3
215.17987	5.4
218.74950	0.7
233.19008	7.4
251.05367	0.8
251.16476	0.8
251.17497	0.9
251.20052	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	251.1277
Annotation	Lachnumfuran A
Peak:m/z	Relative Intensity
53.03934	2.5
54.85651	0.8
55.01858	3.6
55.05512	4.4
57.03430	1.4
57.07047	1.1
60.48935	0.7
65.03925	1.1
67.05492	10.2
69.03421	4.2
69.07051	6.1
70.44769	1.6
70.45136	1.5
71.04995	6.7
79.05489	21.0
81.03410	1.1
81.07051	45.3
83.04980	4.0
84.08141	0.8
85.06527	1.0
91.05476	15.8
93.07035	25.9
95.04964	13.7
95.08610	9.8
97.02891	2.4
97.06541	7.3
98.98460	100.0
99.04456	4.4
103.05427	1.7
105.03379	2.7
105.04493	1.2
105.07024	23.8
107.04946	9.0
107.08587	12.9
109.06513	34.3
109.07275	1.7
109.10133	4.6
111.04420	1.8
111.08041	3.7
113.05972	1.9
115.05427	2.5
116.99494	2.9
117.07014	8.0
119.04936	14.2
119.08562	5.3
121.06491	17.6
121.10155	5.0
123.04426	2.7
123.08057	1.7
123.11720	1.5
125.05998	4.5
127.07553	4.8
128.06181	1.6
129.06999	2.5
130.07771	2.8
131.04910	1.4
131.08559	9.7
133.06496	6.2
133.10097	3.4
135.04430	1.5
135.08029	5.1
135.11673	7.6
137.05969	37.3
137.09604	0.9
137.13245	0.9
139.07510	7.4
140.01094	0.8
141.06947	2.4
143.08566	2.5
144.09297	3.0
145.06497	4.7
145.10115	29.3
147.08070	1.2
147.11671	2.5
149.05945	0.9
149.13249	1.3
154.07765	2.5
155.08525	3.2
157.08597	2.9
157.10039	1.7
158.07243	3.0
159.08040	3.5
159.11681	13.8
161.05946	2.5
161.13257	1.4
163.07483	1.1
163.11179	12.9
167.08521	0.9
169.10092	6.0
171.08098	1.2
171.11697	3.2
172.08829	1.6
173.05966	1.0
173.09601	15.0
174.99197	3.3
177.08916	0.9
177.12761	1.8
178.07664	1.1
179.08586	5.2
181.06418	1.2
181.12228	10.7
182.07253	2.6
187.11162	27.0
189.12756	1.4
190.07887	0.9
190.63358	0.8
191.08502	1.1
191.09044	1.2
191.10690	8.7
191.17892	1.1
193.08617	2.9
197.09615	12.2
205.08562	1.8
205.12213	8.3
205.15768	0.8
215.10669	37.6
219.07959	0.9
227.12717	1.3
233.08093	1.0
233.11708	21.2
233.15321	1.4
233.19072	0.9
236.08414	0.9
251.10599	2.3
251.12772	15.1
251.16440	2.7
251.20116	2.6
252.12250	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	249.1847
Annotation	4Z,7Z,10Z,13Z-hexadecatetraenoic acid
Peak:m/z	Relative Intensity
53.03948	3.6
55.01874	12.0
55.05508	12.5
57.07073	6.3
63.38069	2.1
65.03961	2.1
67.05502	30.3
69.03421	2.4
69.07063	17.7
71.08633	2.0
79.05494	24.0
81.07050	64.7
83.04970	4.4
83.08614	5.9
85.02866	1.9
85.06526	2.9
91.05470	15.6
93.07039	22.6
95.04942	5.2
95.08595	24.9
97.06516	4.5
99.08107	3.7
105.07034	18.8
107.08585	22.4
109.06496	17.0
109.10143	14.2
111.04428	16.5
111.08012	3.0
119.08577	22.2
121.10136	18.8
123.08065	8.8
123.11694	8.1
125.05994	11.8
128.06198	2.2
129.97443	2.0
131.08537	4.5
133.10115	14.1
135.08066	7.8
135.11636	10.0
137.05968	100.0
137.13264	4.0
139.11226	2.2
142.07704	2.5
143.08545	2.9
145.10098	3.1
147.08046	6.4
147.11679	16.8
149.09633	5.7
149.13231	5.5
150.82159	2.0
151.07539	3.9
151.11180	3.7
157.10146	5.6
160.08888	1.9
161.09584	18.6
161.13281	8.3
163.11192	8.0
163.14883	2.9
165.09126	3.2
166.26970	2.1
171.11723	3.2
175.11176	12.7
175.14934	3.0
179.10696	6.6
179.14351	2.9
185.13228	2.5
189.12733	5.7
189.16406	3.0
193.12254	2.7
203.14236	2.7
203.17924	20.5
205.19412	2.4
213.16377	6.9
221.19025	6.4
231.17487	20.9
231.21109	5.0
243.36034	2.2
249.07440	8.2
249.11276	3.3
249.14722	2.7
249.18486	26.7
249.22186	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	251.1276
Annotation	Lachnumfuran A
Peak:m/z	Relative Intensity
53.03931	2.0
55.01860	2.3
55.05505	3.6
57.03409	0.9
57.07066	0.7
57.07589	0.7
59.05001	1.1
67.05500	7.6
69.03417	3.6
69.07064	2.8
69.96178	1.6
69.96577	2.1
70.06583	0.7
71.04990	4.6
79.05487	8.3
81.03429	1.4
81.07047	11.0
83.04964	1.3
85.06527	2.1
88.77238	0.7
91.05465	8.3
93.07038	17.6
95.04958	7.9
95.08600	7.4
97.02897	0.8
97.06519	6.0
97.12885	0.7
98.98460	100.0
99.04455	2.3
103.05431	1.5
105.07021	14.9
107.04945	4.4
107.08598	5.0
109.06518	8.9
109.10146	2.8
111.04440	1.3
111.08082	4.4
113.06004	1.0
113.37138	0.8
115.05428	1.8
116.99509	3.5
117.07036	5.1
119.04932	3.7
119.08566	5.0
121.06496	10.1
121.10169	3.4
123.04469	0.8
123.08069	1.5
125.05967	1.3
127.07570	2.1
128.06213	1.1
129.07008	3.2
130.07770	1.9
131.08575	8.1
133.06490	3.5
133.10118	3.0
135.08083	1.7
135.11722	1.7
137.05988	3.7
137.11746	0.8
139.07489	7.1
141.06963	2.0
143.08548	1.7
144.09340	2.7
145.06464	3.8
145.10106	18.8
147.11644	2.1
149.09560	1.5
149.13239	0.9
151.07536	2.0
154.07750	1.7
155.08522	0.9
157.08603	5.0
157.10298	0.8
158.07233	1.9
159.08067	2.3
159.11688	11.4
161.06006	1.2
161.13321	1.0
161.99844	0.8
163.07518	1.3
163.11166	3.9
169.10133	5.4
172.08905	1.5
173.05972	1.1
173.09615	7.4
174.99234	3.2
177.09212	0.9
177.12706	1.6
179.08556	1.8
182.07239	0.8
187.11174	22.6
187.14789	1.9
188.11565	1.1
189.12712	0.9
191.10593	5.8
193.08687	1.0
197.09567	7.1
203.27490	0.7
205.08661	1.1
205.12233	7.9
215.10669	21.6
215.17989	1.5
233.11691	9.0
233.15433	1.8
233.19218	1.1
251.10793	1.0
251.12747	5.1
251.16405	2.1
251.20085	1.5
252.12492	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.112
Annotation	Mycorradicin
Peak:m/z	Relative Intensity
53.03948	0.7
55.01862	1.2
55.05500	0.8
56.55593	0.4
64.30098	0.5
65.03921	0.7
67.05497	1.9
69.03408	1.7
69.07054	0.8
71.21815	0.4
71.52840	0.6
72.70710	0.4
79.05470	1.4
81.03421	0.8
81.07051	1.4
83.04926	0.6
84.03122	0.5
85.02882	0.9
91.05472	9.9
93.07041	2.1
93.48731	0.4
95.04952	1.3
95.08598	1.0
97.02882	1.0
97.06545	0.4
99.04427	0.7
103.05452	1.7
105.07031	5.8
107.04957	3.0
107.08576	1.6
109.06484	0.6
109.10130	0.8
111.08075	0.6
115.05453	6.4
116.06234	4.0
117.07021	3.5
119.04926	0.6
119.08567	1.8
120.08151	0.6
121.06491	1.5
121.10175	1.0
123.08055	0.6
127.03850	0.6
127.05421	0.4
127.52313	0.5
128.06224	10.1
129.06999	21.6
130.07762	1.5
131.04941	2.7
131.08557	19.4
132.05675	1.0
133.06491	3.3
133.10149	2.5
135.04335	0.7
135.07956	0.6
135.11679	0.5
137.09578	0.5
141.06985	10.6
142.07774	5.3
143.04956	0.7
143.08537	4.2
144.05701	11.0
145.06461	5.5
145.10121	0.8
146.07265	3.2
147.04402	1.5
147.08044	1.2
147.11649	1.4
152.06206	1.3
153.06943	2.4
155.06047	1.5
156.05666	1.9
157.06471	9.5
157.10086	1.0
158.07260	2.1
159.04419	0.9
159.08044	29.4
159.11659	0.7
160.05162	2.0
160.08780	0.8
161.05962	3.9
161.09592	7.7
167.04944	0.5
167.07016	0.9
169.06410	1.8
169.07675	2.8
170.07257	7.8
171.04391	1.1
171.08040	7.3
172.05205	3.5
173.05956	4.8
174.06741	2.7
175.07558	3.2
177.05453	1.1
178.06232	0.7
184.05167	0.6
185.05946	1.2
186.06685	0.8
187.07520	17.1
188.08231	1.5
189.05457	3.3
189.09094	10.1
189.12682	0.6
189.16420	0.6
190.06245	1.4
191.07007	1.8
193.08578	0.8
193.12369	0.5
198.06732	1.4
199.07495	3.2
201.05449	1.8
203.07030	6.6
204.07805	13.5
205.08647	2.2
206.09288	1.2
207.10120	0.4
216.07793	4.3
217.08588	1.2
218.09328	1.8
219.10143	1.9
221.08107	0.9
221.11682	2.8
231.10165	6.9
234.08958	0.9
249.11201	100.0
249.18413	1.7
250.11647	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	249.112
Annotation	Microhelenin E
Peak:m/z	Relative Intensity
51.18391	0.6
55.01866	0.6
57.03434	0.8
58.05202	0.6
62.85521	0.7
62.85870	0.6
67.05487	1.0
69.03423	1.6
70.23161	1.3
70.23543	1.9
72.82436	0.6
79.05483	1.1
91.05466	8.6
93.07044	0.6
103.05452	1.1
105.07013	3.8
107.04932	2.3
107.08577	0.6
111.04468	0.7
115.05442	5.6
116.06201	4.6
116.06871	0.5
117.07040	2.9
119.04907	0.8
119.08578	0.9
121.02859	1.5
121.06532	0.6
121.10128	0.7
127.05396	0.7
128.06206	10.6
129.06996	24.1
131.04922	3.4
131.07599	1.2
131.08554	21.0
132.05679	1.1
133.06482	2.5
133.10123	1.3
141.06984	11.1
142.07779	4.6
143.04944	0.8
143.08557	5.2
144.05688	10.5
145.06496	6.8
146.07242	3.4
147.04401	1.5
147.08070	0.8
150.95988	0.7
152.06165	1.1
153.06976	2.5
155.06038	0.8
156.05659	1.9
157.06483	11.5
158.07236	2.1
159.04326	0.8
159.08047	30.1
160.05174	1.3
161.05992	4.5
161.09622	8.9
167.07010	1.6
169.06393	1.5
169.07675	2.8
170.07254	9.8
171.04361	1.2
171.08037	7.7
172.05185	3.7
173.05965	4.0
174.06712	2.6
175.07570	3.1
176.25644	0.6
178.06258	1.0
185.05937	1.1
186.06747	1.0
187.07521	17.6
188.08246	1.1
189.05510	3.7
189.09058	9.2
190.06267	1.6
191.06981	0.9
192.07747	0.9
193.08644	0.8
198.06746	1.5
199.07507	2.6
201.05437	2.2
203.06993	7.1
204.07806	13.0
205.08575	2.0
206.09319	0.9
207.10291	0.7
216.07822	4.5
217.08510	0.9
218.09349	1.3
219.10110	2.2
221.08131	1.0
221.11690	3.0
231.10152	7.2
234.08891	0.8
249.11198	100.0
250.11542	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.0603
Annotation	Unknow
Peak:m/z	Relative Intensity
50.11545	3.7
53.03939	8.1
55.01860	9.9
55.05503	11.8
57.03423	11.5
59.04996	4.2
61.02910	4.5
67.05499	23.4
69.03422	74.6
69.07053	8.8
70.06596	4.5
71.04986	13.4
71.44717	9.1
73.02927	4.8
79.05486	12.4
81.03419	41.6
81.07049	29.0
85.02901	76.4
86.09692	4.6
87.00819	38.9
87.04466	4.8
90.25005	3.9
91.05476	28.6
93.07038	31.5
95.04969	28.3
95.08598	25.8
97.02877	45.0
97.06545	5.4
99.04430	23.8
101.02385	6.1
103.05453	5.0
105.01848	16.2
105.07017	25.8
107.04981	5.3
107.08585	24.0
109.02855	26.7
109.06522	13.0
109.10135	10.9
111.08085	4.5
115.05441	24.2
116.06233	4.9
117.07034	31.8
119.08569	20.9
120.08157	4.9
121.02874	5.1
121.06506	11.8
121.10129	17.6
123.07055	3.9
123.07980	8.8
123.11696	4.3
127.03897	63.3
128.06255	8.1
129.01793	4.5
129.07043	21.9
129.94473	4.1
131.04849	5.7
131.08585	26.1
133.06480	7.9
133.10121	17.8
133.76898	4.1
135.04436	6.5
135.08034	9.2
135.11617	4.3
141.06985	7.5
142.07826	9.6
143.08536	13.8
144.05719	8.0
145.05038	6.4
145.06462	32.6
145.10100	10.1
146.07193	5.9
147.08037	8.5
147.11697	9.8
149.09598	7.7
155.06003	6.4
157.06474	7.1
157.10083	10.0
159.04378	6.1
159.08022	32.3
159.11661	7.9
161.05925	9.0
161.09586	12.9
161.13266	5.2
170.07268	7.8
171.08038	8.7
171.11703	5.3
173.05939	13.2
173.13220	8.1
175.07532	7.6
187.07530	16.7
189.05458	16.8
189.09106	8.5
189.12677	5.0
189.16353	7.7
190.05997	4.6
199.07576	4.6
203.06950	8.2
204.07841	8.7
205.08557	5.6
213.16386	6.6
217.05003	13.4
231.10106	8.0
231.13811	11.2
231.17450	8.4
249.07578	12.4
249.11176	100.0
249.14922	13.0
249.18440	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	249.0755
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01592	0.3
51.02368	0.7
53.03942	3.9
55.01858	0.7
56.85274	0.2
61.02914	0.5
69.03420	24.0
70.06593	0.2
70.77251	0.6
77.03925	0.7
79.05482	0.8
81.03409	8.2
83.01335	0.5
85.02890	0.4
86.09718	0.3
88.66006	0.2
91.05482	0.5
93.07079	0.2
95.04955	6.3
97.02870	4.3
99.04453	1.6
105.03378	100.0
105.54453	0.2
106.03692	1.1
109.02860	3.5
110.07160	0.4
111.04395	0.3
115.05449	0.6
123.04417	0.7
127.03899	11.2
127.07716	0.2
129.06960	0.4
135.24088	0.2
143.04915	0.6
145.06519	0.3
156.07715	0.3
161.06010	0.6
161.09691	0.3
171.04393	0.3
175.07530	0.5
179.06961	0.3
203.07001	1.1
231.06448	0.3
249.07552	7.8
249.11305	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.1119
Annotation	Mycorradicin
Peak:m/z	Relative Intensity
54.23714	0.4
55.01842	1.5
55.05494	1.2
56.69877	0.5
57.03402	0.9
59.63042	0.4
60.89233	0.5
66.97346	0.5
67.05479	3.3
69.03405	2.2
69.07044	0.9
71.04975	0.8
71.52528	0.8
73.58261	0.5
74.89210	0.4
79.05485	2.8
81.03407	1.4
81.07040	3.3
83.04934	0.8
83.08670	0.6
84.08144	0.6
85.02892	2.0
86.09720	0.5
87.86877	0.5
91.05472	8.7
93.07021	3.4
95.04961	2.8
95.08588	2.6
97.02886	2.4
97.06506	0.6
99.04433	0.8
99.08092	0.7
103.05426	1.3
105.07024	5.8
107.04918	4.8
107.08571	2.8
109.06503	1.1
109.10158	1.1
110.07156	0.5
113.83462	0.5
115.05451	5.8
116.06206	4.6
116.09785	0.5
117.07002	3.8
118.07786	1.1
119.04975	0.5
119.08579	2.7
121.06477	1.5
121.10113	2.0
123.11744	0.6
125.81241	0.5
127.03877	1.5
128.06213	12.2
129.06026	1.2
129.06990	22.1
130.07758	1.2
131.04906	1.9
131.08549	20.2
132.05667	1.4
133.06474	4.1
133.10114	3.1
135.04387	1.5
135.08054	1.4
135.11642	0.8
137.09554	0.6
141.06967	10.1
142.07770	4.6
143.04890	0.8
143.08530	5.1
144.05695	10.5
145.06476	6.7
145.10085	2.1
146.07242	2.8
147.04372	1.7
147.08017	1.6
147.11638	2.0
149.05916	0.9
149.13190	0.5
152.06194	0.8
153.06946	1.8
155.06030	1.4
156.05663	2.2
157.06468	10.6
157.10059	1.2
158.07243	2.4
159.04471	0.8
159.08035	28.9
159.11659	1.1
160.05141	1.7
160.08765	0.8
161.05972	4.9
161.09601	9.1
163.11072	0.8
165.07043	0.7
167.06998	1.2
169.06439	1.4
169.07712	2.6
170.07236	7.8
171.04407	1.4
171.08018	6.8
172.05173	4.1
173.05963	4.8
174.06671	2.6
175.07550	3.0
177.05482	0.9
178.06187	0.9
184.05193	0.9
185.05966	1.4
185.09581	0.8
186.06688	0.6
187.07529	19.4
188.04530	0.6
188.08237	1.4
189.05473	4.8
189.09105	8.3
189.16336	1.1
190.06201	1.6
191.07047	1.7
192.07811	0.6
193.08572	1.2
198.06728	2.2
199.07573	3.2
201.05376	2.0
203.07019	7.0
203.10561	0.9
203.14272	0.7
204.07797	14.1
205.08592	2.3
206.09404	1.0
213.12807	0.5
216.07791	3.9
217.08540	1.4
218.09387	1.3
219.10025	2.4
221.08035	1.5
221.11740	4.2
231.10107	7.4
231.13800	1.0
231.17346	1.1
234.08957	0.8
249.11197	100.0
249.18240	3.5
250.11543	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.0369
Annotation	Unknow
Peak:m/z	Relative Intensity
68.75524	9.2
69.03429	13.7
71.51926	15.6
72.08125	12.4
73.02872	10.0
73.30855	9.4
75.75317	8.7
78.04500	9.0
91.88420	9.3
94.93002	31.2
95.05055	11.7
97.02917	11.6
98.97577	55.9
99.20023	8.8
101.00890	21.1
103.00616	25.0
113.10729	10.2
116.98608	36.3
119.01902	33.6
121.01663	44.5
131.01935	18.1
133.01636	16.2
137.51874	13.7
143.01871	14.8
146.46402	9.6
147.01450	11.5
147.03198	50.0
173.01402	12.1
173.02994	20.5
175.02734	30.4
177.00697	22.7
187.04541	11.4
191.02190	11.0
219.01707	19.0
231.03461	13.5
249.03716	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.0603
Annotation	Unknow
Peak:m/z	Relative Intensity
50.11545	3.7
53.03939	8.1
55.01860	9.9
55.05503	11.8
57.03423	11.5
59.04996	4.2
61.02910	4.5
67.05499	23.4
69.03422	74.6
69.07053	8.8
70.06596	4.5
71.04986	13.4
71.44717	9.1
73.02927	4.8
79.05486	12.4
81.03419	41.6
81.07049	29.0
85.02901	76.4
86.09692	4.6
87.00819	38.9
87.04466	4.8
90.25005	3.9
91.05476	28.6
93.07038	31.5
95.04969	28.3
95.08598	25.8
97.02877	45.0
97.06545	5.4
99.04430	23.8
101.02385	6.1
103.05453	5.0
105.01848	16.2
105.07017	25.8
107.04981	5.3
107.08585	24.0
109.02855	26.7
109.06522	13.0
109.10135	10.9
111.08085	4.5
115.05441	24.2
116.06233	4.9
117.07034	31.8
119.08569	20.9
120.08157	4.9
121.02874	5.1
121.06506	11.8
121.10129	17.6
123.07055	3.9
123.07980	8.8
123.11696	4.3
127.03897	63.3
128.06255	8.1
129.01793	4.5
129.07043	21.9
129.94473	4.1
131.04849	5.7
131.08585	26.1
133.06480	7.9
133.10121	17.8
133.76898	4.1
135.04436	6.5
135.08034	9.2
135.11617	4.3
141.06985	7.5
142.07826	9.6
143.08536	13.8
144.05719	8.0
145.05038	6.4
145.06462	32.6
145.10100	10.1
146.07193	5.9
147.08037	8.5
147.11697	9.8
149.09598	7.7
155.06003	6.4
157.06474	7.1
157.10083	10.0
159.04378	6.1
159.08022	32.3
159.11661	7.9
161.05925	9.0
161.09586	12.9
161.13266	5.2
170.07268	7.8
171.08038	8.7
171.11703	5.3
173.05939	13.2
173.13220	8.1
175.07532	7.6
187.07530	16.7
189.05458	16.8
189.09106	8.5
189.12677	5.0
189.16353	7.7
190.05997	4.6
199.07576	4.6
203.06950	8.2
204.07841	8.7
205.08557	5.6
213.16386	6.6
217.05003	13.4
231.10106	8.0
231.13811	11.2
231.17450	8.4
249.07578	12.4
249.11176	100.0
249.14922	13.0
249.18440	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	248.0808
Annotation	Unknow
Peak:m/z	Relative Intensity
51.97067	1.7
53.03937	4.9
55.01865	2.8
55.05511	2.3
56.05023	2.7
56.93682	1.5
56.96562	91.6
57.03422	4.7
58.96165	2.3
60.04515	2.1
61.02916	2.9
65.03941	1.8
67.05499	18.3
69.03435	9.0
69.96622	4.0
69.97020	4.8
70.06581	9.8
70.98101	2.4
71.05003	1.8
71.95251	2.4
72.08155	4.3
72.93819	1.8
73.02897	5.4
74.06031	2.0
74.97593	6.4
77.00896	2.4
79.05485	2.8
81.03398	4.1
81.07050	2.1
84.04478	3.5
84.08145	21.9
84.96009	14.0
85.02887	12.8
86.09702	10.8
87.04453	2.1
87.10023	3.6
91.05472	2.9
94.06025	2.8
94.06564	32.5
95.04952	2.9
95.84019	1.6
96.08191	2.2
97.02875	10.0
98.97580	35.4
100.99141	4.2
101.00845	3.3
104.33134	1.8
106.06595	8.5
106.07212	1.7
107.04930	2.7
109.02908	2.4
110.07160	9.4
110.97573	2.7
112.07582	2.2
113.98656	3.4
116.98611	35.8
119.00156	3.6
119.01913	12.1
119.04874	2.4
120.02004	4.0
121.01697	2.4
122.06020	28.6
124.02797	1.8
124.99105	3.2
127.03914	2.2
128.98615	3.9
129.10223	6.5
130.08647	4.0
131.01880	6.4
131.99718	8.7
133.01672	4.2
134.99648	39.7
137.02953	4.3
140.07069	2.6
143.00175	10.1
143.01874	4.4
144.98068	6.2
145.03476	3.3
146.03491	2.0
146.99649	10.8
147.11226	2.2
149.01167	2.4
150.00772	10.5
150.05492	100.0
151.05783	3.4
153.00671	5.9
156.07687	2.3
157.03459	4.0
158.01198	2.2
158.04938	2.1
158.99651	6.6
161.01204	30.7
161.02863	5.0
161.05713	2.0
162.01605	2.0
162.03117	1.8
162.99161	12.5
163.02649	2.7
163.99434	2.4
165.00702	3.4
167.05492	2.0
168.06633	9.4
170.05153	2.3
171.05008	3.0
173.03017	3.6
174.03053	2.5
174.99193	3.6
177.00763	11.1
178.01120	2.2
179.02263	6.7
181.00148	6.5
181.03645	2.8
182.00549	2.0
183.01543	1.8
183.03935	1.9
189.04286	4.3
193.00226	3.7
199.04431	4.3
202.05861	2.8
204.05124	3.4
205.00215	6.9
206.00412	4.2
207.05278	4.3
208.99719	4.8
222.48921	1.9
223.01221	15.2
224.01570	14.0
224.08037	3.8
225.04266	2.4
229.99628	2.3
230.01984	2.1
230.07031	4.4
237.02823	2.3
239.76514	1.8
248.03148	31.7
248.05565	2.4
248.08183	12.6
248.16258	2.4
248.99130	2.4
266.08972	2.7
267.00214	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	247.2054
Annotation	(S)-Panaxjapyne A
Peak:m/z	Relative Intensity
51.31192	0.6
51.54901	0.6
52.11769	0.6
52.18251	0.6
53.03937	3.4
55.01873	2.4
55.05509	12.0
56.96554	1.5
57.03434	3.4
57.07078	3.7
65.03935	2.6
67.05499	40.0
69.03431	1.3
69.07061	8.9
69.87411	3.2
70.76568	0.6
71.04978	2.3
79.05485	35.8
81.03400	3.1
81.07047	100.0
82.07391	1.1
83.04968	3.9
83.08601	3.6
85.06540	2.4
91.05467	13.9
93.07036	23.9
95.04964	8.5
95.08598	18.7
97.06522	3.4
97.10150	1.6
98.97607	0.6
99.08087	2.7
105.07018	11.2
107.04961	3.1
107.08582	19.7
109.06506	33.3
109.10140	8.0
111.08083	1.3
117.07003	5.8
119.08568	12.6
121.06496	2.7
121.10125	15.6
123.08074	4.3
123.11686	8.7
125.09619	1.1
128.06233	1.0
131.08556	8.1
133.06454	1.0
133.10112	7.9
135.08043	6.6
135.11673	7.2
137.09605	4.1
143.08539	1.8
145.10117	7.9
147.08057	0.8
147.11671	7.4
149.09613	2.9
149.13245	7.6
151.11160	2.5
157.10097	0.9
159.11688	6.6
161.13226	4.0
163.11162	2.4
163.14789	2.8
165.12750	1.9
169.05135	1.4
173.13235	5.7
175.03906	2.6
175.14807	2.9
177.12666	2.8
177.16391	0.8
178.05730	0.7
179.14301	0.6
187.07579	0.7
187.11194	1.1
187.14836	5.1
189.09085	0.6
189.16394	1.2
191.14307	2.4
201.12785	0.7
201.16350	1.1
203.18016	0.8
205.15895	1.2
205.19530	1.0
213.23953	0.8
219.06505	0.6
219.21030	1.1
229.08472	0.7
229.12286	1.0
229.19470	11.2
241.97722	0.6
247.05917	0.8
247.09596	1.7
247.16791	1.3
247.20549	43.4
248.20882	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.2055
Annotation	Unknow
Peak:m/z	Relative Intensity
50.29548	1.6
51.70102	1.3
53.03948	3.0
55.01863	3.4
55.05512	9.5
55.81619	1.4
57.03430	4.6
57.07062	2.6
67.05134	2.0
67.05496	41.7
67.05839	2.8
67.20241	1.3
69.07071	9.0
71.04979	3.5
71.52385	1.8
79.05480	31.0
81.03419	1.8
81.07046	100.0
82.66299	1.4
83.04955	3.4
83.08620	4.0
85.06538	2.7
91.05489	12.8
93.07033	21.0
95.04949	7.4
95.08595	19.1
97.06512	3.3
97.10194	1.6
98.20841	1.8
99.08070	2.8
105.07012	11.1
107.08576	15.0
109.06498	31.2
109.10132	5.2
117.06990	3.2
119.08538	8.0
121.06500	3.6
121.10124	13.6
123.08054	4.9
123.11681	8.5
129.06953	1.7
131.08566	10.1
133.10118	8.2
135.08015	3.4
135.11667	8.4
137.09622	5.3
145.10136	8.9
147.04379	1.5
147.11688	6.6
149.09538	1.8
149.13261	7.3
151.11058	2.0
159.11662	5.4
161.13248	3.9
163.11288	1.8
163.14790	1.7
173.13246	5.5
175.03926	5.7
175.14818	2.2
177.12671	2.5
183.11684	2.1
187.11125	4.2
187.14844	4.3
189.08939	1.7
189.16290	2.4
201.12798	1.9
203.17917	1.4
205.15997	1.6
229.12265	2.9
229.19569	7.8
247.05786	2.5
247.09752	6.0
247.13362	3.8
247.16901	4.5
247.20552	36.6
247.24446	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.2053
Annotation	(S)-Panaxjapyne A
Peak:m/z	Relative Intensity
53.03933	2.3
53.66417	1.0
54.45720	1.2
55.01854	3.9
55.05239	1.8
55.05501	25.5
57.03415	2.4
57.07054	1.8
59.04999	1.5
65.03912	1.2
67.05498	17.4
69.07053	5.2
69.67088	1.1
71.04977	2.9
71.52771	1.4
79.05479	35.3
79.75386	1.2
81.06603	1.4
81.07043	15.9
83.04960	4.5
83.08618	5.9
85.06523	1.4
91.05468	10.8
93.07031	21.5
95.04932	3.8
95.08588	10.6
95.80653	1.3
97.10167	6.3
105.07012	9.8
107.04940	38.5
107.08577	18.2
109.06463	2.7
109.10140	6.9
115.05415	1.4
117.06992	3.4
119.08574	8.1
121.06474	2.7
121.10117	13.1
123.08019	2.1
125.09563	1.8
125.99040	1.3
127.47887	1.0
131.08543	8.3
133.10103	7.0
135.08028	1.2
135.11664	4.2
143.08540	2.4
145.10095	5.1
147.04395	1.5
147.11690	3.2
149.09599	100.0
149.13260	2.3
150.09924	1.3
150.86536	1.1
159.07980	1.2
159.11633	4.2
161.13239	2.7
163.11159	3.2
163.14745	1.7
173.13208	2.0
175.03877	4.6
177.12737	2.7
187.11200	2.4
189.09164	1.8
189.16373	1.7
201.12711	3.3
205.15958	1.2
229.08530	2.3
229.12262	3.8
229.19472	4.2
232.12505	1.5
247.05989	2.0
247.09668	4.0
247.13319	2.3
247.16791	2.3
247.20535	83.4
248.21034	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.1439
Annotation	Unknow
Peak:m/z	Relative Intensity
51.95763	0.6
55.05502	0.6
57.07068	1.5
58.55783	0.6
59.27789	0.5
59.47091	0.5
60.08158	65.6
66.28825	0.5
69.03441	0.6
69.71874	0.6
70.58383	0.5
71.41483	0.9
72.08137	3.3
76.64500	0.6
79.69893	0.6
81.07058	1.0
84.08157	0.6
85.02885	0.6
86.09707	1.2
91.05480	2.4
103.05489	0.9
115.05462	2.0
117.05710	0.9
117.07040	2.2
118.06527	35.3
119.08537	0.8
120.08121	3.7
125.07924	0.6
127.03947	0.7
128.06178	0.6
129.06950	0.9
131.08592	0.9
142.06520	3.2
143.07338	4.1
143.08363	0.9
144.04469	1.1
144.08070	18.2
145.06427	1.0
145.10085	1.0
146.05995	85.2
147.06331	1.4
147.11592	0.7
156.08110	1.0
160.07590	1.6
162.11624	0.9
170.05988	6.8
175.03850	1.1
187.07567	0.7
187.11176	1.3
188.07045	100.0
189.07408	1.2
189.09029	0.7
201.12648	1.1
205.04802	0.6
229.12241	1.8
247.09656	1.1
247.14467	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	247.0423
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01852	1.2
55.05493	1.4
56.96565	6.8
57.03400	1.0
58.99863	1.5
61.84684	0.9
69.03417	2.3
70.06562	2.1
71.01347	0.9
71.04572	1.2
71.04890	1.5
72.08155	13.2
74.21400	0.8
77.00896	1.7
81.03407	1.1
81.07016	1.1
82.52846	0.9
82.99835	1.4
84.04491	1.3
84.08152	1.1
85.01376	2.6
85.02888	3.9
86.09700	14.0
88.03954	1.1
89.37442	0.8
93.07021	1.1
97.02893	2.1
98.97589	1.1
101.00874	23.1
103.00631	4.2
103.02438	9.7
105.00340	1.3
105.06994	1.0
110.02299	0.8
113.00854	2.3
115.02441	1.2
117.03985	1.7
119.01915	70.1
120.01982	1.6
121.01652	14.6
121.02485	1.7
121.03452	9.2
127.02379	7.1
127.03870	1.4
128.06250	1.4
130.08557	1.0
131.01912	12.8
133.01628	4.5
133.03456	3.1
134.99721	1.0
135.05020	1.6
137.02940	12.0
139.02676	2.2
142.03494	2.7
143.01857	2.1
143.08585	1.0
144.97998	1.1
145.01617	2.4
145.03453	68.2
146.03618	1.1
146.99648	0.9
147.01363	4.1
147.03152	4.5
148.06046	2.4
149.02908	5.6
151.02782	1.1
155.01868	14.6
157.01656	4.1
157.03442	3.5
159.01334	1.1
159.03160	3.0
161.02924	6.2
162.99120	2.1
163.02695	4.2
163.04506	13.7
165.04214	1.2
167.03145	1.6
168.05061	2.6
171.01425	9.5
173.02956	38.5
173.04535	2.1
175.00873	2.7
175.02672	6.1
175.03883	1.2
181.00125	1.1
181.01666	1.2
183.11586	1.3
185.02914	1.2
187.02637	9.0
188.09160	1.0
189.02444	15.4
189.09010	1.3
191.03922	1.7
193.80818	0.9
196.04591	2.0
199.00844	4.1
199.02745	3.5
201.00676	1.3
201.02394	3.3
201.12479	1.9
203.03943	1.6
205.03680	4.5
212.03952	1.5
212.07581	1.6
215.00369	2.3
217.01915	31.2
217.03859	1.6
219.03485	1.7
221.05115	1.3
223.04791	3.2
224.04053	1.2
229.03185	31.9
229.12103	1.4
235.02980	7.9
247.04242	100.0
247.13287	3.2
247.18494	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	246.0646
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05478	4.3
56.96563	53.3
60.04496	4.9
65.00087	3.5
69.03389	10.5
70.06566	15.3
71.17258	6.0
71.17614	3.1
72.04482	4.2
72.08154	21.4
74.06013	3.5
81.03406	6.2
81.08656	3.2
84.04498	8.7
84.08131	30.7
85.02888	8.8
86.09677	11.5
88.03976	4.3
96.04475	6.2
97.02869	10.1
98.97567	12.0
100.07589	8.8
102.05561	5.2
107.04887	4.8
112.07579	12.1
114.06655	3.7
116.32543	3.5
116.98570	14.5
117.10253	5.0
117.97075	3.0
117.98000	18.5
117.98747	3.7
118.65395	3.3
119.01840	9.1
120.02042	8.6
125.69118	3.7
128.98592	4.4
129.10214	13.7
130.08627	23.4
134.99637	6.2
140.11540	3.9
145.03416	3.5
146.99634	6.4
147.11275	8.6
156.03291	45.4
162.03021	7.4
168.03271	10.5
174.00604	18.9
174.04388	84.3
175.04230	3.4
175.11891	4.9
186.04376	100.0
192.01593	21.6
192.05475	21.9
197.55385	5.0
204.01622	14.2
204.03665	4.9
204.05457	99.2
209.05986	5.5
219.01578	5.6
222.06482	4.7
227.07047	6.1
228.05421	51.4
241.00110	4.2
246.02826	4.0
246.06657	49.5
246.15654	7.7
246.18100	15.7
269.08066	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	247.0126
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05485	0.5
56.38428	0.6
56.96561	100.0
62.17859	0.5
64.22454	0.5
65.62293	0.4
69.03427	0.6
69.65369	2.8
70.06590	0.7
70.21793	0.5
70.97733	1.1
70.98114	15.7
71.95257	1.0
72.08163	0.8
74.97596	5.7
74.97933	0.5
78.16284	0.5
84.08148	0.7
84.96048	5.5
85.02896	0.9
86.09724	1.0
86.97577	2.4
88.99154	6.9
92.98670	0.8
97.02871	0.8
97.99196	0.8
98.97576	4.3
100.99137	6.9
107.00201	2.6
110.97580	4.3
112.95469	1.1
115.00698	0.6
116.98614	4.3
117.06948	0.7
119.00179	7.5
119.01924	1.5
121.01663	0.9
126.97042	1.2
128.98604	8.9
130.96504	3.2
131.08540	0.8
133.01726	6.8
134.99644	2.7
137.01180	1.8
143.00133	0.8
143.01958	0.6
144.98070	27.3
145.03465	0.8
145.06497	0.6
146.99641	6.9
148.97563	5.1
151.02751	2.0
153.00676	0.8
155.04604	0.8
158.99628	0.8
161.01205	3.2
162.99130	39.8
165.00716	0.9
166.98659	1.8
173.02879	0.6
174.99185	1.1
177.00702	1.6
177.04404	0.6
179.02257	1.0
181.00180	16.4
186.00818	1.1
186.99060	2.6
199.01225	2.0
201.12796	0.6
204.01859	1.1
205.00175	29.6
219.01788	0.6
223.01236	65.8
224.01682	0.5
224.98047	0.6
228.01764	1.9
229.05464	0.5
229.12404	0.6
241.02309	10.0
246.02962	2.3
247.01167	1.5
247.04619	0.9
247.13162	0.6
265.02280	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.1858
Annotation	H-ILE-LEU-OH
Peak:m/z	Relative Intensity
51.86371	0.3
54.60498	0.3
55.05512	0.7
56.05007	0.5
57.05798	0.4
58.06582	0.4
65.91929	0.3
69.03423	0.5
69.06677	0.6
69.07063	11.3
70.06572	0.7
71.04968	0.6
71.19314	0.3
71.51954	0.4
71.52345	0.3
72.08123	0.7
79.05473	0.3
81.07056	0.5
83.04992	0.7
84.04491	0.6
84.08125	1.4
85.02895	0.6
86.09698	100.0
87.10032	0.4
91.05479	0.7
93.07073	0.7
95.04975	0.3
97.02892	0.5
105.03358	0.5
105.07050	0.4
107.08572	0.3
119.01891	0.5
121.10145	0.4
129.06966	0.4
129.10219	0.4
132.10173	1.5
142.03177	0.4
143.08525	0.4
144.08128	0.3
145.03439	0.3
157.06487	0.5
161.05952	0.4
173.02951	0.4
175.07570	0.5
199.17961	0.4
200.08894	0.3
217.08630	0.4
221.05099	0.6
245.05055	1.1
245.08163	1.4
245.13359	0.7
245.15826	0.6
245.18581	3.3
258.61050	0.3
259.85703	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.1859
Annotation	Ile Ile
Peak:m/z	Relative Intensity
51.50780	0.2
61.84388	0.3
69.07054	0.4
69.54829	2.1
71.04988	0.3
79.05470	0.3
84.08141	0.7
86.09699	100.0
87.10039	0.4
98.20845	0.4
105.07034	0.3
105.64404	0.3
115.86585	0.3
121.90180	0.3
129.06972	0.3
129.10262	0.4
132.10196	3.6
162.40111	0.3
199.18062	1.4
230.02336	0.3
245.04645	0.4
245.11504	0.3
245.18607	3.2
245.20952	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.2263
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	8.3
57.02333	2.2
57.07071	5.5
59.65448	1.8
59.96190	1.8
67.05497	10.9
69.07058	14.4
69.87670	10.1
75.23367	1.8
79.05478	6.8
81.07050	25.7
83.08605	8.8
91.05454	5.1
93.07048	11.6
95.08603	28.5
97.10149	5.3
100.16836	2.2
105.07032	13.8
107.08582	22.3
107.16892	2.0
109.10159	18.8
119.08591	19.1
119.82819	1.9
121.10133	20.9
123.11706	10.9
133.10100	17.4
135.11676	14.3
137.13286	9.4
145.10060	2.7
147.11647	16.1
149.13245	15.8
161.13237	15.4
163.14796	20.6
175.14822	22.2
177.16501	2.6
187.14821	3.3
189.16371	23.0
203.17955	9.3
228.46393	2.1
245.22646	100.0
249.68401	2.0
256.86932	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	245.1381
Annotation	9-Hydroxyhexylitaconic acid
Peak:m/z	Relative Intensity
52.89528	3.5
55.01871	20.9
55.05516	7.2
59.74845	3.8
67.05501	13.5
69.07082	20.9
69.40955	36.7
71.04996	4.4
79.05499	11.0
81.07061	22.8
83.04985	4.0
85.06538	10.7
86.09715	8.0
91.05476	10.4
93.07020	22.0
95.05006	4.5
95.08617	25.7
97.06507	15.5
97.10191	5.2
99.04479	7.3
105.07012	25.7
107.08588	45.4
109.06501	15.5
119.08595	6.0
121.06511	8.1
121.10135	16.5
123.08064	9.5
131.08533	6.4
133.10135	7.7
135.11671	7.8
143.08626	6.6
145.10078	10.2
147.11685	5.3
149.09631	4.9
151.07550	8.7
157.10126	15.4
159.11766	5.6
163.11140	31.6
167.10670	18.2
168.74380	4.0
169.08589	100.0
170.08817	4.7
181.12228	22.0
185.13298	6.5
191.10654	8.7
217.05046	5.4
227.12758	15.8
245.04350	9.7
245.15276	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	245.0506
Annotation	Unknow
Peak:m/z	Relative Intensity
53.25484	0.8
54.76850	0.9
55.01847	1.3
55.05502	1.6
56.05012	1.1
56.96560	37.7
57.03411	1.5
58.06583	1.2
58.99855	1.5
60.95836	1.8
61.02905	1.8
68.05025	0.8
68.98246	1.0
69.03425	6.4
70.06569	2.7
70.25968	1.5
70.26366	2.0
70.98100	2.6
71.04992	2.1
71.95255	4.8
72.08136	5.2
72.96025	1.5
73.02907	1.6
73.08435	1.0
74.06059	1.3
74.28252	0.9
74.97596	1.0
77.00899	2.1
81.03423	4.4
82.99853	2.6
83.04963	1.6
84.04493	2.7
84.08139	5.9
84.96025	3.0
85.02895	3.4
86.06052	2.7
86.09696	4.8
86.99316	2.3
88.99135	1.1
95.01919	1.2
95.13761	0.9
97.02879	9.2
97.99155	0.9
98.97572	24.3
99.04458	1.0
101.00867	27.3
102.00965	1.3
102.96865	6.1
103.00596	1.3
103.02434	1.3
105.00341	2.1
109.01360	1.0
109.02905	1.1
110.97562	2.1
112.05051	1.4
112.74617	0.8
113.00859	4.2
113.03471	6.3
115.02439	2.9
116.07047	1.0
116.97819	1.8
116.98616	22.8
117.04005	1.2
118.00346	1.1
118.01112	1.5
119.01910	96.2
120.01995	3.3
120.97906	5.9
121.00903	1.1
121.01639	6.2
121.03484	0.9
122.37427	0.8
124.95470	3.1
127.02473	1.0
127.03888	2.4
128.10690	1.8
128.98576	2.6
129.03979	1.8
129.10234	2.1
131.00229	1.0
131.01900	23.2
131.99675	0.9
133.01712	1.3
133.03448	7.3
134.99640	17.0
137.02943	25.9
138.01807	2.1
138.98952	3.7
139.02614	2.5
141.03990	1.3
142.03467	3.4
142.96481	5.7
143.00116	1.4
143.01886	25.4
145.01732	1.2
145.03455	21.8
146.99623	2.3
147.01369	3.3
147.04984	2.8
149.01208	1.7
149.02933	4.6
150.00743	1.4
153.00661	2.3
155.01868	12.1
156.02696	2.0
157.03447	19.5
158.08093	2.3
158.99617	1.1
159.04968	2.4
160.04460	1.3
160.97565	3.3
161.02945	100.0
162.03046	2.5
162.99200	1.0
163.04483	5.6
163.54607	0.9
165.00743	1.3
167.01895	3.0
169.03416	2.2
170.95996	2.6
171.05005	3.1
173.01405	1.9
173.02940	26.4
174.97583	2.5
174.99141	2.7
175.02962	1.6
175.04494	13.6
175.10757	1.2
177.00790	1.2
177.02576	1.0
178.01053	2.0
179.00688	17.4
179.02214	1.0
179.04028	6.0
181.01820	1.3
181.09691	1.0
184.04572	4.1
184.97572	1.4
185.02931	24.5
187.04492	12.6
188.97057	15.5
189.00677	1.1
189.06075	1.7
190.98550	0.9
191.02260	1.4
191.03943	5.4
192.98706	2.0
193.00217	3.3
196.04521	1.2
197.02933	14.5
199.04541	4.9
202.98801	6.2
203.00648	1.5
203.02271	2.3
203.03996	18.8
205.05534	1.4
206.98112	14.0
209.03136	0.9
215.04033	7.9
217.01956	1.2
217.05588	5.5
219.01929	1.5
219.03871	2.5
220.99657	4.5
221.01768	19.2
221.05011	12.9
222.02509	1.0
224.99155	1.2
227.00656	1.3
227.03973	3.7
227.10274	1.6
230.97981	2.1
233.05052	2.0
239.00676	1.0
244.03360	1.2
245.01984	3.7
245.05037	75.2
245.11031	4.2
245.14963	3.0
246.05202	1.5
248.99077	1.4
262.99442	3.2
263.02863	64.0
263.06067	13.7
264.03058	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.0504
Annotation	Unknow
Peak:m/z	Relative Intensity
56.10959	0.3
56.96532	0.3
56.97713	0.3
67.61228	0.2
69.03407	1.0
70.50019	1.0
77.00916	0.3
79.38078	0.3
81.03406	0.8
82.99841	0.7
86.99314	0.5
97.02876	1.7
97.39806	0.2
98.97540	0.4
99.04383	0.4
101.00862	7.5
102.96835	0.8
103.00605	0.8
105.00339	0.6
107.21713	0.3
108.97265	0.3
113.00861	0.9
115.02422	0.8
118.03520	0.3
119.01909	31.0
120.01998	1.7
120.97859	0.7
121.00862	0.6
121.01649	6.5
121.02445	0.5
121.03473	0.3
127.02393	0.6
127.03924	0.7
127.18404	0.3
131.01886	4.5
133.03436	1.3
136.99623	0.5
137.02940	8.8
138.03040	0.6
138.98973	0.6
139.02687	2.6
142.03444	0.5
143.01883	7.3
145.03442	4.6
147.01294	0.4
147.04994	0.6
149.06570	0.5
155.00659	0.8
155.01874	1.7
157.02232	0.5
157.03456	5.5
159.01527	0.4
159.05013	0.4
160.99590	1.0
161.02940	32.3
162.03128	0.7
163.04506	1.4
167.01932	0.5
167.99315	0.4
169.03444	1.0
171.04939	0.5
173.02946	5.1
175.04526	4.1
177.00914	1.4
177.02481	0.5
178.01016	1.7
179.00682	24.9
179.03923	1.8
180.00783	0.7
184.04485	1.3
184.99715	0.4
185.02951	5.1
187.04492	3.3
189.06082	0.5
191.02498	0.4
191.03937	1.9
195.03922	0.7
197.02992	2.4
199.04486	1.5
201.02644	0.3
202.02438	0.5
203.00682	1.4
203.03963	4.7
215.03967	2.0
215.29443	0.3
217.05551	2.2
219.01927	0.6
219.03827	3.9
220.02037	2.1
221.01749	27.6
221.05157	1.5
222.01819	2.1
223.01614	0.3
227.00612	1.4
227.03989	1.2
233.04974	0.8
242.73862	0.3
244.03345	0.7
245.01865	6.1
245.05031	19.1
245.12230	1.1
246.05322	0.7
261.03094	0.8
263.02841	100.0
264.03015	3.2
265.03342	0.4
268.03452	0.6
268.06674	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.1589
Annotation	Unknow
Peak:m/z	Relative Intensity
50.57858	1.0
55.01859	2.8
55.05491	5.2
55.93505	1.2
56.96542	3.2
57.07061	4.5
59.04998	2.7
61.02916	3.6
67.05486	8.0
69.03416	7.3
69.07055	11.8
70.06576	5.0
70.54328	4.4
71.04971	2.8
72.08130	1.9
72.93792	1.2
73.02914	1.7
73.40871	1.1
79.05475	10.5
81.03397	3.2
81.07043	17.4
83.04970	4.5
84.04495	2.6
84.08134	31.2
85.02894	3.0
85.06548	3.3
86.09673	3.4
87.04462	9.5
90.94804	1.7
91.05459	6.8
93.07032	12.0
95.04956	100.0
95.08595	26.6
97.02862	5.8
97.06503	15.9
98.97576	3.8
99.04464	1.7
99.08119	1.4
105.03336	1.2
105.07008	15.2
107.04953	1.9
107.08572	5.2
109.06528	9.6
109.10138	6.8
111.08051	3.9
113.05997	3.1
115.03950	6.0
115.07565	5.2
116.98548	2.6
117.07005	2.3
119.01900	1.6
119.04919	1.4
119.08591	9.2
121.06458	6.0
121.10120	11.1
123.08057	11.7
125.05966	4.5
131.07021	2.0
131.08563	3.6
133.06447	2.1
133.10112	8.5
134.99683	1.5
135.11655	2.3
137.05965	3.5
139.07539	1.8
139.11171	4.9
141.06888	1.3
141.09120	2.9
143.07059	3.8
143.08562	2.3
145.10059	3.2
147.11644	9.4
149.09608	2.2
151.07524	8.7
156.09302	2.1
159.10162	9.3
159.11566	2.7
161.09579	1.7
161.13268	4.8
165.07034	1.9
169.08586	25.4
171.11684	5.2
175.11772	1.3
177.00655	1.8
177.12730	9.8
183.08009	2.5
185.07114	1.3
187.09659	13.5
189.12738	4.8
197.03783	2.1
197.05963	1.4
207.13831	5.2
211.07469	1.2
215.06923	1.7
215.13972	1.3
219.01643	1.2
222.05029	1.3
222.08272	2.3
225.14821	20.1
243.06487	1.4
243.10176	1.7
243.15784	36.8
243.20958	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.0504
Annotation	Unknow
Peak:m/z	Relative Intensity
54.96715	0.5
55.05494	0.9
56.96564	7.1
57.03401	0.7
58.99852	3.1
61.02922	0.9
61.67440	0.6
67.49858	0.6
68.98293	2.0
69.03404	3.0
70.06570	0.7
70.99852	2.6
71.04989	0.8
71.52479	0.8
72.08141	2.7
73.02924	1.1
77.00906	2.7
81.03410	2.7
82.99865	2.6
84.04477	0.9
84.08139	2.0
85.02888	2.5
85.94439	0.6
86.06049	1.4
86.09695	0.8
86.99345	3.3
89.00888	2.2
95.01947	1.0
97.02892	4.9
98.97569	1.3
100.11242	1.0
100.99146	1.5
101.00867	38.8
102.00932	0.9
103.02439	1.7
105.00376	3.1
107.01981	0.6
109.02872	2.5
113.00850	5.6
115.02407	4.8
119.01906	100.0
120.01981	3.2
121.01556	0.7
121.03473	1.2
123.01450	0.6
127.02427	4.0
127.03860	0.9
128.98561	1.2
129.03970	2.7
129.10248	1.4
131.01892	27.0
132.01993	1.8
133.01643	1.1
133.03439	6.5
137.00829	0.8
137.01877	0.6
137.02084	0.4
137.02946	15.2
138.01788	1.5
139.02399	2.0
142.03409	3.0
143.01888	18.3
144.98117	0.7
145.03445	27.4
146.03462	0.6
146.99638	1.1
147.01396	3.8
147.03195	1.0
147.05003	2.1
149.02919	3.6
149.28841	0.7
151.04491	0.9
154.04703	1.5
154.54788	2.9
155.01866	31.3
155.04556	1.1
156.01953	1.4
157.03459	20.9
157.11877	0.8
161.02939	36.4
162.03139	0.9
162.99158	1.2
163.04442	5.8
163.55292	0.7
165.00676	0.7
167.01883	10.8
169.03445	3.1
171.01286	0.9
171.04999	6.0
173.02945	46.3
174.03050	4.2
175.04514	8.1
177.02458	0.7
178.03456	1.1
179.01830	4.5
179.04062	1.1
181.03427	1.3
183.01711	0.8
184.02159	0.7
184.04506	1.3
185.02936	77.8
186.03180	2.1
187.02931	1.0
187.04504	8.1
189.02487	0.8
189.06070	1.1
190.98579	2.4
191.03914	3.0
192.06584	0.9
196.04547	1.5
197.02936	28.9
197.04761	1.6
198.03273	0.8
199.04472	1.2
202.98671	0.6
203.03976	24.3
204.04181	1.4
205.05566	0.9
208.04472	3.1
208.99670	3.3
215.03967	8.9
217.01932	1.0
217.05626	0.8
220.04448	0.9
221.05042	18.7
222.05214	3.2
226.05623	1.3
227.03964	4.4
228.08549	1.4
233.05019	0.7
240.06369	1.8
245.05025	43.1
245.11446	2.5
263.05975	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	241.1947
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.6
55.05508	9.4
57.07071	7.1
59.58813	1.3
67.05489	6.7
69.07066	10.1
69.21186	18.4
75.66252	1.3
79.05474	6.7
79.95471	1.3
81.07030	5.3
83.08600	6.0
91.05463	11.4
93.07014	4.6
95.08590	6.2
105.07034	8.7
107.08572	3.5
115.05460	2.3
117.07011	38.5
119.08564	6.9
121.10126	4.5
123.61134	1.6
128.06181	5.3
129.07004	21.1
130.99309	1.7
131.08562	41.8
133.10104	7.7
135.11703	1.5
141.06979	2.6
142.07736	5.1
143.08543	30.3
145.10124	18.3
147.11668	9.6
150.88193	1.7
155.08516	1.9
156.09384	3.1
157.10118	22.0
159.11682	41.7
161.13237	3.5
169.10153	3.0
171.11668	26.6
173.13246	38.5
183.11670	1.6
184.12354	1.6
185.13248	31.3
187.14786	4.5
195.06389	2.2
199.14819	37.5
213.08975	1.5
213.16367	5.0
241.08571	3.0
241.19504	100.0
242.19815	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	243.0199
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96569	0.4
62.08094	0.1
69.87504	0.6
73.22462	0.1
82.99879	0.2
90.44090	0.1
91.76154	0.1
98.97560	1.8
101.00874	2.7
101.01499	0.2
116.98601	1.7
118.03510	0.1
119.01910	13.0
120.02007	0.3
122.97787	0.2
132.84909	0.1
134.99796	1.6
136.16760	0.1
137.02940	3.6
140.98833	0.4
142.03490	0.3
153.00906	0.6
158.99841	1.4
165.99545	0.2
175.03006	0.3
177.00937	25.0
178.01024	1.2
179.01331	0.1
182.98524	0.1
182.99713	0.6
186.47502	0.1
193.04066	0.5
195.01958	0.6
197.00653	0.1
197.02795	0.2
199.02934	0.2
200.02521	0.4
201.00871	1.6
201.02464	0.3
215.01625	0.2
217.04060	3.4
217.06142	0.2
218.03691	0.4
219.01985	28.8
220.02118	3.1
221.01797	0.7
223.99956	0.1
225.00815	2.3
234.00693	0.3
236.99551	0.2
237.02945	0.2
238.03185	0.1
242.03546	0.8
243.01927	7.5
244.01962	0.3
260.04404	0.1
261.03033	100.0
262.03156	4.5
263.03372	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.1543
Annotation	Pirbuterol
Peak:m/z	Relative Intensity
53.39651	0.2
55.05492	0.2
55.22690	0.2
56.96578	0.4
57.03423	0.4
58.06594	20.5
61.02893	0.3
69.03403	0.7
69.74651	0.4
69.75062	1.0
70.06590	3.3
71.04973	0.3
72.08131	0.8
73.02892	0.4
74.02454	0.2
81.03403	0.8
84.08131	11.1
85.02887	0.8
85.06507	0.5
97.02876	0.8
98.06026	0.5
98.09678	1.5
98.21454	0.3
98.97611	0.2
99.04425	0.3
100.11217	0.3
101.00882	0.6
109.70188	0.3
113.00839	0.3
114.05484	0.5
115.02325	0.3
119.01880	0.7
126.05515	0.4
126.09160	0.3
128.10718	3.8
131.01865	0.7
133.03461	0.4
137.05942	0.3
142.91753	0.2
144.10170	1.7
145.03452	0.3
149.02896	0.3
152.10698	0.3
155.01923	0.4
157.03467	0.7
159.04977	0.4
160.01297	0.3
160.04721	0.7
161.02911	0.4
161.05533	1.1
166.72867	0.3
168.10156	1.0
169.05371	0.3
170.06119	0.5
173.02982	0.3
173.62389	0.3
175.04591	0.4
183.42561	0.3
185.02858	0.3
196.09653	5.2
203.04080	0.4
213.15958	0.7
241.15440	100.0
242.15804	1.7
257.16638	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.1546
Annotation	Unknow
Peak:m/z	Relative Intensity
52.40759	0.2
53.03937	0.3
55.01854	0.2
55.05498	0.8
56.96561	4.1
57.03417	0.3
58.06594	18.8
65.73943	0.2
69.03417	0.9
69.07045	0.4
70.06243	0.4
70.06582	3.5
70.77336	0.6
70.77683	0.3
71.95243	0.3
72.08157	0.5
73.02920	0.4
73.06551	0.4
77.45358	0.2
81.03399	0.9
81.55792	0.3
84.08138	9.4
85.02898	1.0
85.06535	0.3
86.09644	0.4
95.99725	0.2
97.02880	0.9
98.06075	0.5
98.09692	1.8
98.97574	9.4
99.04447	0.3
100.11238	0.4
101.00857	0.3
110.07140	0.2
110.97545	0.4
114.05482	0.4
116.07063	0.4
116.10704	0.3
116.98609	7.5
119.01895	1.1
126.05541	0.3
126.09141	0.3
128.10707	4.4
128.98582	0.3
131.01904	0.6
133.03493	0.3
134.99638	6.0
137.02939	0.3
143.01822	0.3
144.10207	1.4
145.03461	0.4
146.99582	0.4
147.03105	0.4
147.05804	0.4
152.10722	0.4
153.00684	0.9
153.05423	0.3
155.04634	2.2
157.03542	0.2
158.01208	0.5
158.08099	0.3
158.99675	0.3
160.04744	0.6
161.01195	0.6
161.02972	0.5
164.05177	1.2
164.07028	0.6
168.10176	1.0
173.02953	0.4
174.97697	0.2
177.00752	0.6
182.03351	0.3
185.02863	0.3
187.02730	0.3
192.98682	0.4
196.09657	5.4
210.02715	0.3
210.04704	0.3
213.16046	0.4
216.98421	0.3
217.05544	0.4
219.01772	0.6
221.05064	0.3
234.99786	0.7
237.02759	0.5
241.15445	100.0
242.10188	0.3
242.15775	1.2
245.05003	0.3
258.99695	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	240.1228
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	0.4
55.01867	0.4
55.05500	0.4
65.03916	0.5
69.07030	0.5
69.68140	2.7
72.47184	0.4
74.48369	0.3
78.04712	0.4
79.05486	0.8
81.03407	0.5
81.07039	0.9
82.07383	0.6
83.04923	0.3
84.04485	0.4
84.08110	0.4
91.05468	8.3
92.06255	0.8
92.14541	0.3
93.07050	2.6
95.04937	2.3
100.79616	0.4
103.05441	1.6
105.03356	1.0
105.06992	0.6
106.04147	1.0
107.04903	0.6
109.06496	0.8
110.03627	0.5
111.04472	0.5
119.04919	3.4
120.05713	2.4
121.06490	22.9
122.06789	0.5
123.04395	1.0
123.08066	0.5
125.05983	4.7
131.04915	0.7
133.02837	2.2
134.04674	0.3
135.08029	0.4
137.05962	2.0
138.06602	0.3
145.06493	0.4
147.04414	1.2
148.05150	2.5
148.07616	0.4
149.05974	4.7
151.03877	4.6
153.09056	1.3
162.06746	3.2
165.05493	0.5
166.06244	20.4
166.08624	1.5
167.06923	0.5
180.06331	0.4
181.08572	100.0
182.08855	1.7
190.06207	2.1
190.08690	0.4
193.04968	0.4
198.11223	11.3
198.70413	0.3
205.08539	0.4
208.07278	1.3
222.11209	2.5
223.09627	24.2
224.10051	0.9
229.89856	0.4
234.84007	0.4
240.06592	0.9
240.12271	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	241.1432
Annotation	(+)-7alpha,8alpha-Epoxyblumenol B
Peak:m/z	Relative Intensity
51.12938	2.6
55.01857	5.2
55.05508	26.5
56.79397	2.8
57.03417	3.1
57.07057	10.2
57.30283	2.5
58.49493	2.7
59.04981	9.9
64.48792	2.5
67.05499	23.0
69.03420	84.2
69.07065	49.2
70.73254	6.3
70.73589	3.9
71.04969	4.0
79.05475	12.2
81.07045	40.4
83.04502	3.5
83.04971	50.5
83.08609	25.3
85.06532	28.8
87.04459	25.3
88.13424	2.7
91.05465	12.9
93.06478	5.2
93.07030	70.2
95.04953	8.9
95.08595	39.2
97.06523	25.7
99.08085	15.6
101.06009	25.1
105.07005	9.0
107.08580	26.1
107.94658	3.0
109.06523	15.2
109.10139	6.7
111.08068	66.7
111.47056	2.7
115.03933	16.2
115.07577	8.9
117.06975	4.5
118.75031	3.1
119.08546	8.8
121.06477	11.9
121.10137	12.0
123.08013	4.4
125.05959	2.7
129.05464	45.1
129.09091	37.2
133.10130	16.5
135.08008	6.0
135.11665	17.5
139.07516	17.3
143.07018	23.5
144.09340	4.3
149.05948	3.6
149.13260	10.2
151.11160	12.0
157.08572	44.3
159.11726	15.2
177.12675	22.0
185.08070	6.8
195.13802	37.5
205.12177	4.8
223.13281	12.3
241.14319	100.0
242.14522	3.4
261.01700	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	241.1432
Annotation	5OH-HIP
Peak:m/z	Relative Intensity
53.03927	6.4
55.01859	5.1
55.05507	14.8
56.05019	3.3
56.96555	8.5
57.03433	4.0
57.07067	3.7
59.04987	3.1
60.04522	3.0
61.02902	2.8
65.03925	3.5
67.05492	15.0
69.03426	30.7
69.07056	11.8
70.06567	6.8
71.04966	9.3
71.32489	2.8
71.32816	2.9
72.08148	4.9
79.05476	10.6
80.04242	2.3
81.03400	3.5
81.07052	17.5
83.04982	20.7
83.08612	3.5
84.04488	3.0
84.08118	8.0
85.02897	6.5
85.06538	5.0
85.21627	2.3
86.09727	5.5
87.04453	4.9
91.05479	28.9
93.03736	5.8
93.07036	80.3
95.01320	11.6
95.04961	22.3
95.08614	12.2
97.02856	7.5
97.06520	10.5
98.97575	42.5
99.04444	24.0
99.08053	2.6
103.05434	3.5
105.03349	4.0
105.04478	3.8
105.07020	18.4
106.03691	4.1
107.04930	10.3
107.08556	14.1
108.06538	2.6
109.06498	18.1
109.10149	11.1
110.07167	6.3
110.97523	3.4
111.08075	12.1
116.98611	30.9
117.07001	8.9
119.04863	3.5
119.08593	13.7
120.08066	2.7
121.06496	100.0
121.10127	14.3
123.04418	5.0
123.08054	10.3
125.05903	6.2
125.09599	5.4
127.07550	7.4
129.06990	5.0
129.10194	4.8
130.07721	2.5
131.08565	5.9
133.10118	10.0
134.99648	14.7
135.04324	3.5
135.08031	8.4
135.11659	7.0
136.07527	3.2
137.05980	4.5
137.09612	11.6
139.07529	25.2
140.63487	2.3
144.09344	2.8
144.40681	2.4
145.10098	7.0
146.99593	3.4
147.08055	4.6
149.05939	6.1
149.09622	22.4
149.13242	2.4
151.11131	3.0
152.06108	2.9
153.09087	3.9
155.10703	4.1
157.08591	8.3
158.99638	19.5
159.08116	3.5
159.11673	17.0
161.01282	2.5
161.09612	13.0
163.03822	3.9
163.11189	13.8
165.09091	5.1
167.03346	2.6
167.07016	8.9
172.08850	6.0
175.11163	7.1
177.00687	21.2
177.12711	8.4
179.10657	6.7
181.04886	3.9
181.08536	5.4
187.11148	10.2
191.06424	3.3
193.12175	6.3
195.01933	2.9
195.06581	3.3
195.13770	3.2
196.06006	3.9
205.12207	22.6
206.06941	5.1
212.07283	2.5
213.08940	2.8
219.01724	4.7
221.07478	11.9
223.05893	4.4
223.13281	17.3
230.08031	32.2
232.76532	2.9
241.09888	2.4
241.14322	8.4
241.58957	4.3
242.08163	3.3
253.00879	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	240.1227
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	1.1
55.01852	0.7
57.03424	0.4
61.23676	0.3
65.03918	0.5
67.05500	0.6
69.03394	0.5
69.07038	0.5
69.91040	0.3
70.06570	0.4
71.53067	0.4
75.12314	0.3
78.04687	0.4
79.05485	1.1
81.03402	0.4
81.07046	0.7
83.04963	0.4
86.09692	0.8
91.05470	8.4
92.06252	0.6
93.07034	3.3
94.07368	0.5
95.04948	1.6
98.97614	0.5
100.05257	0.3
101.06014	0.4
103.05453	1.3
105.03362	0.9
105.07017	0.8
106.04169	1.2
107.04937	0.6
107.08578	0.4
109.06509	0.6
110.03645	0.6
111.08091	0.4
116.98613	0.4
119.04939	4.1
119.08527	0.5
120.05726	2.9
120.08076	0.3
121.06495	24.1
122.06828	0.6
123.04400	0.8
123.08051	0.5
124.08405	0.3
125.05974	4.9
131.04929	0.6
133.02818	1.8
134.03584	0.5
134.07207	0.4
134.09641	1.3
135.04388	0.5
135.08083	0.4
137.05963	2.3
138.06813	0.5
139.07552	0.5
145.06410	0.5
147.04404	2.6
148.05191	3.3
148.07570	0.3
148.11942	0.4
149.05981	4.7
149.09615	0.7
150.09958	1.9
151.03885	5.6
153.09085	1.4
158.10526	0.4
158.15480	0.3
162.06761	3.0
162.08957	0.4
165.05510	0.6
166.06247	21.4
166.08623	1.8
167.06973	0.7
173.05954	0.4
176.11526	0.7
181.08578	100.0
182.08939	2.1
190.06311	1.6
190.08675	0.6
193.04977	0.5
194.12454	0.5
198.11246	11.0
204.10143	0.9
208.07315	1.5
222.11259	3.6
223.09641	24.8
224.09969	0.7
240.06557	0.9
240.12317	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	240.0178
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01846	1.1
55.05501	2.9
56.05042	1.2
56.96558	100.0
59.04985	1.4
61.02899	1.4
64.95561	1.1
67.05489	3.6
69.03406	3.5
69.07043	2.0
70.06570	3.0
70.98113	17.7
71.04977	2.9
71.52116	1.1
71.91869	1.0
71.95239	1.4
72.08135	1.7
73.02922	1.0
74.97592	3.1
81.03408	1.2
81.07041	2.2
84.04483	2.9
84.08133	8.2
84.96025	2.1
85.02897	4.3
85.06533	2.6
86.06013	1.2
86.09676	1.1
88.99145	10.4
91.05474	2.5
95.04930	1.3
95.06088	1.2
95.08569	1.6
97.02872	4.3
97.99178	1.6
98.97571	11.6
99.04468	1.2
107.00176	3.8
107.04958	1.3
110.06020	4.0
110.07173	1.4
110.97561	1.3
112.07568	1.2
113.06051	1.0
115.00691	3.8
116.98607	11.9
119.01864	2.7
119.04955	1.1
120.08095	2.7
123.06763	1.0
124.99072	3.1
128.98608	2.7
129.10220	4.3
130.08569	1.7
133.01686	4.6
134.01184	1.2
134.99623	9.0
136.06166	1.8
137.05968	1.6
143.00146	20.1
145.01688	2.5
146.99661	2.0
147.04388	2.4
149.01216	2.1
150.00787	1.2
150.05484	3.8
152.02240	1.1
152.07065	1.2
155.04651	3.0
158.06621	1.2
158.99619	2.9
161.01201	69.9
162.99150	1.1
163.02751	4.1
164.05121	1.4
166.01707	1.0
168.03564	1.0
168.05180	1.0
173.01215	3.9
174.00647	1.9
174.04399	2.3
176.07086	1.7
177.00677	4.9
179.02264	18.1
181.03769	1.2
184.02802	4.6
186.04338	1.7
189.00613	1.6
191.02252	20.5
191.03761	1.3
192.91121	2.5
192.98744	1.3
194.08130	4.5
194.11714	1.9
198.99059	1.0
199.03987	1.6
204.05397	1.3
207.01649	1.4
208.04810	1.1
209.03300	7.5
210.92200	3.1
214.03746	2.2
216.02931	1.1
216.11302	0.9
217.00285	5.2
217.05273	2.8
219.01720	2.2
230.03462	1.4
234.92194	2.6
235.01245	10.5
237.02740	2.5
240.06459	2.3
240.08563	3.1
240.12253	3.8
241.15451	1.6
258.02750	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.2368
Annotation	Bombykol
Peak:m/z	Relative Intensity
50.53255	0.6
53.00317	0.9
53.03942	0.9
55.05508	26.0
57.03430	0.7
57.07071	100.0
58.07412	0.7
58.56673	0.5
65.03930	1.5
67.05501	53.5
69.07064	26.2
71.05007	1.6
71.08627	62.6
72.04520	3.0
72.08953	0.9
74.85270	0.5
79.05478	4.9
81.07050	56.7
83.08612	29.5
83.09119	0.9
85.06541	2.8
85.10176	32.4
88.02213	1.6
89.06023	1.5
91.05495	0.8
93.07052	3.2
95.08600	78.3
96.08976	0.6
97.10159	13.6
99.08086	1.8
105.07021	0.8
109.10145	25.8
111.11707	1.7
117.36566	0.6
123.11687	9.7
123.12485	1.0
125.13221	0.8
132.25105	0.7
133.08658	0.6
137.13240	2.5
142.67645	0.7
151.14793	1.8
169.10141	0.9
183.06625	1.2
183.11656	1.1
192.91603	0.6
197.13239	1.2
219.78340	0.6
230.31485	0.7
239.12651	1.4
239.17950	2.1
239.23619	2.2
257.64954	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.1639
Annotation	Unknow
Peak:m/z	Relative Intensity
50.30953	0.8
55.05506	1.9
57.07058	3.6
61.69512	0.8
62.96422	0.8
67.05495	2.2
69.03413	0.9
69.07048	2.5
71.04961	1.7
71.08616	1.4
71.53187	1.0
71.53553	1.3
79.05476	3.6
81.07059	4.5
83.04958	1.2
84.82523	0.9
87.01601	0.8
89.06017	2.8
91.05435	1.0
93.07018	2.9
95.08590	3.5
99.04444	100.0
101.59309	1.0
105.06987	2.9
107.08562	1.9
109.10146	2.0
119.08586	2.6
121.06510	4.5
121.10110	3.6
121.62691	0.8
133.06505	8.7
147.08031	12.7
148.63463	0.9
149.09618	2.7
155.08484	0.9
161.09549	1.2
180.14102	0.8
189.12746	14.2
210.92186	1.1
221.15308	2.5
239.08829	2.2
239.14253	1.6
239.16289	8.4
239.18085	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.1638
Annotation	OPC-4:0
Peak:m/z	Relative Intensity
55.01862	3.9
55.05509	4.4
56.96540	1.4
57.07069	16.0
64.25724	0.8
67.05490	5.8
69.03408	1.2
69.07052	6.0
70.68263	2.5
70.68626	1.0
71.04974	2.7
71.08624	1.6
79.05501	4.0
81.07043	10.0
83.04955	1.8
83.08614	2.5
85.02885	2.5
85.06538	8.0
89.05999	1.3
91.05443	1.7
93.07024	3.6
95.04963	6.7
95.08593	13.2
97.06517	4.2
99.04425	1.7
99.08076	1.5
105.07037	4.0
107.08563	3.9
109.06502	32.7
109.10138	5.7
119.08563	7.1
121.10141	1.5
122.07211	0.8
123.08048	19.4
123.11687	1.5
125.05962	1.2
125.09595	1.1
133.10071	2.1
137.06020	1.0
137.09595	3.3
137.13257	1.1
147.08003	1.0
147.11703	0.9
150.58089	0.9
151.07556	1.3
153.09050	1.1
157.10080	1.3
157.59851	0.8
161.13248	4.5
165.09056	3.9
169.10144	1.0
175.14864	1.7
179.14284	100.0
180.14725	1.8
181.46155	0.8
193.15875	10.1
197.13205	1.3
210.92068	1.8
221.15341	7.1
229.93533	0.8
239.05296	1.0
239.08855	4.1
239.16309	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	239.1276
Annotation	Stachyline D
Peak:m/z	Relative Intensity
53.03931	1.9
54.79511	1.0
55.01853	3.0
55.05486	4.7
56.04987	1.0
57.03423	1.8
57.07064	2.6
57.68963	1.2
59.04996	2.4
59.07642	1.0
65.03909	1.1
67.05498	10.3
69.03423	5.4
69.07066	8.5
69.87334	2.7
69.87743	4.9
71.04995	5.1
72.08141	1.2
79.05483	14.9
81.03405	1.2
81.07049	71.1
83.04969	29.2
83.08602	1.2
84.08128	2.8
85.02864	1.4
85.06548	6.5
86.09693	1.6
91.05470	15.8
93.06483	1.5
93.07033	21.4
95.04954	10.5
95.08573	6.8
97.05936	1.4
97.06524	20.8
97.10103	1.4
101.06028	1.3
103.05471	1.8
105.03377	4.6
105.07040	10.8
107.04945	7.4
107.08579	9.3
109.02863	1.0
109.05812	1.6
109.06509	28.6
109.10170	7.9
111.04415	2.5
111.08058	3.7
113.05956	4.0
115.05399	1.1
117.07006	2.5
119.04925	5.0
119.05844	0.9
119.08563	6.1
120.08095	2.8
121.06496	9.0
121.10168	5.0
123.04403	4.8
123.08052	4.6
123.11668	3.7
125.05958	3.4
125.09603	1.6
127.07538	8.6
129.07091	1.0
129.10207	1.3
131.08516	2.1
133.06471	3.3
133.10114	17.0
135.08067	6.1
135.11641	5.0
137.02489	1.4
137.05969	41.8
137.09605	7.7
137.13188	1.5
142.07736	4.1
145.10091	6.0
147.04356	1.3
147.08060	1.9
147.11653	5.0
149.09592	4.6
151.07520	2.8
151.11121	3.0
153.09068	2.6
155.07018	5.3
155.08432	1.7
157.10132	3.0
158.07320	2.3
159.11708	2.1
161.09608	8.3
163.07532	3.1
163.11211	2.5
165.05409	3.6
165.06793	1.1
173.09560	14.8
175.11197	11.0
177.09064	2.2
179.10649	15.2
181.08556	4.6
185.09645	2.6
191.10646	13.1
191.33922	1.1
193.12231	10.0
194.04460	1.3
203.10631	10.6
206.02109	1.3
209.00899	1.2
221.11713	23.1
221.15202	2.2
223.09610	1.9
224.03087	1.5
230.03113	1.1
239.05417	3.1
239.09285	5.8
239.12752	100.0
240.13107	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.1276
Annotation	Stachyline D
Peak:m/z	Relative Intensity
52.47414	3.1
53.03934	22.6
55.01866	6.2
55.05515	23.0
57.03432	7.8
57.07084	4.5
59.04999	4.9
65.03925	6.6
67.05488	22.7
68.14792	2.6
69.03082	6.0
69.03422	68.9
69.07050	15.1
69.92304	12.2
69.92714	5.1
71.04967	8.6
74.68525	2.9
77.03911	3.6
77.87410	2.9
79.05484	33.5
81.03408	49.2
81.07045	49.8
83.04972	31.1
83.08582	6.2
89.05974	4.4
91.05476	75.4
93.07036	83.4
95.04968	23.5
95.08602	16.6
97.06528	6.6
99.04430	5.2
103.05435	5.2
105.03374	7.7
105.04513	5.2
105.07023	49.6
107.04948	8.1
107.08579	60.5
108.09351	6.8
109.02856	10.9
109.06507	49.8
109.10155	13.3
110.07293	5.8
111.04439	3.8
111.08077	6.9
115.05414	6.7
117.07008	7.2
119.04929	39.9
119.08560	24.7
121.06503	35.6
121.10140	7.0
123.04429	7.2
123.08056	31.6
123.11675	8.3
127.03890	8.7
131.08553	7.1
133.06494	12.6
133.10123	77.3
135.08020	17.0
135.11667	12.4
136.08841	9.9
137.02368	3.7
137.05962	29.1
137.09601	20.9
138.10374	16.5
142.07745	10.6
147.04404	90.9
147.08022	4.3
147.11636	20.2
149.09581	5.4
155.03378	15.0
157.10115	12.2
159.11729	5.9
160.08836	6.7
161.05971	10.1
161.09610	59.2
165.05464	94.6
165.12764	4.6
173.61687	3.4
175.11183	66.6
179.10660	100.0
193.12245	23.3
203.10619	27.6
215.50294	3.5
216.85191	3.3
221.11705	8.0
221.15392	3.9
239.08968	5.2
239.12755	92.9
239.16368	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	239.1275
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	14.6
55.01865	7.1
55.05493	11.9
57.03432	4.2
57.07060	6.8
59.04984	3.6
60.98582	3.2
65.03932	6.9
67.05482	14.5
69.03091	5.1
69.03426	62.8
69.07059	10.5
71.04998	3.7
71.44195	6.9
73.06530	3.2
79.05477	21.3
81.03416	51.2
81.07055	40.1
83.04978	29.6
83.08591	5.2
91.05470	73.7
93.07034	82.5
95.04961	26.5
95.08582	8.2
96.97336	4.0
97.06522	4.4
99.04458	6.3
105.07017	41.2
107.04963	5.5
107.08588	51.9
109.02849	8.4
109.06512	43.3
109.10113	10.2
110.07272	5.5
111.08092	4.5
113.05942	3.9
117.06947	3.8
119.04919	31.3
119.08575	20.9
121.06488	37.8
121.10136	7.3
123.04436	5.1
123.08060	32.6
123.11662	4.0
125.05948	3.8
127.03832	6.9
128.06352	3.2
131.08524	6.8
133.06480	7.3
133.10121	67.0
135.08003	6.7
135.11697	11.3
136.08803	6.3
137.05968	19.7
137.09615	15.7
138.10335	10.0
142.07751	4.3
144.09369	4.9
147.04396	91.7
147.08009	5.0
147.11656	22.9
151.11203	5.4
155.03378	8.1
157.10121	19.1
159.11705	4.1
160.08800	9.2
161.05962	9.0
161.09601	48.4
165.05466	82.6
166.05884	3.7
169.04854	6.9
174.06450	3.3
175.11172	62.8
176.41885	3.2
179.10655	100.0
193.12219	15.4
203.10663	21.7
205.02017	3.2
221.11703	11.4
239.10498	4.9
239.12764	66.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.1274
Annotation	Stachyline D
Peak:m/z	Relative Intensity
51.88666	3.6
53.03944	20.0
54.82604	3.3
55.01862	8.4
55.05507	27.6
57.03421	13.4
57.07061	7.9
59.05005	5.2
64.21391	3.5
65.03925	10.2
67.05494	33.8
69.03424	68.8
69.07066	20.6
71.04977	10.6
71.52456	7.5
73.02910	4.1
77.84692	3.9
79.05476	33.2
81.03414	50.7
81.07050	62.5
83.04968	35.8
83.08593	8.6
85.06551	7.0
91.05463	80.5
93.06484	6.9
93.07032	94.7
95.04951	32.7
95.08596	33.7
97.06524	11.8
97.10147	3.8
99.04442	8.1
105.07015	52.0
107.04938	14.2
107.08580	66.8
108.09374	6.3
109.02869	10.7
109.06503	57.0
109.10147	17.2
110.07275	7.3
110.85076	3.7
111.08071	5.3
115.05463	7.5
117.07043	5.5
119.04929	40.9
119.08562	25.6
121.06487	40.1
121.10114	14.4
123.04414	6.1
123.08046	38.9
123.11670	8.7
127.03870	8.2
131.08559	9.2
133.06467	7.8
133.10112	94.1
135.04391	8.5
135.08022	11.9
135.11678	12.8
136.08827	9.5
137.05057	4.2
137.05920	23.4
137.09604	20.6
137.13208	3.7
138.10391	10.2
142.07687	6.1
143.08531	4.7
146.07314	3.6
147.04396	90.7
147.08044	4.7
147.11694	28.0
149.09573	4.3
149.13220	5.3
151.11166	6.4
155.03380	8.8
156.25703	4.0
157.10109	16.9
159.11713	5.8
160.08821	9.1
161.05983	13.9
161.09602	64.9
165.05469	87.4
169.04913	4.4
175.11163	72.6
175.12599	7.3
177.12788	4.0
179.07072	4.1
179.10661	100.0
189.30005	4.2
193.12213	19.2
199.73894	4.6
203.10654	17.4
221.11685	15.6
239.08987	8.0
239.12737	73.2
239.17906	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	237.1847
Annotation	Sirenin
Peak:m/z	Relative Intensity
53.00307	2.6
53.03943	2.4
55.01859	4.2
55.05507	22.0
56.96534	2.5
57.03429	9.0
57.07059	7.6
59.04997	3.8
60.65191	2.6
65.03916	2.6
67.05501	29.6
69.03425	39.4
69.07059	27.1
70.65612	5.5
70.65957	2.9
71.04986	59.7
71.08594	3.4
79.05482	23.7
79.86077	2.0
80.07783	2.6
81.03410	2.2
81.07052	73.9
83.04980	8.0
83.08614	10.2
85.02841	3.1
85.06532	7.6
91.05476	21.5
93.07038	40.3
93.07616	1.5
95.04959	17.1
95.08599	35.4
97.06539	18.0
97.10151	3.7
99.08079	18.9
103.05479	3.1
105.07019	41.0
107.08588	41.9
109.06499	32.6
109.10155	54.0
109.10921	2.6
111.08083	7.8
114.08739	2.2
116.98610	3.8
117.07024	7.2
118.17376	2.0
119.08556	22.6
121.06480	6.2
121.10131	28.0
123.08067	10.1
123.11683	23.8
125.09613	15.0
127.07539	8.5
127.11194	61.4
131.08549	10.6
133.10126	51.9
134.10472	2.3
135.08049	9.9
135.11681	18.6
137.13284	3.2
139.11171	8.8
143.10629	12.0
145.10107	30.9
147.11642	11.1
149.09593	3.6
149.13234	7.4
151.11169	100.0
152.11409	2.5
153.12726	3.4
155.10664	25.3
159.11693	13.6
161.13277	5.0
163.11180	5.5
163.14847	4.0
169.12228	2.8
173.13271	6.1
175.14792	3.3
177.05489	2.8
177.12756	3.7
177.16420	3.2
179.14273	3.0
181.08594	4.1
191.14288	3.1
191.17981	6.1
201.12752	2.7
201.16371	12.0
219.10190	2.5
219.13824	4.7
219.17400	17.6
237.07356	5.4
237.11057	5.0
237.14796	6.8
237.18523	37.2
237.22174	9.1
238.07555	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	238.0708
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02367	0.6
53.03712	0.3
53.03943	3.8
55.01873	0.3
58.84358	0.2
59.21869	0.2
65.79153	0.2
70.02933	0.4
71.13357	0.5
74.02435	1.0
77.03910	0.8
79.05482	0.7
81.03411	0.2
88.03981	6.5
95.04961	6.2
102.42271	0.2
105.03381	100.0
106.03714	1.0
116.03448	1.9
118.06527	0.2
122.06033	0.5
123.04420	1.4
192.06451	1.1
220.06000	1.9
238.07123	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.1847
Annotation	Sirenin
Peak:m/z	Relative Intensity
53.03935	2.3
54.58574	1.9
55.01862	3.2
55.05503	25.0
56.96539	1.8
57.03424	5.1
57.07064	5.9
59.04993	2.7
59.29783	1.8
67.05496	21.5
69.03422	34.7
69.07061	13.4
69.17546	25.4
71.04601	4.2
71.04987	67.5
73.91976	1.9
74.08875	1.9
79.05495	22.8
79.19132	1.9
81.06591	4.5
81.07048	68.8
83.04976	16.5
83.08604	6.6
85.02911	2.2
85.06514	6.4
91.05463	14.2
91.05938	1.8
93.07039	35.3
95.04960	14.3
95.08598	29.6
97.06520	8.3
97.10120	3.4
98.09634	2.3
98.97588	1.9
99.08085	18.9
105.07025	37.0
107.08589	37.1
109.06509	28.9
109.10142	30.4
111.04341	2.6
111.08093	5.6
111.11730	2.4
117.07071	2.7
119.08544	14.6
121.06519	2.5
121.10130	20.8
123.08047	8.9
123.11692	24.1
125.09612	13.9
125.90876	2.0
127.07583	5.4
127.11182	72.9
127.32778	2.3
131.08559	11.6
133.10118	64.7
134.10460	2.7
135.08060	4.2
135.11679	12.0
137.09642	3.3
139.11163	10.6
143.10677	10.0
145.10126	28.7
147.11699	9.4
149.09543	3.5
149.13202	4.0
151.11168	100.0
155.10654	24.8
156.13942	2.8
159.11653	15.9
161.13246	5.5
163.11176	4.0
163.14752	2.4
166.02464	2.1
168.09488	1.9
173.13232	2.6
177.05536	3.7
177.12720	4.6
177.16373	4.1
191.10641	1.9
193.04991	2.5
201.16380	12.9
201.87506	2.2
219.09883	2.6
219.13858	4.0
219.17366	15.6
237.07541	5.0
237.10735	2.1
237.14859	4.8
237.18504	28.0
237.22061	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	235.1326
Annotation	Isorupestonic acid
Peak:m/z	Relative Intensity
53.03936	3.7
53.94372	0.5
55.01870	3.5
55.05496	4.1
56.96545	0.5
57.06826	0.7
57.07070	7.7
62.60099	0.5
65.00513	0.5
65.03935	1.9
67.05499	10.2
69.03427	4.1
69.07058	3.3
71.04981	3.0
71.52744	1.0
72.75220	0.5
77.03898	1.2
79.05483	27.9
80.64497	0.6
81.03417	1.1
81.07048	44.4
82.07387	0.7
83.04977	5.8
85.06515	1.5
86.15668	0.6
91.05472	23.0
93.07034	41.8
95.04958	11.7
95.08604	8.2
97.06518	10.4
97.07130	0.7
98.97548	0.9
99.04437	4.5
101.06007	1.2
103.05431	1.7
105.04532	0.8
105.07019	25.4
107.04947	10.1
107.08583	11.6
109.06507	31.0
109.10138	2.0
111.04446	1.3
111.08035	1.3
113.05997	0.7
115.05403	1.1
117.07001	3.7
119.04927	1.5
119.08572	16.9
120.08090	1.8
120.08926	0.6
121.06493	100.0
121.10094	2.9
122.06857	0.5
123.04414	3.0
123.08096	2.6
125.05977	2.2
127.07545	12.3
128.06239	3.8
129.05499	1.0
129.06989	5.0
130.07747	1.3
131.08548	5.7
133.06494	5.9
133.10127	7.2
135.04414	4.9
135.08034	8.3
135.11681	1.3
137.05951	5.5
137.09569	0.7
139.07542	5.5
141.06975	2.3
141.11465	0.8
142.07785	6.3
143.08545	10.9
145.06509	1.2
145.10086	6.6
147.08046	5.2
147.11673	15.4
149.09613	1.8
149.13301	1.1
151.07487	0.9
155.08536	1.5
156.09326	4.7
157.06506	1.5
157.10110	16.2
158.07176	1.0
159.08023	2.1
159.11740	0.8
160.08784	0.7
161.05983	3.1
161.09557	2.8
161.13232	4.8
163.07486	0.8
163.11150	0.8
165.07005	2.4
165.12749	1.7
166.07774	3.5
171.08080	1.6
171.11674	16.6
173.09608	2.2
173.13246	1.6
174.10364	0.7
175.07516	1.1
175.11163	25.5
175.14885	0.8
177.00690	0.6
179.10643	3.8
181.10124	5.2
184.08769	3.0
189.09161	0.7
189.12720	22.0
190.13075	0.7
193.12233	0.8
199.11162	24.9
200.11487	0.8
214.08496	0.7
217.12222	40.1
217.15678	1.1
217.19409	0.7
235.05792	0.6
235.09721	0.9
235.13301	21.8
235.16957	14.4
235.19012	1.0
235.20561	0.9
240.66180	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	235.1326
Annotation	Pterosin N
Peak:m/z	Relative Intensity
51.02366	1.0
53.03933	4.6
55.01867	7.5
55.05506	10.2
56.96556	2.9
57.03421	1.9
57.07070	22.0
59.05018	1.3
62.99351	0.9
65.03930	1.6
65.89081	0.9
67.05495	18.3
69.03423	7.6
69.07066	9.7
70.17506	2.8
71.04980	7.6
77.03913	1.3
79.05487	40.3
81.03413	3.1
81.07049	67.1
83.04974	7.6
83.08597	2.2
85.02889	2.0
85.06542	3.3
91.03321	0.8
91.05471	27.8
93.07036	45.2
95.04967	18.6
95.08595	16.6
97.02901	2.1
97.06521	20.2
97.10174	1.2
98.97600	5.0
99.04459	6.0
101.06012	1.4
103.05466	4.3
105.04531	2.2
105.07023	46.6
106.07345	1.3
107.04956	10.7
107.08575	25.1
109.06510	40.2
109.10149	6.8
111.04440	1.1
111.08060	1.8
113.06040	2.0
115.05420	4.6
116.98614	2.9
117.07018	8.3
119.04926	2.3
119.08575	26.4
121.06493	100.0
121.10114	6.9
123.04449	5.1
123.08043	5.1
123.11742	2.5
125.05988	4.4
127.07542	16.4
128.02237	1.2
128.06203	6.3
129.07005	11.6
130.07819	1.1
131.08553	11.5
133.06487	8.6
133.10110	16.5
134.99664	2.0
135.04404	6.9
135.08046	16.4
135.11665	4.9
137.05968	9.3
137.09583	1.7
139.07524	3.9
141.05496	1.2
141.06923	2.4
142.07768	11.5
143.08549	22.9
145.06525	5.8
145.10115	10.9
147.08037	11.9
147.11671	22.5
149.05959	2.6
149.09615	2.0
149.13216	2.9
151.07568	1.7
153.07057	1.2
155.08519	3.8
156.09312	8.2
157.06497	1.2
157.10129	28.5
157.15999	1.0
158.07254	1.0
158.99553	1.3
159.08069	2.5
159.11714	2.7
160.08791	2.7
161.05988	2.1
161.09647	5.4
161.13242	8.5
163.03851	1.3
165.06989	2.7
165.09026	1.6
165.12747	3.0
166.07741	4.7
169.10345	1.1
171.08092	2.5
171.11661	25.5
172.12106	1.1
173.09595	3.1
173.13277	2.2
174.06744	1.4
175.07553	3.2
175.11165	35.5
175.14745	4.4
177.00699	2.0
177.12775	1.1
179.10648	13.3
181.10092	7.0
184.08821	2.5
189.09079	2.5
189.12721	31.6
189.16414	2.5
193.12268	1.8
199.11163	32.2
199.14853	1.9
200.11621	1.0
207.10091	1.0
207.13930	1.4
214.08667	1.1
217.12212	64.9
217.15845	3.6
217.19586	3.1
217.84348	1.0
218.12462	1.3
226.06827	1.2
235.07678	1.6
235.09595	3.4
235.10768	1.4
235.13293	38.6
235.16945	52.8
235.20410	6.6
236.08089	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	235.1326
Annotation	Pterosin N
Peak:m/z	Relative Intensity
53.03936	3.6
55.01851	3.4
55.05489	4.0
57.07056	5.1
65.03932	1.2
66.43819	1.3
67.05497	8.9
69.03401	3.5
69.07043	2.8
69.21591	1.3
69.86385	7.0
71.04973	3.9
74.76916	1.3
79.05484	22.3
81.03399	1.7
81.07047	35.9
83.04957	4.2
83.05428	1.2
85.06532	1.8
91.05479	20.0
93.07034	45.0
95.04958	10.9
95.08579	7.6
97.06528	9.8
99.04427	3.8
101.06030	1.3
101.44306	1.0
103.05428	3.0
105.04456	1.1
105.07013	27.4
107.04941	10.1
107.08600	10.3
109.05798	2.1
109.06506	30.0
115.05434	6.5
117.07021	9.7
119.04887	1.6
119.08569	16.1
121.06498	100.0
121.10082	1.9
123.04402	3.8
123.08038	4.3
125.05957	3.2
127.07536	10.4
128.06194	3.2
129.07014	7.0
129.07780	1.4
131.08571	4.5
133.06494	6.3
133.10146	5.6
135.04369	4.9
135.08057	7.3
135.11652	1.4
137.05975	5.6
139.07520	4.4
142.07764	5.3
143.08572	11.1
145.06458	11.3
145.10149	5.8
147.08005	6.8
147.11679	15.0
151.07561	1.7
153.05594	1.2
155.06071	1.9
155.08511	2.0
156.05673	2.5
156.09326	5.4
157.06450	2.1
157.10104	14.3
159.08131	1.9
161.05937	3.1
161.09561	2.2
161.13254	4.6
165.06953	1.9
165.12611	1.5
166.07756	4.2
171.08093	1.3
171.11690	16.4
173.05959	8.7
173.09592	2.4
173.13281	1.4
175.07527	1.9
175.11177	25.0
177.16333	1.2
179.10626	3.8
181.10130	5.7
184.08707	2.2
189.12747	19.1
190.06215	3.4
193.12106	1.2
199.11163	22.8
203.06967	1.9
205.08549	2.1
217.08621	4.3
217.12219	38.6
217.15631	1.8
217.56613	1.2
235.09669	1.9
235.13290	22.1
235.16878	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	233.2261
Annotation	Aplotaxene
Peak:m/z	Relative Intensity
52.09563	0.9
52.31095	1.4
53.03948	1.3
55.05502	14.0
55.53919	1.0
57.07061	3.4
65.03947	1.5
67.05498	99.7
69.07059	13.8
71.52342	1.5
71.52761	1.5
74.99550	1.0
79.05481	26.2
81.07047	100.0
83.08614	9.5
91.05479	8.6
93.07036	30.1
95.04958	3.9
95.08598	88.6
97.10151	6.1
105.07020	4.0
107.08581	18.5
109.10143	40.7
111.11697	1.4
117.06997	2.2
119.08557	2.7
121.06496	1.6
121.10131	23.5
123.08097	1.6
123.11698	15.5
131.08556	3.5
133.10158	2.2
135.07974	1.9
135.11679	23.2
137.13231	10.2
145.10114	2.5
149.09621	3.2
149.13219	11.1
151.11310	1.2
151.14810	6.7
159.11676	2.5
163.11133	1.4
163.14832	3.0
165.49513	1.1
170.29208	1.1
177.12755	1.1
177.16388	2.6
178.06247	2.2
215.17914	2.9
233.04503	1.9
233.11792	2.1
233.15448	7.6
233.18991	43.6
233.22629	76.3
234.19229	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	235.0295
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96557	21.3
57.03418	4.9
57.07071	41.3
58.81579	2.3
58.96150	3.7
58.99850	4.4
60.04505	3.0
60.95822	2.7
60.99605	3.4
61.02895	7.6
69.03404	6.3
69.54657	18.5
71.77436	3.3
73.02900	5.9
77.00901	2.5
81.03391	5.1
84.08122	3.1
85.02886	9.5
91.05457	4.6
95.01337	2.8
95.08581	4.1
97.02869	10.8
98.21498	3.8
98.97540	11.9
100.02451	8.6
101.00278	2.8
101.00864	16.6
103.00615	6.6
103.02430	14.8
105.02127	5.8
105.06982	5.4
107.04897	5.0
107.08572	2.7
109.02886	3.9
110.07106	2.8
115.02383	8.3
116.98606	9.6
118.03531	6.1
119.01034	5.2
119.01904	100.0
119.03701	5.6
120.02016	4.2
121.01669	18.8
121.03477	10.6
127.02361	4.6
127.03930	4.3
131.00136	2.8
131.01837	13.8
131.08553	2.8
133.01614	3.6
133.03517	14.4
134.99631	3.7
135.03188	5.8
135.04999	3.5
137.02939	36.1
137.04750	7.8
139.02672	5.1
139.04170	2.9
142.03461	4.6
143.01862	5.3
145.01601	9.7
145.03441	75.0
146.03654	3.0
146.99571	3.6
147.01337	7.6
147.03159	7.1
148.04692	9.6
149.01138	5.8
149.02910	7.3
150.01888	3.0
151.04431	4.4
154.03542	3.0
157.03447	6.6
161.02945	12.2
163.02679	20.7
163.04509	42.0
164.02243	3.0
165.00569	6.1
165.04225	7.6
168.05098	7.7
171.01367	11.7
173.02924	10.8
175.04527	3.0
179.10631	25.6
184.04633	2.8
185.02905	3.3
186.06052	3.2
189.00749	6.9
189.02400	44.9
191.02191	8.8
191.03860	4.7
193.01906	2.9
193.03729	4.6
194.02782	3.1
203.03873	3.5
206.98030	2.9
207.01779	4.1
207.03513	21.6
209.03165	3.9
211.04559	3.3
212.04047	14.9
214.31267	2.9
217.01898	28.4
230.05054	7.7
235.01044	3.5
235.02975	34.1
235.06419	10.2
235.11729	4.1
235.16885	88.8
235.20493	5.1
243.55421	3.3
253.02206	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	233.1492
Annotation	H-Thr-Leu-OH
Peak:m/z	Relative Intensity
54.92462	0.6
55.01867	0.8
55.05260	0.6
55.05501	2.9
56.05029	19.8
56.96556	15.6
57.03422	2.8
58.06591	4.0
60.04519	0.9
69.03419	2.1
69.07071	1.0
70.06574	1.3
70.21776	2.8
72.08150	15.6
72.37550	0.6
72.93767	0.8
73.02901	1.6
74.06071	100.0
75.04470	1.0
81.03409	1.5
81.07059	0.7
83.04993	1.0
84.04495	4.8
84.08135	1.5
84.96032	0.9
85.02883	2.1
86.09697	22.0
91.05474	2.2
93.07037	1.0
95.08613	0.8
97.02888	1.6
97.06557	0.7
98.97588	2.7
100.99149	2.1
101.07140	2.4
105.07015	1.3
107.04966	1.3
107.08617	1.5
110.97566	1.5
111.08137	0.7
116.07071	3.1
116.98612	2.2
117.06995	0.7
119.00186	1.5
119.04960	1.5
119.08562	0.9
121.02940	0.8
128.98608	2.4
129.10149	0.6
131.08595	1.0
131.97417	1.1
132.10187	17.1
133.06488	0.9
134.08112	8.0
134.99675	1.3
135.00729	0.7
144.98083	1.0
145.06595	1.2
145.10161	0.9
146.99628	3.1
147.04349	1.0
149.01221	0.9
149.96043	1.1
158.05946	1.2
159.08012	1.2
161.02983	1.2
161.04706	1.5
161.05940	1.0
162.99149	2.4
165.00740	2.0
167.04465	0.8
167.97169	0.9
169.13373	1.3
170.03398	0.6
170.05168	0.8
170.99756	0.8
173.05920	1.3
173.09541	0.6
173.13432	0.6
175.11386	0.9
177.00775	1.1
177.05431	0.9
181.00333	0.6
182.03448	1.1
183.01750	1.5
187.02641	0.7
187.08707	2.8
187.14392	8.2
190.98647	4.3
191.03850	1.0
194.25900	0.6
205.08768	0.8
208.99673	6.3
215.13896	4.7
217.67426	0.8
227.00719	1.0
232.01224	0.6
233.04633	1.1
233.06474	1.1
233.08276	2.2
233.11742	1.4
233.15085	10.7
233.18968	1.3
234.07545	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.1494
Annotation	Unknow
Peak:m/z	Relative Intensity
51.16634	0.5
52.31348	0.5
55.01871	0.7
55.05499	1.0
56.05038	2.7
56.07774	0.5
56.96562	74.7
57.03439	1.4
58.06581	0.7
58.99877	0.6
59.28005	0.5
60.04515	0.7
60.95845	0.9
61.02921	0.7
62.36202	0.5
69.03416	2.6
69.07053	1.7
70.06582	3.2
71.04988	2.0
71.95258	1.0
72.08145	3.7
72.96017	0.9
73.02903	2.0
74.06076	4.2
74.60971	0.6
74.97599	1.7
77.00896	0.8
81.03408	1.5
82.05357	0.6
83.04992	1.4
84.04507	2.8
84.08134	2.6
84.96027	5.0
85.02910	3.5
86.09700	100.0
87.10081	0.6
91.05502	1.3
95.04961	0.6
97.02881	3.6
98.97569	10.4
99.04478	1.7
100.99142	14.9
101.00875	3.5
101.95033	1.0
102.05548	2.0
102.96973	1.8
103.00633	1.6
103.02438	1.5
105.02214	1.5
107.90533	0.5
108.05615	0.6
109.02872	1.0
110.07187	0.9
110.97546	6.8
115.02384	1.1
116.98612	11.1
117.02258	0.7
117.04010	2.1
118.03503	0.8
119.00177	13.6
119.01910	15.3
119.03692	1.1
120.01983	2.9
120.06567	6.2
120.97935	1.3
121.01654	10.2
121.02449	0.7
121.03464	1.0
126.97070	2.0
127.03901	1.2
128.98602	12.7
129.10205	0.6
130.04964	1.7
130.08632	1.1
131.00148	1.3
131.01846	3.0
132.03448	0.8
133.03459	5.4
134.99673	7.7
135.03171	1.1
135.05011	1.3
136.05098	0.9
137.01236	1.5
137.02936	5.2
137.04715	0.9
138.98944	1.0
139.02658	4.1
140.05037	0.8
142.12332	0.9
143.00246	0.8
143.01865	5.0
144.98082	8.4
145.01657	1.1
145.03452	2.6
145.05101	0.6
146.08099	1.5
146.99643	15.3
147.03188	5.3
148.97617	1.0
149.01180	1.9
149.02959	0.8
151.04515	1.4
153.00749	1.2
155.01880	0.7
157.03421	2.0
160.07651	0.8
161.01436	1.2
161.02969	13.5
161.04617	3.9
162.03084	0.7
162.07631	1.3
162.99132	13.5
163.02689	3.5
163.04536	2.0
165.00726	15.8
165.04289	2.3
168.03592	1.1
171.01492	1.0
172.97507	3.7
173.01190	1.9
173.02972	2.7
174.97656	0.7
175.02774	0.9
175.04446	2.0
177.00832	1.5
177.11365	0.8
179.05844	2.3
181.00189	2.4
181.03593	0.7
183.01727	7.1
184.04630	0.7
185.03052	0.9
186.99144	1.0
187.01028	1.2
187.02716	2.4
187.04353	0.7
189.00719	1.4
189.02530	1.2
189.04178	4.0
190.95535	1.2
190.98627	19.7
191.00565	1.0
191.02246	6.5
191.04007	4.8
193.00174	0.7
201.00723	0.7
203.04099	0.8
205.03682	3.5
205.10857	3.7
207.01770	1.4
207.03506	1.2
207.05215	1.0
208.99677	38.7
209.03252	3.1
209.99922	0.7
210.02435	1.6
210.04404	1.8
214.00256	1.4
214.05777	0.6
215.13918	2.0
217.15483	2.2
219.01959	1.1
219.03999	0.6
223.04611	1.1
227.00691	6.2
232.01262	1.8
232.96432	1.9
233.03188	1.3
233.05069	2.6
233.10306	6.8
233.14955	3.1
234.18153	1.5
250.97340	0.9
251.02515	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.117
Annotation	Drupanin
Peak:m/z	Relative Intensity
53.03932	2.1
55.01863	2.6
55.05507	2.6
65.03930	1.1
67.05483	4.1
69.03425	4.1
69.07059	2.1
70.18688	2.3
71.04978	2.1
77.03912	0.6
79.05494	12.0
81.03406	1.0
81.07048	7.9
83.04959	1.2
85.06516	0.8
87.00819	0.6
91.05470	14.5
93.06477	1.0
93.07034	10.7
95.04958	7.1
95.08606	2.7
97.06523	1.6
99.04435	2.4
103.05440	1.8
105.03389	0.6
105.07020	25.6
107.04940	9.9
107.08601	5.1
109.06519	4.2
109.10136	0.9
114.73705	0.6
115.05434	3.1
116.06280	0.8
117.07001	11.9
119.04923	13.0
119.08564	8.5
121.06491	11.4
121.10126	2.7
123.04401	0.9
123.08072	0.9
123.11739	0.7
125.05986	1.1
127.07539	1.7
128.06171	2.7
129.06969	4.7
129.58261	0.5
130.07771	6.7
131.04907	1.9
131.08562	11.2
132.08922	0.5
133.06490	4.9
133.10124	3.9
135.04388	1.5
135.07129	0.5
135.08023	3.0
135.11705	2.6
137.05965	3.5
139.07512	0.6
141.06967	2.8
142.07756	0.8
143.08545	6.1
144.05667	1.5
144.09344	3.0
145.06461	7.3
145.10109	49.0
146.10548	0.9
147.08049	1.7
147.11667	5.9
148.08841	0.7
149.05937	1.2
149.09607	1.1
151.07541	0.7
153.06970	1.0
154.07750	3.9
155.05977	0.7
155.08597	3.0
157.06430	0.7
157.10120	1.2
158.07260	5.7
159.08051	4.2
159.11678	12.8
161.05960	0.5
161.09602	1.5
163.07562	1.1
163.11157	16.8
167.08559	1.2
169.06308	0.7
169.10103	8.4
171.08032	1.9
171.11681	1.8
172.05125	1.0
172.08772	2.6
173.05989	2.1
173.09602	100.0
174.09988	2.2
175.07545	1.5
177.09099	0.9
177.12730	1.2
178.07782	0.7
179.08533	4.0
181.06470	1.1
182.07243	3.8
187.07578	0.9
187.11153	28.1
187.14821	1.6
189.09216	0.9
189.12746	3.5
191.07036	0.6
191.10698	3.0
197.09593	9.7
200.04691	0.7
205.08527	1.0
205.12180	4.4
215.10649	25.2
215.14191	1.8
215.17943	1.0
216.10905	0.6
218.05592	0.6
233.08035	2.3
233.11694	19.3
233.15219	5.1
233.18896	2.4
234.12042	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.117
Annotation	Mexicanin E
Peak:m/z	Relative Intensity
53.03935	4.0
55.01868	8.0
55.05506	5.2
56.21201	1.0
57.07044	2.3
61.86172	1.0
65.03922	4.9
67.05495	16.1
68.99764	1.8
69.03421	16.9
69.07056	5.2
70.06565	1.1
71.01369	1.7
71.04985	9.4
71.52895	1.8
77.03922	1.2
79.05486	23.9
81.03394	2.4
81.07047	19.5
83.04960	4.7
85.02879	1.3
85.06512	4.2
86.09678	1.5
87.00850	1.3
87.04432	1.6
91.05472	38.2
93.07033	31.1
95.04961	20.6
95.08594	8.7
97.02821	1.4
97.06512	5.2
98.97560	1.2
99.03937	1.2
99.04457	12.7
103.05441	4.1
105.03458	1.2
105.07024	59.4
107.04940	11.6
107.07887	1.1
107.08577	14.2
109.06512	7.7
109.10125	3.5
111.04408	3.1
111.08094	1.4
113.05953	1.9
115.03905	1.5
115.05437	7.3
116.06219	3.5
117.07008	33.6
119.04931	80.7
119.07806	1.9
119.08569	26.1
120.05249	1.0
121.02881	1.4
121.06495	25.3
121.10214	6.8
123.04382	1.9
123.08044	3.2
123.11649	1.3
125.05972	4.2
128.06207	8.0
129.07002	18.2
130.07770	12.5
131.04886	4.6
131.08556	38.3
133.06483	12.0
133.10114	17.3
134.07187	1.4
135.04370	2.6
135.08037	6.5
135.11659	3.0
137.06009	6.1
137.09604	4.7
141.06946	9.6
142.07751	3.6
143.08545	16.5
144.05684	3.5
144.09343	11.0
145.06477	23.0
145.10110	100.0
146.07182	2.1
146.10612	1.6
147.08040	6.8
147.11678	8.8
148.08833	1.2
149.06024	2.2
149.09550	5.7
149.13237	2.1
151.07532	2.3
153.06972	2.2
154.07771	10.0
155.08511	5.2
156.09306	2.4
157.06488	2.6
157.10117	4.6
158.07286	10.1
159.08084	13.0
159.11673	52.9
161.05974	1.8
161.09593	2.6
161.13239	2.7
163.07568	5.2
163.11177	16.4
167.08530	2.0
169.10124	23.4
170.10532	1.2
171.08054	3.1
171.11655	5.4
172.05159	1.4
172.08809	7.5
173.05954	4.2
173.09607	81.2
173.13205	10.2
174.06674	1.5
174.09923	1.6
175.07518	8.1
175.11128	2.9
175.14713	1.2
177.09103	4.6
177.12712	2.4
178.07758	1.7
179.08548	6.4
181.06412	2.1
182.07266	4.8
187.07521	4.2
187.11165	96.0
188.11494	2.4
189.09131	2.9
189.12616	5.8
191.07016	2.5
191.10614	11.0
191.14238	2.3
197.09602	19.8
205.08672	6.3
205.12212	15.9
205.15869	3.0
215.10654	71.3
215.14194	5.0
215.17905	4.5
216.11031	1.4
218.05598	1.7
233.08165	10.7
233.11690	55.2
233.15294	24.1
233.18904	9.1
233.22261	3.9
234.11897	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	232.9967
Annotation	Unknow
Peak:m/z	Relative Intensity
52.79004	0.5
55.05497	0.6
55.57688	0.4
56.05025	1.5
56.96559	100.0
57.02622	0.4
57.03429	0.9
58.99582	0.6
58.99857	0.7
65.50311	0.4
69.03417	1.1
69.07038	0.5
69.44826	3.6
70.06596	0.9
70.98101	0.4
70.99863	0.6
71.95265	1.6
72.08153	5.3
72.96043	1.3
73.02911	1.2
74.06075	7.4
74.97588	2.4
76.02218	2.0
77.00908	1.3
81.03414	0.5
82.99863	1.3
84.04497	1.7
84.08138	1.2
84.96021	6.6
85.02902	2.3
86.09697	8.8
86.97607	0.6
88.99079	0.5
89.00835	0.5
92.98634	0.7
97.02861	1.0
97.99139	0.6
98.97570	6.7
100.99136	21.2
101.00869	12.7
102.05531	0.6
102.97042	0.9
103.00621	2.2
103.02452	0.8
105.02190	1.8
106.00280	0.8
110.97552	11.0
113.00874	0.9
115.02379	0.6
116.98614	4.3
119.00177	13.7
119.01119	1.2
119.01904	35.0
120.02012	0.9
120.06624	0.6
121.01649	9.7
121.02441	0.8
121.03478	0.6
122.99450	0.8
123.03217	1.7
126.97036	3.3
127.02364	0.5
127.03915	0.6
128.98595	18.5
128.99557	1.0
130.96512	0.6
131.01894	2.7
131.99998	2.2
132.10211	1.3
133.01683	1.1
133.03450	5.0
133.99738	2.9
134.99677	2.9
135.03192	0.9
135.04999	0.5
137.01234	2.3
137.02925	5.9
137.04723	0.7
139.02693	2.8
141.00497	0.8
142.01724	0.6
142.03505	1.0
143.00150	1.2
143.01883	31.7
144.98074	11.2
145.01614	0.5
145.03453	3.1
145.99730	1.6
146.99619	20.7
147.03163	4.4
148.97589	0.9
149.01042	2.3
149.02954	0.5
151.04489	1.1
152.00229	0.6
154.96521	0.6
155.00262	5.3
155.01872	1.3
157.03473	1.6
159.03201	1.4
160.56635	0.5
161.02942	52.9
162.03108	1.3
162.99132	19.4
163.02657	2.4
163.04539	1.1
164.00792	1.0
165.00702	19.1
165.04309	1.6
166.51077	0.6
167.00203	2.5
167.02144	1.2
170.01245	0.9
172.97557	6.9
172.99937	0.7
173.01218	1.5
173.02971	3.8
175.00842	0.7
175.02649	0.9
175.04460	1.6
176.00844	1.8
177.00739	1.0
177.02274	0.7
179.05882	0.6
181.00211	2.6
182.00775	1.2
182.50845	0.6
183.01765	9.6
184.04541	2.9
185.03035	1.2
186.00735	0.6
186.99200	0.5
187.00870	1.4
187.02695	3.2
187.04414	0.8
187.14436	0.6
187.51639	0.6
189.00768	0.7
189.02368	0.6
189.04231	0.9
190.98619	27.2
191.02214	8.2
191.04010	2.8
196.74471	0.5
197.02942	0.7
203.03970	0.6
205.03784	1.7
205.10809	0.7
208.99669	50.3
209.03194	2.5
209.06506	1.2
209.99927	0.7
210.02490	1.0
210.04327	2.6
210.06154	0.7
214.00229	1.6
214.05754	0.5
214.98566	0.6
223.04535	0.7
227.00722	7.6
232.01241	2.4
232.99649	1.1
233.03378	1.4
233.06306	21.1
233.15071	0.8
251.04202	1.0
251.07820	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	232.0127
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	2.0
55.05501	1.5
56.96559	100.0
57.03418	1.9
61.02907	5.3
69.03421	9.1
70.04979	8.2
72.08146	10.3
73.02905	2.9
74.97602	4.2
84.04499	2.4
84.08154	1.8
84.96025	7.1
85.02905	8.5
95.01341	1.8
95.01932	1.9
97.02874	2.2
97.99126	2.2
98.97575	5.2
100.99135	17.8
101.00878	2.5
102.00966	2.0
102.97028	3.2
103.02352	2.2
104.02513	3.2
110.97568	6.9
113.02372	3.9
116.98611	4.4
117.04013	1.7
119.00169	14.9
119.01913	24.8
120.01984	11.3
121.01684	2.5
121.03455	2.4
122.03555	2.9
128.98572	17.4
131.01886	6.5
132.01987	3.2
133.01636	3.1
133.03453	6.3
134.02888	10.1
134.99660	3.0
135.05017	3.4
137.01189	3.8
137.02914	6.0
138.03047	5.8
143.01889	10.4
144.98061	10.0
145.03455	5.7
146.03537	8.0
146.99628	22.7
147.01335	2.8
147.99556	1.7
148.01532	2.4
149.02773	3.4
155.00223	2.5
157.03389	3.2
158.03535	2.7
160.04488	8.2
161.01201	3.0
161.02943	20.0
162.01628	1.8
162.03008	3.7
162.99133	22.1
163.04495	2.3
164.04688	3.8
165.00696	14.4
165.02013	2.0
166.02594	3.3
168.02090	1.6
168.99948	2.8
170.01364	2.4
170.02896	3.7
170.99763	1.9
171.04985	1.8
172.01573	2.3
172.97542	4.9
174.03043	1.7
175.04514	2.0
176.04578	2.6
177.00679	2.0
178.05974	1.7
181.00232	3.5
182.99805	5.0
183.01762	9.4
183.49751	2.8
185.02992	5.0
186.00519	2.9
186.02011	22.3
186.11337	1.7
187.00931	1.8
188.02357	2.5
188.04037	3.5
189.00752	1.7
189.02409	4.3
190.02539	14.6
190.98592	24.4
191.04024	2.1
192.00307	1.7
195.05054	1.9
201.04193	2.1
203.03984	2.3
204.04222	4.8
205.03772	1.9
208.03651	5.0
208.99673	56.5
209.02748	2.3
209.04784	5.2
209.06499	2.8
214.01830	4.0
227.00621	11.3
232.01244	5.9
232.03247	3.0
232.14017	2.3
232.16718	2.5
251.02617	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	231.1701
Annotation	H-Val-Leu-OH
Peak:m/z	Relative Intensity
53.03930	0.6
54.31785	0.2
55.05508	11.1
56.05030	0.4
56.96550	0.6
57.05801	1.0
67.05488	0.3
69.03410	1.7
70.06586	0.5
71.14775	0.5
72.08148	100.0
73.08488	0.5
81.03410	0.9
81.07043	0.6
82.93999	0.2
83.04990	0.3
84.08138	0.8
85.02911	1.0
86.09700	6.0
91.05485	0.5
93.07056	0.2
95.05028	0.2
95.08585	0.2
95.18172	0.2
95.44566	0.2
97.02869	0.5
98.97582	0.6
99.04445	0.5
100.35607	0.2
103.05480	0.2
105.03410	0.7
105.07029	0.5
106.03725	0.7
107.08577	0.2
109.02866	0.4
115.05448	1.4
116.07137	0.3
116.98601	0.5
117.07046	0.3
119.08563	0.2
121.10200	0.2
127.03949	0.5
128.06215	0.4
128.98671	0.2
129.07002	0.3
129.10228	0.4
131.04910	0.2
131.08507	0.3
132.05719	0.2
132.10185	3.6
133.10269	0.2
134.99667	0.4
142.07654	0.2
143.04947	0.7
143.08585	0.6
145.10144	0.4
149.02682	0.3
157.10158	0.4
158.08366	0.2
160.05139	0.4
166.28836	0.2
171.04437	0.5
173.09692	0.3
175.04022	0.2
175.07581	0.8
177.00850	0.2
185.05942	0.3
185.09575	0.3
185.13283	0.7
185.16472	1.0
189.05554	0.3
189.09152	0.3
191.03885	0.3
199.03854	0.3
203.06960	1.3
203.92247	0.2
231.06436	1.1
231.10405	0.6
231.13928	0.8
231.17035	2.6
237.02769	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	231.0497
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	9.6
55.01862	2.8
55.05508	1.5
57.03421	2.3
57.44458	0.9
61.02919	1.8
66.23727	0.9
67.05489	2.3
68.53484	0.9
68.99785	3.5
69.03424	100.0
69.07055	1.0
69.88102	5.8
70.03746	0.9
71.01323	1.2
71.04977	6.8
72.14380	1.0
79.05480	2.3
81.03412	47.6
81.07066	2.4
83.01332	0.9
83.04945	1.4
83.08633	0.9
85.02902	30.9
87.00818	17.1
91.05479	5.0
93.07027	3.8
95.08595	2.8
97.02887	24.0
97.06523	1.0
99.04449	18.9
105.01855	3.4
105.07016	4.8
107.08601	4.4
109.02869	16.5
109.10147	2.0
111.00768	1.3
115.05412	1.3
117.07021	2.2
119.08579	4.9
121.06464	1.2
121.10148	1.7
127.03910	24.1
128.06216	1.8
129.06984	2.7
131.08546	1.9
133.06506	1.1
133.10086	2.7
135.08025	1.8
141.07005	1.2
142.07747	2.6
143.05006	1.1
143.08583	4.8
145.04926	2.7
145.10115	2.9
147.08084	1.3
147.11693	1.5
156.09296	1.5
157.10094	4.9
159.08067	1.2
159.11641	1.2
161.09552	1.4
171.11671	2.2
173.05928	1.0
175.03848	1.0
175.07501	1.1
185.13301	5.1
189.12822	1.2
213.03876	1.4
213.12747	2.3
213.16335	1.1
231.03030	1.1
231.04887	3.5
231.06586	4.3
231.10107	3.6
231.13786	8.6
231.17407	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	231.0349
Annotation	Unknow
Peak:m/z	Relative Intensity
51.70382	0.7
52.44723	0.7
55.01836	1.0
56.96506	16.6
56.96812	1.2
58.99824	1.2
60.04477	0.7
68.98225	2.0
70.06541	1.9
70.86069	0.8
70.86397	1.9
72.08109	1.1
73.06518	1.4
74.97536	1.4
76.20206	0.7
77.00869	1.5
82.99822	2.3
84.08081	2.8
84.96021	3.9
85.01353	3.1
86.09644	1.4
86.99259	1.1
91.02399	1.3
97.02834	1.6
98.97572	6.5
100.58778	0.8
101.00862	16.7
102.67623	0.8
102.97059	0.8
103.02437	19.7
105.00333	0.8
105.06979	1.1
113.00824	1.5
114.58371	0.8
115.00658	1.3
116.98606	6.1
117.03995	6.2
119.01913	75.3
119.08553	0.9
120.01919	1.3
121.02650	0.8
121.03478	12.8
124.99059	1.8
127.02373	2.7
129.00294	2.2
129.10194	0.8
131.01857	4.8
133.01657	1.5
133.03477	5.3
134.99594	3.2
135.05032	8.1
137.02948	24.3
142.03442	1.0
143.00168	4.9
143.01891	1.6
143.08575	0.8
145.03453	42.7
147.01373	25.1
148.01416	0.9
149.02898	1.7
151.04515	2.8
153.00517	0.9
155.01878	1.1
156.03453	0.8
157.03439	1.8
158.99623	1.7
159.05061	3.7
161.01204	8.6
161.02930	21.9
162.02951	1.0
163.04510	27.2
164.04652	0.9
165.02444	8.2
167.01939	0.9
168.05034	1.4
169.03348	1.1
171.01343	15.8
173.02924	3.2
175.04227	0.9
177.00858	1.7
177.06049	1.3
179.02301	1.9
179.04027	5.7
180.99960	0.9
182.58246	0.7
183.03520	2.2
185.02850	6.0
185.06570	1.1
186.06140	0.9
187.04498	5.4
189.02428	100.0
190.02620	1.8
191.04031	1.1
199.00880	1.4
203.03967	7.7
203.07790	0.8
205.00264	1.0
205.05591	2.8
207.01707	0.9
207.03476	24.4
207.05298	1.6
208.04561	3.2
212.04013	3.1
219.03548	2.4
221.05069	3.4
223.01379	1.1
226.05852	0.9
231.03506	26.7
231.07043	1.0
231.16179	1.3
234.40652	0.7
249.04584	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	231.0498
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62814	1.2
53.03939	11.1
55.01856	3.1
55.05507	2.6
57.03411	4.3
66.30974	1.3
67.05491	4.7
68.99775	3.0
69.03426	100.0
69.07040	3.1
70.53822	1.2
71.04991	8.1
71.52450	1.4
71.52805	1.6
79.05482	4.0
81.03414	44.3
81.07041	8.3
83.01320	1.6
83.04965	1.5
84.08147	1.5
85.02902	43.4
87.00826	15.4
91.04969	1.2
91.05462	6.6
93.07037	4.9
95.04952	1.9
95.08601	3.8
97.02882	24.0
97.06516	2.2
98.98428	1.3
99.04449	22.7
105.01845	4.0
105.07004	9.1
107.08601	3.0
109.02881	16.9
109.10149	2.4
109.96857	1.3
115.05447	2.7
117.07036	3.0
119.08585	6.3
121.06547	1.4
121.10129	3.0
125.02261	1.4
127.03911	20.5
128.06235	3.6
129.07010	3.8
131.08553	5.1
133.06523	2.2
133.10118	5.8
135.08075	1.9
135.11687	2.7
141.07019	2.0
142.07780	3.4
143.04909	1.8
143.08568	6.7
145.04936	3.6
145.06493	2.0
145.10118	8.0
147.08052	2.9
147.11693	2.2
156.09290	2.7
157.10135	9.9
159.11700	4.0
160.05136	1.7
161.05949	2.8
161.09669	3.5
161.13274	3.2
171.04367	3.4
171.11676	6.0
173.09561	1.4
173.13223	3.1
175.03969	2.9
175.07565	3.3
175.11157	3.7
185.09621	2.0
185.13254	8.0
187.14880	1.7
189.09087	2.3
189.12695	2.0
195.11623	2.0
213.03909	2.9
213.12762	4.5
213.16454	4.7
231.02863	3.3
231.04668	3.9
231.06749	13.3
231.10030	7.0
231.13780	15.2
231.17369	11.2
231.21024	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	231.0348
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	0.6
55.01867	1.4
56.96297	1.2
56.96560	16.9
58.99858	2.8
63.77503	0.6
68.98284	2.5
69.03423	1.4
70.06563	3.2
70.65809	2.2
70.99836	0.9
71.70236	0.6
72.08145	1.6
73.02901	0.8
77.00900	2.0
81.03413	1.4
82.99850	1.8
83.19681	0.7
84.04536	0.6
84.08144	1.8
84.59297	0.7
84.96021	6.2
85.01403	3.8
85.02865	0.6
86.09694	1.8
86.99329	2.2
89.00887	1.3
91.02428	1.5
97.02871	1.3
98.97563	6.7
100.99140	0.8
101.00867	25.2
102.97006	1.0
103.02434	23.6
104.02502	0.7
105.00352	2.7
105.02184	2.0
110.97527	3.2
113.00851	1.3
115.00650	2.5
115.02402	2.7
116.98614	5.2
117.03982	8.2
119.01910	99.8
120.02006	2.0
121.01678	3.3
121.03471	16.5
121.32336	0.6
123.03202	1.6
124.99111	2.3
126.03967	0.9
127.02361	4.1
128.98605	3.5
129.00331	2.4
129.03995	1.0
129.07149	0.7
129.10170	0.9
131.01903	10.8
132.01900	0.8
133.00687	1.1
133.01646	11.5
133.03415	9.0
134.99667	3.0
135.03296	0.8
135.05026	11.3
137.02948	28.1
139.02467	1.6
140.98648	0.6
141.03998	1.4
142.03511	3.6
143.00165	5.2
143.01868	4.5
144.98163	1.1
145.03452	59.4
146.03636	1.3
146.99687	3.7
147.01369	27.3
148.57727	0.6
149.00996	0.9
149.02936	3.2
149.04759	0.7
151.02682	3.5
151.04506	2.7
153.00607	0.8
154.47482	0.7
155.01884	4.4
157.03455	17.0
158.99583	1.1
159.01335	0.8
159.03113	6.4
159.05023	15.2
161.01230	11.3
161.02951	32.9
162.03004	0.9
162.99139	3.0
163.04506	30.2
164.04581	0.9
165.01143	1.0
165.02460	10.2
167.01939	2.1
168.05064	3.0
169.01660	0.8
169.03450	3.0
170.03117	0.9
170.99875	1.5
171.01367	20.3
172.01558	0.8
173.02962	10.9
175.02684	0.6
175.04559	3.4
177.00725	1.9
177.04306	2.7
177.06090	5.9
179.02338	1.8
179.04005	6.1
180.05052	3.1
181.00148	0.7
182.06627	1.4
183.03484	2.3
184.04431	0.9
185.02924	32.7
186.06131	1.3
186.99219	1.3
187.02773	1.6
187.04494	17.5
189.02423	100.0
190.02397	1.5
190.98605	1.0
191.04005	1.6
199.00867	1.2
201.02400	2.4
203.02325	1.1
203.04001	19.1
203.07590	0.9
204.04253	1.1
205.00166	1.5
205.03917	0.9
205.05579	5.1
207.03487	28.4
208.04555	23.6
208.06520	1.0
208.99715	1.4
209.04526	0.9
212.04060	5.3
213.02437	1.6
217.02022	1.5
219.03552	3.4
221.05086	2.9
223.01270	1.2
226.05577	4.3
230.04930	0.9
231.03497	24.3
231.07011	2.4
231.14027	0.8
231.16122	3.2
249.04555	9.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	230.99
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96562	99.9
58.99850	5.7
65.31612	4.4
70.05131	23.2
70.06564	17.1
71.06908	5.3
81.03439	4.7
84.96017	25.5
86.09687	5.9
92.62785	4.0
96.15713	4.3
98.21612	5.3
98.97549	9.0
101.00883	23.7
102.97055	5.1
103.00592	5.5
103.02442	22.7
105.02188	9.9
105.06986	4.5
115.00651	7.3
116.98593	17.2
117.03997	9.9
119.01920	100.0
121.01645	19.6
121.03456	17.2
124.99110	12.1
131.01889	15.2
133.01671	28.5
133.03435	25.1
134.99626	8.4
135.05014	7.3
137.02951	26.8
139.02411	6.3
142.08627	7.3
143.00146	25.1
143.01848	6.4
144.98166	5.0
145.03455	52.0
146.99590	5.9
147.01376	26.8
149.02855	5.7
151.02744	7.5
151.04494	10.9
157.03494	26.2
159.03220	16.6
159.05023	26.0
161.01219	58.7
161.02769	26.9
162.99121	13.1
163.04482	26.9
165.02452	7.3
170.99695	6.2
171.01401	15.6
173.02892	8.0
175.04544	8.8
177.00717	9.3
177.04263	6.7
177.06061	8.5
179.02217	16.2
185.02840	43.6
186.99110	5.6
187.04556	25.6
189.00710	7.0
189.02414	73.4
190.98645	5.4
203.04071	26.2
204.50917	4.4
205.00191	8.6
205.05559	12.0
207.03482	19.8
208.04504	29.7
213.02438	5.0
217.00156	5.7
223.01233	5.9
230.15736	32.2
231.03278	20.9
231.06882	7.1
231.15981	9.8
248.99255	7.6
249.04564	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	230.9901
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96562	44.6
58.99879	6.8
60.08167	5.2
60.99587	5.0
63.09421	4.1
69.22852	51.8
70.06577	17.8
71.06915	5.3
71.95232	4.7
73.02911	5.1
77.55466	3.9
84.08125	5.1
84.96030	9.0
86.09704	13.1
98.21461	9.5
98.97559	12.5
101.00850	31.2
102.05542	5.7
103.02432	24.3
105.02178	6.7
109.02860	4.7
115.00614	9.1
115.02425	6.1
116.98591	10.6
119.01917	100.0
121.01628	13.5
121.03466	17.4
123.03225	7.0
128.98596	6.8
131.01918	22.1
133.01633	53.4
133.03397	27.1
133.06532	6.8
134.99596	6.3
135.05008	11.2
137.02956	21.2
139.02522	7.5
142.08685	5.4
143.00192	9.4
143.01906	14.3
143.08940	12.3
145.03441	50.8
146.99660	9.1
147.01366	26.9
151.02675	12.8
151.04556	6.5
155.01935	6.3
157.03450	46.6
159.03197	27.2
159.05058	19.5
161.01251	27.5
161.02904	37.3
162.99141	5.1
163.04500	24.6
165.02419	10.5
171.01387	18.5
173.02933	8.3
175.04454	8.9
177.00771	6.3
177.04318	9.5
177.06056	6.9
179.02286	7.8
179.03836	4.4
180.05083	14.2
185.02853	85.4
185.06555	4.9
187.02980	5.8
187.04539	19.4
189.00826	11.4
189.02419	60.3
203.04002	41.6
205.00288	5.2
205.05577	7.9
207.03465	22.8
208.04530	64.0
208.99681	7.2
230.15753	34.4
231.03517	21.1
231.10313	6.3
231.13837	5.7
231.16063	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	230.9814
Annotation	Unknow
Peak:m/z	Relative Intensity
53.51514	0.8
56.05033	1.1
56.96560	100.0
58.91684	0.7
58.99866	0.9
60.04517	1.8
61.01144	0.9
61.02913	0.6
69.03430	1.6
69.83232	4.2
70.06576	5.2
71.06931	1.3
71.95254	4.1
72.08158	3.2
72.96062	1.6
73.06549	5.4
74.97599	5.8
76.61973	0.7
82.12879	0.7
82.99854	0.9
84.08133	5.4
84.96025	30.6
85.01406	0.8
85.02900	1.3
86.09711	3.8
97.02883	1.8
98.97572	34.2
99.97935	3.0
100.99152	2.3
101.00867	10.8
102.97057	5.9
103.00630	1.0
103.02453	4.0
110.97589	1.3
112.99107	1.7
115.00694	8.9
115.02426	1.5
116.98611	28.5
117.04015	3.3
117.98969	3.3
119.00170	1.4
119.01913	45.4
120.98083	1.6
121.01644	7.0
121.03507	2.2
124.99107	10.8
126.97060	1.5
127.02450	2.4
127.98885	0.9
128.98637	1.9
129.03975	1.0
129.10280	2.7
130.08665	0.9
130.93417	0.9
131.00198	2.6
131.01907	4.1
131.02731	0.7
133.01726	6.9
133.03427	4.6
134.99635	19.2
135.05029	4.2
136.00005	1.4
137.02957	13.1
139.00754	0.7
139.02681	1.2
140.00201	1.5
140.98610	2.3
141.04012	0.9
142.03517	1.4
142.08667	1.3
143.00148	37.3
143.01961	1.6
143.08992	1.1
144.98068	4.6
145.03450	22.4
145.04515	1.2
146.99625	1.5
147.01375	4.2
149.01256	1.4
150.97203	0.8
151.02817	1.6
151.04550	1.0
153.00728	2.5
153.98679	1.0
154.05003	1.0
157.03465	2.4
158.99634	6.8
159.05026	22.3
159.11351	0.9
160.99315	3.0
161.01210	74.9
161.02907	4.9
162.99138	15.4
163.04482	9.4
165.02493	1.6
166.01639	0.9
168.00179	1.3
168.98181	1.1
169.03526	1.6
169.99922	3.5
170.99875	0.9
171.01358	3.8
171.05005	1.1
175.04568	2.2
177.00703	13.2
177.06058	10.6
179.02249	16.5
179.03806	1.0
181.00241	4.9
182.06715	1.0
182.98831	2.1
184.02847	2.7
185.01324	1.3
185.02910	8.4
186.99170	6.4
187.04509	20.1
188.97057	0.9
189.00742	2.5
189.02391	20.5
189.04073	1.7
189.06062	2.1
195.01797	2.8
200.04958	0.9
203.02129	0.6
203.03979	13.7
203.05751	1.0
203.99498	1.0
205.00180	8.9
205.05539	9.8
205.99185	1.0
206.98088	1.1
207.01811	2.0
207.03564	7.1
207.05232	1.4
208.04449	3.9
213.00711	0.8
213.02589	1.9
214.05367	1.5
219.03529	1.5
221.05164	2.2
223.01210	10.9
225.02814	0.9
225.08470	1.3
228.01506	1.0
230.15781	6.1
230.18130	0.9
231.03539	8.0
231.07112	7.1
231.14067	1.1
231.16577	1.4
241.02483	1.3
248.99193	5.7
249.04585	2.6
249.08420	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	230.07
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05029	0.7
56.96556	58.5
57.03434	0.6
57.04824	0.4
58.06592	1.6
58.96965	0.4
60.08149	1.4
61.08469	0.4
69.03419	1.3
70.01283	2.4
70.06577	9.2
71.04971	0.6
71.06918	4.0
71.95259	3.8
72.08142	2.6
72.96031	2.9
73.02925	0.7
73.06537	0.7
74.44841	0.4
74.97598	1.4
81.03414	0.7
83.97630	1.1
84.04494	0.9
84.08138	3.9
84.96027	4.4
85.02893	1.2
86.03528	0.4
86.09698	6.1
97.02888	1.2
98.06161	0.5
98.97568	100.0
99.97932	0.7
101.00867	1.7
102.00959	0.6
102.97056	0.8
103.02453	0.6
109.02895	0.6
110.97566	1.0
113.76115	0.4
114.05529	0.7
114.06637	0.8
114.09148	0.7
115.00710	0.7
116.00213	2.2
116.98604	90.6
117.03939	1.0
119.01896	8.2
120.02013	1.7
121.01633	0.9
124.07542	0.5
124.99099	0.7
125.62341	0.4
126.02293	2.0
127.03931	0.6
128.98579	1.1
129.10229	1.2
131.00142	0.5
131.01845	0.5
133.01707	1.4
134.01219	3.2
134.99637	57.7
137.02936	2.2
140.00171	2.7
140.03795	2.5
142.01685	0.6
142.05351	1.5
142.08621	3.7
143.00130	2.7
143.01994	0.8
143.08971	6.0
144.03288	1.9
145.03416	4.0
146.99586	1.0
147.01379	0.8
148.03764	0.7
152.02341	0.8
153.00687	8.6
158.01208	2.7
158.04855	4.9
158.99643	1.0
159.05009	3.2
159.11299	1.2
159.51068	0.5
160.06439	6.8
161.01208	5.5
161.02722	0.8
162.99048	1.0
163.04488	2.1
170.04774	0.6
171.01416	1.1
171.03227	1.0
171.08386	0.6
176.05923	1.9
177.00667	1.2
177.06094	1.0
178.07538	3.2
179.02312	1.1
179.03978	0.6
181.03384	1.0
184.04602	0.6
185.02892	1.0
186.99161	0.6
187.04544	2.0
188.01021	0.7
188.05905	5.4
189.00758	0.9
189.02460	3.3
189.04320	13.8
199.04433	1.4
202.07558	1.1
203.04037	2.3
203.05763	0.6
205.00217	0.9
205.05515	1.2
205.67967	0.5
206.06961	8.6
207.01703	0.7
207.03511	1.0
207.05357	12.8
212.05872	1.1
212.07603	0.5
216.00479	0.6
220.08530	0.6
223.01346	0.6
224.08022	14.2
230.04794	0.9
230.06950	12.4
230.11082	0.9
230.15776	29.0
230.18279	1.2
231.03519	0.8
231.05388	2.1
231.07411	0.7
241.15033	0.5
242.09067	0.4
248.08032	28.5
248.99229	0.5
249.06462	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1796
Annotation	Sarmentol D
Peak:m/z	Relative Intensity
51.71761	0.9
53.03920	1.4
55.01846	1.2
55.05500	6.4
57.03435	4.9
57.07087	5.1
59.04995	1.1
60.96761	1.0
67.05499	13.5
68.09967	1.1
68.99770	0.9
69.03423	3.8
69.07065	10.6
70.06579	10.1
70.77810	0.9
71.04982	12.8
71.16314	2.2
72.08181	1.6
73.06533	1.9
75.04479	1.5
79.05476	6.7
81.07052	30.8
82.14419	1.0
83.04961	1.6
83.08598	3.5
84.08128	1.9
85.06543	2.5
86.06014	1.1
86.09689	4.6
91.05457	6.7
93.07029	16.5
93.21752	1.0
95.04953	3.0
95.08594	26.7
97.02892	1.4
97.06521	2.6
97.10159	1.9
98.97569	1.5
99.00824	1.2
99.04433	1.5
100.11256	2.4
101.06004	1.4
105.03371	1.6
105.07021	15.3
107.08590	18.1
109.02909	1.4
109.06522	2.4
109.10146	14.8
111.08067	2.6
113.09626	2.1
115.05431	2.8
115.07542	4.7
117.07010	2.9
119.01921	5.7
119.08571	23.2
121.06506	1.4
121.10131	61.7
122.10518	1.2
123.08076	5.0
123.11694	100.0
124.11984	1.3
125.09615	5.7
127.07566	2.5
128.06227	3.6
129.06976	5.2
131.08583	4.8
133.06520	1.4
133.07639	1.6
133.10126	20.7
135.11678	22.1
137.09596	2.7
137.13237	14.9
139.11171	1.8
141.06950	4.9
141.09195	1.1
142.07756	1.9
143.08568	9.6
145.06453	2.3
145.10135	3.7
147.11647	4.4
149.13274	4.5
153.06934	4.0
154.07687	1.3
155.08501	7.3
157.10115	5.0
159.08057	3.3
159.11678	3.6
161.03004	1.6
168.09315	6.9
171.08069	1.6
173.05983	2.8
173.09593	2.5
173.11813	2.1
173.13271	3.2
173.16524	1.7
175.14810	30.2
181.10135	1.5
183.11671	20.2
187.07593	3.0
187.11177	3.8
189.12711	2.7
193.15842	13.9
201.09023	1.5
201.12738	4.3
211.11203	3.6
211.14973	1.6
211.16891	22.9
229.05042	1.4
229.08688	5.1
229.12193	14.3
229.15753	4.3
229.17989	11.6
230.15472	3.4
247.13408	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1546
Annotation	Unknow
Peak:m/z	Relative Intensity
53.10368	0.2
55.01870	0.7
56.96556	6.1
57.03429	0.7
58.06589	6.3
59.07372	1.2
60.08156	8.0
61.02924	0.3
68.05017	1.3
69.03414	0.7
70.06582	39.0
70.57863	0.5
70.58259	0.5
71.06892	0.3
71.95240	0.3
72.08175	0.8
72.96025	0.3
73.02913	0.4
81.03403	0.5
84.04491	0.3
84.08156	0.6
84.96043	0.3
85.02883	1.0
85.05170	0.2
86.09702	1.0
91.05441	0.2
96.08120	1.6
97.02877	0.9
98.06037	0.6
98.96935	0.5
98.97571	8.8
98.98211	0.5
99.04417	0.2
101.00865	0.8
105.06977	0.3
107.04973	0.4
109.02861	0.6
110.97516	0.2
111.04445	0.3
114.05514	4.6
114.06360	0.3
114.06646	0.4
114.09142	1.9
116.00224	0.4
116.07043	1.1
116.98608	7.8
119.01903	3.7
120.01996	0.3
120.03456	0.2
121.01669	0.2
124.07572	3.7
126.09150	1.0
127.03887	0.4
130.93227	0.3
131.01907	1.2
132.02170	0.2
133.03413	0.5
134.01254	0.3
134.99637	4.4
137.02925	0.9
139.08676	0.2
140.03830	0.4
141.03761	0.3
142.08615	35.9
143.01849	0.6
143.08878	0.6
145.03445	0.8
149.02937	0.3
153.00684	0.7
153.03978	0.2
155.01883	0.3
157.03467	0.4
158.04909	0.6
159.03110	0.2
160.06435	0.8
161.02936	0.5
162.04457	1.0
162.54646	0.2
169.03496	0.3
169.06125	0.3
170.04944	0.3
170.08087	2.4
173.02974	0.3
174.04422	0.3
175.04706	0.6
177.00751	0.4
178.07426	0.3
183.11629	0.5
183.14813	0.3
185.02956	0.7
187.00929	0.5
187.02670	0.4
187.04530	0.5
188.05859	0.4
189.04308	1.6
190.95352	0.3
199.04393	0.3
201.04259	0.2
201.10788	0.2
205.03786	0.3
205.05650	0.4
206.06940	1.5
207.05365	1.2
215.00204	0.3
221.05083	0.3
223.04672	0.2
224.07994	2.2
229.15439	100.0
230.06924	1.2
230.15776	1.8
231.05312	0.3
247.04741	0.4
248.08031	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	227.1639
Annotation	Annuionone G
Peak:m/z	Relative Intensity
55.05501	10.4
57.03426	16.9
57.07064	4.3
59.04982	6.4
67.05495	18.9
69.03418	17.1
69.07060	25.3
69.87555	5.1
69.87961	7.5
71.04986	15.1
73.28963	2.4
75.04456	3.7
79.05492	14.7
81.07051	35.2
83.04967	17.3
83.08600	8.2
85.06518	6.6
91.05467	11.0
93.07027	22.4
95.04916	8.6
95.08598	23.5
97.06515	7.2
99.08023	2.4
100.11271	3.8
105.07028	18.8
107.08578	79.5
107.09309	4.9
109.06496	15.3
109.10139	69.1
110.10441	2.3
111.08075	8.5
119.08570	9.1
121.06490	5.9
121.10135	71.9
122.07286	5.5
123.08053	9.7
123.11691	16.9
125.09595	16.7
131.08562	12.3
133.10114	18.1
135.08028	15.6
135.11668	14.2
137.09593	39.7
139.11183	10.8
143.08545	4.0
143.10629	4.1
145.10135	9.5
147.11668	9.2
149.09595	8.9
149.13251	34.3
151.11156	100.0
153.09056	8.0
158.10843	2.7
163.14783	29.1
165.12755	7.7
169.12224	26.8
173.13222	36.7
181.06073	2.5
191.14281	55.1
209.15324	11.6
227.16344	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	227.1639
Annotation	Annuionone G
Peak:m/z	Relative Intensity
52.84048	1.6
53.03954	2.7
55.01870	2.9
55.05506	19.8
56.96564	2.1
57.03431	19.4
57.07064	7.0
59.04990	7.1
65.03936	2.8
67.05492	19.5
69.03419	18.9
69.07061	21.6
70.86016	4.8
71.04981	17.1
75.04485	4.2
79.05493	15.3
81.03410	3.0
81.07047	33.4
83.04971	21.0
83.08600	13.7
85.06527	6.0
86.09704	3.7
91.05468	14.9
93.07034	24.2
95.04951	7.4
95.08596	27.3
97.06526	9.6
97.10181	5.1
98.57623	2.0
98.97540	2.0
99.04454	4.6
99.08089	3.3
100.11269	10.8
105.07020	17.1
107.04952	3.9
107.08581	73.2
109.06519	14.1
109.10146	68.3
111.08080	8.2
117.06998	2.5
119.08585	9.4
121.06475	11.6
121.10131	65.0
122.07288	3.8
123.08044	10.6
123.11682	13.1
125.05942	1.9
125.09618	15.0
128.06201	2.5
131.05000	1.7
131.08542	8.8
133.10098	21.5
135.08058	16.1
135.11687	17.4
137.06012	2.3
137.09607	34.0
137.13176	2.8
139.11162	8.7
143.08575	5.3
143.10677	3.8
145.10123	7.3
147.11618	8.1
149.05969	2.6
149.09621	7.6
149.13235	32.4
151.11165	100.0
153.09111	5.6
153.12767	5.7
157.10152	2.0
158.10890	4.6
159.11720	1.8
163.14798	32.1
165.12770	6.2
167.07025	23.1
169.08546	1.6
169.12210	27.6
170.12651	1.7
171.08046	1.8
171.11705	2.9
173.13223	38.1
177.05464	5.9
191.14285	65.1
195.06474	1.8
209.15285	13.7
227.07027	3.8
227.10638	3.4
227.14299	3.3
227.16437	6.3
227.18181	2.1
234.03938	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1544
Annotation	H-Pro-Leu-OH
Peak:m/z	Relative Intensity
55.01857	0.7
56.96548	0.3
58.06592	5.9
59.07378	1.3
60.08159	7.0
66.72358	0.3
68.05018	0.8
70.06583	41.2
70.13235	0.9
71.06905	0.3
72.08179	0.7
73.02907	0.3
77.99693	0.3
96.06860	1.3
96.08105	1.9
97.02892	0.6
97.07632	0.3
98.06055	0.9
98.21476	0.4
101.00815	0.3
103.02414	0.7
113.00875	1.1
114.05522	3.8
114.06364	0.4
114.06609	0.3
114.09147	2.0
115.02385	0.4
116.07076	1.1
119.01886	1.4
121.03493	0.6
123.05496	0.3
124.07566	3.0
125.07095	0.5
126.09144	0.8
131.01892	4.7
133.03448	0.5
139.04195	0.3
139.08676	0.8
142.08615	31.9
143.08917	0.3
148.04800	0.4
149.02940	1.2
157.03455	3.1
169.06055	1.3
170.08075	1.7
175.04520	0.9
185.02908	0.7
201.02484	0.7
203.03915	0.4
227.91800	0.3
229.08226	3.1
229.15443	100.0
230.15820	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1639
Annotation	MKN-003C
Peak:m/z	Relative Intensity
53.03934	4.6
55.01865	3.1
55.05501	28.0
56.01272	2.2
57.02001	1.8
57.03418	6.3
57.07057	7.9
59.04992	3.8
63.83547	1.9
67.05502	29.5
69.03088	2.9
69.03424	37.8
69.07059	41.7
70.23636	5.7
71.04984	36.7
73.06545	2.2
79.05483	49.9
81.03384	7.1
81.07047	54.6
83.04972	20.5
83.08605	17.0
85.06517	7.0
91.05479	23.3
93.07032	49.3
94.07314	2.2
95.04958	9.9
95.08598	47.8
97.06500	11.4
97.10155	22.1
99.08086	5.2
105.07024	22.2
107.04929	8.7
107.08581	100.0
107.73089	2.0
108.08897	2.9
108.11809	2.1
109.06516	13.6
109.10149	43.1
111.08060	20.0
115.07545	8.6
117.06992	6.1
119.06145	2.2
119.08549	9.7
121.06481	14.0
121.10136	35.3
123.08060	9.0
123.11697	11.0
125.09620	27.1
129.09090	4.4
131.08540	15.4
133.10106	14.6
135.08041	30.5
135.11678	11.1
137.09547	11.5
139.07512	5.7
143.10655	6.6
145.10107	5.9
147.11668	16.5
149.09589	15.1
149.13220	13.9
151.11157	21.4
153.09099	9.2
158.10892	3.5
161.13159	2.4
163.11179	2.3
163.14812	16.9
165.12723	10.9
173.13268	25.4
191.14278	27.7
209.15321	16.6
227.16414	13.2
235.25648	2.2
245.39565	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	227.1276
Annotation	11-Hydroxyjasmonic acid
Peak:m/z	Relative Intensity
52.27121	1.7
55.01868	28.9
55.05510	14.5
56.96551	1.5
57.03423	3.2
57.07062	4.7
67.05503	13.6
68.99770	1.8
69.03421	4.9
69.07063	21.3
69.57635	10.2
71.04976	4.9
73.02891	3.5
73.56757	1.2
79.05486	11.0
81.03404	3.1
81.07051	18.4
83.04958	4.6
83.08599	9.1
85.02906	2.4
85.06535	16.5
85.10162	1.2
91.05474	11.9
93.07042	18.4
95.01903	1.5
95.04974	8.9
95.08604	25.1
97.02864	1.5
97.06521	21.6
97.10091	1.7
99.04443	5.8
100.11256	19.1
103.05458	4.1
105.07015	13.9
107.04932	4.7
107.07870	2.8
107.08583	38.0
109.02876	2.6
109.06519	13.2
109.10147	5.1
111.04448	1.9
111.08058	10.2
113.05994	4.0
117.07114	1.4
119.01886	4.7
119.08632	3.0
121.06508	9.3
121.10121	11.0
123.04415	3.4
123.08067	11.7
125.05993	3.4
125.09617	2.2
127.07552	1.8
128.06221	1.6
129.07002	2.6
131.01909	2.6
131.04913	1.9
131.08556	2.6
133.06444	1.5
133.10193	1.5
135.08035	4.1
135.11668	5.4
137.05952	5.7
139.07552	1.9
139.11179	2.6
140.04659	2.9
143.01903	1.9
143.08514	3.4
145.03368	1.7
145.10115	8.7
147.11658	2.0
149.05998	6.9
149.09576	5.1
151.07564	14.2
153.09106	5.7
155.06992	2.4
157.03444	1.5
157.10136	3.6
161.02997	1.8
163.11186	17.9
167.07039	39.6
167.10666	7.3
169.08595	100.0
170.09048	1.8
171.11646	3.7
173.09647	2.3
177.05501	10.2
180.41457	1.3
181.04892	1.8
181.08682	3.0
181.10121	1.7
181.12233	7.9
185.09752	1.2
185.11653	2.3
185.13203	1.8
191.10721	6.5
195.10161	3.7
199.11276	1.6
206.07890	1.8
209.08093	5.6
209.11731	5.5
209.13493	1.5
209.16649	1.6
215.08328	4.3
225.09402	1.4
226.59314	1.5
227.07063	3.3
227.10542	4.2
227.12666	3.6
227.14307	4.7
227.17915	8.5
227.19826	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.164
Annotation	Annuionone G
Peak:m/z	Relative Intensity
51.02368	1.1
53.03949	7.2
55.01848	2.5
55.05500	9.8
56.96561	11.4
57.03416	2.5
57.07066	1.9
57.85712	0.8
59.04983	2.2
62.95131	0.9
67.05496	7.1
69.03426	6.5
69.07062	7.2
70.06592	1.3
71.04996	5.7
71.52481	1.0
77.03854	2.0
79.05490	8.8
79.09394	0.8
81.03404	1.8
81.07049	9.5
83.04964	4.8
83.08606	5.3
84.96011	3.3
85.06514	2.3
86.09706	4.7
91.05475	3.7
93.07032	9.0
95.04968	16.6
95.08588	8.0
97.06508	5.4
97.10175	2.4
98.97573	10.3
99.04451	2.1
99.08093	2.1
100.09422	1.5
100.11243	14.2
104.42736	0.8
105.03383	100.0
105.04512	3.7
105.07030	6.2
106.03702	9.7
107.04927	1.5
107.08586	18.7
109.06513	4.7
109.10143	11.1
110.97534	1.0
111.08075	2.6
112.99155	1.0
115.07513	1.1
116.98611	7.2
117.07005	1.5
119.08559	4.1
121.06496	2.9
121.10127	13.0
122.33331	0.9
123.04459	1.1
123.08031	3.1
123.11701	4.0
125.09610	4.7
127.07539	1.1
128.98589	2.0
131.00142	2.8
131.08545	2.7
133.10126	6.2
134.99646	2.8
135.08035	3.0
135.11647	3.3
137.09612	5.4
139.11148	2.3
143.00117	1.2
145.10121	2.2
146.99565	1.2
147.11642	2.6
149.01205	5.3
149.09590	2.9
149.13249	6.8
151.07533	1.2
151.11177	11.6
153.09106	1.6
161.01224	1.6
162.99231	1.0
163.11226	1.4
163.14778	4.7
165.12759	1.8
167.02307	1.9
167.07028	6.2
168.98077	5.8
169.08530	5.9
169.12250	3.0
173.01228	2.4
173.13251	8.4
177.05525	1.2
179.90207	0.9
181.04935	1.4
186.99159	13.7
187.99417	1.6
191.02217	2.5
191.14301	12.4
201.00618	2.1
203.02206	1.1
205.00215	5.8
209.08109	1.3
209.15169	2.1
215.03903	6.4
215.54088	1.6
219.01727	6.5
220.01909	1.4
224.04446	1.2
227.06941	2.0
227.10551	1.5
227.14384	1.4
227.16405	3.8
237.02794	2.0
242.03409	1.0
243.01765	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	227.1275
Annotation	Tuberonic acid
Peak:m/z	Relative Intensity
51.02360	1.2
53.03942	1.6
55.01867	36.3
55.05506	12.3
57.03426	3.5
57.07061	5.2
59.04997	1.3
60.02512	1.0
61.21944	0.9
63.68057	0.9
65.03896	1.0
67.05505	13.7
69.03419	7.0
69.07063	21.0
70.17015	1.9
70.17430	3.3
71.04990	11.1
73.02920	1.2
73.24200	0.9
78.04708	1.1
79.05489	11.7
81.03396	1.4
81.07044	18.3
83.04967	7.4
83.08617	3.8
85.06537	15.2
86.09690	3.2
87.04463	1.1
88.97672	0.8
91.05468	9.2
93.07034	16.6
95.04955	6.5
95.08601	33.4
97.06519	19.3
97.10154	2.6
99.04449	8.4
99.08102	1.6
100.11245	10.1
101.06004	1.1
103.05484	1.5
105.07024	15.5
107.04952	4.4
107.08579	49.1
109.06513	14.8
109.10149	10.2
111.08092	4.7
113.06007	4.2
113.09619	1.5
115.05392	1.1
115.07580	1.6
117.07013	2.6
119.04791	0.9
119.06045	0.9
119.08559	5.5
121.06517	10.1
121.10139	20.0
123.04421	2.7
123.08054	13.5
123.11713	3.5
125.05978	1.6
125.09594	4.9
131.08557	2.5
133.06470	2.6
133.10094	4.9
135.08044	5.2
135.11676	7.2
137.05954	2.0
137.09555	4.9
139.07637	1.3
139.11189	3.4
143.08640	1.5
143.10672	1.2
145.10091	8.6
146.87335	0.9
147.11652	2.9
149.05968	3.1
149.09595	7.5
149.13251	6.9
151.07532	14.9
151.11163	10.9
153.09081	2.0
163.11160	16.9
163.14798	4.8
165.12822	2.5
167.07011	15.6
167.10667	6.3
169.08588	100.0
169.12227	2.8
171.11560	1.1
173.09647	2.6
173.13269	6.3
177.05499	5.2
181.08583	1.4
181.12224	8.3
185.11734	1.4
187.77640	0.9
191.10600	5.6
191.14291	8.6
209.08101	2.5
209.11716	4.0
209.15331	2.9
227.07011	1.4
227.10759	1.5
227.12755	5.7
227.16217	2.2
235.72914	0.9
236.22961	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1275
Annotation	Tuberonic acid
Peak:m/z	Relative Intensity
55.01867	34.3
55.05496	3.4
56.43815	0.5
57.03427	1.1
57.07072	2.8
65.03931	0.8
67.05500	10.6
69.03427	4.3
69.07060	19.0
71.04984	5.1
71.16547	1.0
71.16895	0.8
79.05489	8.3
81.07047	9.1
82.38403	0.6
83.04955	1.7
83.08584	0.9
85.06539	14.4
91.05466	5.3
93.06494	0.8
93.07038	13.1
95.04952	4.3
95.08599	24.8
97.06521	16.0
99.04438	7.2
100.11252	0.8
101.06009	0.7
105.07023	12.4
107.04932	2.3
107.08585	32.5
109.06503	10.0
109.10145	1.3
111.08070	1.9
113.05990	3.6
115.07568	0.7
117.07015	1.3
119.08561	2.9
121.06499	6.0
121.10131	7.9
121.56213	0.5
123.07200	0.9
123.08056	13.0
125.05989	1.2
125.09569	0.8
127.07522	1.5
128.17932	0.6
130.07779	0.9
131.08545	1.5
133.06464	2.1
133.10121	0.9
135.08055	1.2
135.11674	4.0
137.09576	0.9
139.07518	0.8
139.11166	2.1
145.10117	6.7
147.11655	1.5
149.05940	0.6
149.09592	3.2
151.07529	15.3
151.11174	0.7
153.09119	0.8
153.12669	1.0
157.08542	0.7
163.11163	15.9
163.14793	0.8
164.11533	0.8
165.12737	0.5
167.07002	3.5
167.10684	5.5
169.08588	100.0
170.08916	1.3
173.09563	1.6
173.13313	0.6
177.05513	1.1
181.12209	8.7
182.12608	0.6
182.15404	0.7
185.11852	0.5
191.10632	5.7
191.14345	1.2
199.19568	0.5
209.11740	4.4
223.85779	0.6
227.12683	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	226.0559
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	1.6
55.01866	2.5
55.05500	1.2
56.96334	1.2
56.96564	14.3
57.03427	4.7
58.99866	4.3
61.02922	5.5
67.05487	1.2
67.76696	1.1
68.98291	2.8
69.03431	9.6
69.07054	1.2
70.06589	6.8
70.99868	1.3
71.05003	1.8
71.52227	2.0
73.02909	11.5
77.00903	7.1
81.03410	4.8
82.06562	2.0
82.99825	1.8
83.00758	1.1
83.04961	1.5
83.06092	2.7
84.04499	2.7
84.08131	3.8
84.96040	1.3
85.02896	11.4
86.99342	5.6
88.03989	1.4
89.00898	1.4
91.05470	3.4
95.01936	3.2
95.04994	1.5
97.02879	9.2
98.09676	5.4
98.97587	9.7
99.04481	2.8
100.02507	2.5
101.00874	24.8
103.02420	5.5
104.01274	1.5
105.00372	5.7
107.01849	1.5
107.04941	4.1
108.50304	1.4
109.02847	3.2
110.01303	3.7
110.07133	1.7
111.02924	1.7
112.07620	2.9
113.00874	8.1
113.02386	3.2
115.02421	11.2
116.98599	6.7
118.01144	3.2
119.01909	87.2
119.04892	1.7
120.02014	2.7
120.05612	1.4
121.01630	1.8
121.03455	2.5
122.05828	2.3
123.01389	1.8
124.02403	1.4
125.05931	1.1
125.07095	6.7
127.02386	4.7
127.03895	3.3
128.02322	6.7
128.98642	2.9
129.03938	5.6
130.08656	2.5
131.01895	56.9
132.01968	3.2
133.01694	1.7
133.03468	13.5
134.99649	3.1
135.01378	1.5
136.07535	1.1
137.00720	1.4
137.02939	16.1
138.00713	2.0
139.02426	2.3
139.97749	1.6
140.03345	1.7
140.98596	1.5
142.03520	6.1
143.00183	1.5
143.01901	18.0
143.02911	1.7
145.03450	46.9
146.03777	1.6
146.04999	1.5
146.99661	3.7
147.01376	7.8
147.05080	11.0
149.02954	9.9
151.04541	2.0
151.08720	1.1
153.02379	1.3
153.57088	1.1
154.03462	4.9
154.06480	1.4
155.01881	34.9
156.02647	4.2
156.05034	3.5
157.03458	21.7
158.99646	3.1
159.01402	1.5
159.05070	3.5
160.04558	2.5
161.01224	2.6
161.02936	29.6
162.03181	1.1
162.99129	2.5
163.04488	10.7
164.04568	1.3
164.07086	1.2
165.01170	1.4
166.03493	2.0
167.01910	3.6
167.06958	2.7
168.05067	5.3
168.99995	2.1
169.03474	2.9
170.03105	1.4
170.06664	2.1
170.99791	2.2
171.01392	1.5
171.04904	1.3
173.02956	76.3
174.01810	6.8
174.03091	1.8
175.04614	7.1
177.00801	2.4
177.02472	3.8
178.03520	2.6
178.07407	2.5
179.03911	1.3
180.05042	2.0
180.10193	1.5
183.02322	1.6
184.04503	5.6
185.02945	26.7
186.06090	1.7
187.04556	4.9
188.97014	2.4
189.00731	4.6
191.03981	9.1
196.04550	15.1
199.04546	1.7
201.00652	1.7
201.06038	1.6
202.98640	2.4
203.02287	2.4
203.03992	50.5
204.04593	1.4
206.02597	3.4
206.98119	2.4
207.06421	2.6
208.04482	2.7
208.06175	1.8
209.12852	13.6
214.05682	2.1
215.03694	1.3
219.01849	2.6
221.05054	100.0
222.05284	3.3
223.06123	2.7
225.06772	1.2
226.05499	11.1
226.07146	1.3
226.12971	2.0
226.15466	7.6
227.04056	2.9
227.06610	2.5
230.98181	1.3
239.06100	1.6
244.06648	15.6
244.08788	1.4
245.04991	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	225.1484
Annotation	Apiosporic acid
Peak:m/z	Relative Intensity
55.01888	4.7
55.05505	17.8
57.03419	4.9
57.07064	5.6
59.04992	13.0
60.08234	3.3
61.02925	57.5
61.47638	3.2
67.05504	27.6
69.03413	17.5
69.07066	59.6
69.95850	3.8
70.73280	12.6
71.04987	47.8
73.06537	4.8
79.05480	29.8
81.03391	9.4
81.06598	4.3
81.07056	53.3
83.04973	22.3
83.08596	10.2
87.04442	12.5
91.05470	39.3
93.06492	5.5
93.07039	100.0
95.04943	11.8
95.08602	40.4
96.99299	3.3
97.06519	23.7
98.21506	4.8
103.05460	7.1
105.03400	4.0
105.07023	93.1
107.04957	5.9
107.08583	50.3
109.06513	68.2
109.10139	16.4
111.08051	16.5
115.07568	50.3
117.06998	11.5
119.08579	90.9
121.06496	17.3
121.10132	55.8
122.07291	8.1
123.08035	26.3
123.11692	21.8
129.06990	5.4
131.08540	17.6
133.06491	11.0
133.10123	38.4
135.08032	13.5
135.11629	13.6
137.09613	74.4
141.09065	7.4
143.08591	8.6
145.10109	12.7
147.08015	24.0
147.11679	70.0
149.09619	66.7
151.07565	30.3
151.11171	96.9
156.08180	4.0
156.09343	17.4
159.08066	13.7
159.11668	16.2
161.09641	20.6
161.13239	40.3
163.11162	17.2
165.12744	20.4
171.11642	21.4
174.10361	25.9
177.12683	11.5
189.12740	70.8
207.13777	53.2
225.14847	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	225.1483
Annotation	Apiosporic acid
Peak:m/z	Relative Intensity
53.03931	8.3
55.05503	19.3
57.07071	7.1
58.49474	4.2
59.04994	6.2
61.02918	29.0
65.38190	3.8
67.05497	48.1
68.77853	3.8
69.03426	99.8
69.07061	38.3
69.38172	8.2
69.38574	30.3
71.04987	27.7
73.06554	4.8
79.05484	42.3
81.03419	11.5
81.07053	73.3
83.04960	19.7
83.08614	11.5
85.06520	6.9
87.04459	5.1
90.82653	4.3
91.05482	38.1
92.65739	3.7
93.07040	56.4
95.04964	25.9
95.08607	43.2
97.06530	25.5
99.04460	8.4
105.03417	4.0
105.07030	100.0
107.04969	8.3
107.08593	37.0
108.77684	4.6
109.06499	51.0
109.10158	26.7
111.08075	16.7
115.05507	4.3
115.07567	22.8
117.07000	6.9
119.08569	72.2
121.06478	11.7
121.10130	56.5
122.07255	13.2
123.04417	27.0
123.08038	24.6
123.11709	12.1
130.07686	4.8
131.08513	6.8
133.06480	22.1
133.10123	86.5
135.08041	12.6
135.11700	12.0
137.05954	9.8
137.09598	90.8
137.13235	3.9
139.11176	21.3
141.06984	6.9
141.09108	4.4
143.08572	5.5
145.10133	15.2
147.04359	3.8
147.08052	14.2
147.11679	63.7
149.09599	31.3
151.07549	25.0
151.11177	45.8
156.09380	20.8
159.08066	6.7
159.11682	9.0
161.09659	16.0
161.13242	37.3
163.11194	15.9
165.12723	7.9
171.11702	29.1
174.10347	27.6
174.72974	4.7
177.12740	11.7
189.12741	64.4
196.39639	4.8
207.06516	5.8
207.13805	65.0
225.14862	27.8
243.01570	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	225.1482
Annotation	Apiosporic acid
Peak:m/z	Relative Intensity
52.86250	1.8
53.03935	3.4
55.05496	11.1
57.07069	3.7
59.04985	1.8
63.02406	1.7
65.03912	2.1
67.05501	28.3
69.03424	100.0
69.07061	14.0
70.28674	5.4
71.05004	3.4
79.05488	21.3
81.03425	3.0
81.07047	40.4
83.04970	7.4
83.08594	3.9
87.04455	1.8
87.63503	1.6
89.67374	1.9
91.05476	16.1
93.07041	21.0
95.04976	17.4
95.08599	26.9
97.02921	1.7
97.06529	5.7
104.37988	1.9
105.07024	46.1
107.04947	3.8
107.08594	14.2
109.06506	23.3
109.10165	11.4
111.08065	8.8
115.05418	2.4
117.06982	3.2
119.08574	31.3
121.06487	4.9
121.10130	20.0
122.07288	7.0
123.04426	17.4
123.08080	11.8
123.11737	5.1
125.09624	2.8
131.08554	4.1
133.06497	12.7
133.10121	53.6
135.08028	3.8
135.11649	2.9
137.05986	5.1
137.09602	43.1
139.11171	19.8
145.10118	7.2
147.08017	7.4
147.11682	29.8
149.09637	4.2
151.07564	6.3
151.11148	8.8
156.09351	8.3
159.08078	2.4
159.11719	5.8
161.09662	2.7
161.13228	15.8
163.11153	8.5
165.12779	3.0
171.11731	9.2
174.10394	9.1
177.12732	2.5
189.12718	21.4
207.13779	32.7
225.14944	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	225.1483
Annotation	Apiosporic acid
Peak:m/z	Relative Intensity
52.10603	2.6
53.03939	2.3
55.05497	7.5
57.03421	2.6
57.07064	2.5
59.04990	2.5
61.02924	56.0
67.05490	8.4
69.03431	17.8
69.07060	19.7
70.84811	6.7
71.04996	18.3
79.05484	11.5
81.03414	7.5
81.07060	21.0
83.04981	10.1
83.08614	3.5
87.04475	3.1
91.05476	17.7
93.07041	21.0
95.04981	10.3
95.08604	17.3
97.06515	10.9
99.04455	3.0
103.05476	2.0
105.07025	37.9
106.56436	2.0
107.04951	2.4
107.08575	16.4
109.06504	35.5
109.10157	7.5
111.08121	3.8
114.98031	1.9
115.07571	17.2
117.07021	2.1
119.04875	2.1
119.08576	40.0
119.09375	3.6
121.06506	9.2
121.10144	22.3
122.07226	2.4
123.08063	22.9
123.11691	9.7
127.99755	1.8
131.08556	2.8
133.06451	6.4
133.10110	9.8
135.08040	5.1
135.11687	5.8
137.09619	29.4
143.08592	4.5
145.10129	7.2
147.08044	8.1
147.11674	45.0
149.09604	31.0
151.07539	11.4
151.11182	19.9
156.09354	6.3
159.08096	2.2
159.11591	3.5
161.09615	5.5
161.13235	14.7
163.11148	6.7
165.12750	46.5
171.11702	10.0
174.10413	7.4
177.12743	8.1
189.12697	21.4
207.13847	16.3
225.14859	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.0755
Annotation	2-Benzylmalic acid
Peak:m/z	Relative Intensity
53.03920	0.6
55.01860	0.7
65.03928	3.1
67.05501	0.9
69.03418	1.2
70.77514	1.3
71.05006	0.6
77.03929	1.5
79.05485	1.3
81.03362	0.7
81.07023	1.4
85.02905	4.8
89.03902	1.6
90.04704	0.5
91.05476	45.4
92.05836	0.7
93.07032	1.5
95.04971	2.7
99.04446	1.2
99.36050	0.6
103.05428	1.5
104.02599	0.6
105.03384	1.4
105.07028	1.8
107.04945	1.0
107.08571	0.9
108.05698	0.9
108.78364	0.5
109.06526	0.7
109.10166	0.8
111.04450	0.6
117.03365	0.8
118.03381	0.7
118.04144	6.4
119.04933	54.4
119.08523	1.5
120.05293	0.7
121.02827	1.5
121.06525	0.8
121.10114	1.7
123.04422	3.1
123.08038	0.9
123.11696	3.8
125.05981	0.7
127.15712	0.5
129.03381	1.2
129.04422	0.7
132.02055	3.6
133.02829	1.0
135.04388	2.1
136.05122	1.5
137.05902	0.7
137.09517	0.8
145.02803	1.5
146.03578	1.6
147.04396	45.2
147.11635	0.9
148.04886	0.5
149.02324	8.2
149.09625	0.9
150.03116	0.8
151.03946	0.7
151.07510	1.0
153.05453	1.2
154.06300	0.6
155.07051	0.9
157.03967	3.8
162.03079	0.6
163.03860	1.5
163.11198	0.7
164.04697	5.6
167.06990	1.0
170.16019	0.5
174.03149	1.7
175.03894	76.7
176.04257	1.5
177.01831	2.6
179.07043	4.7
181.08517	0.6
183.06519	1.9
189.12761	0.8
192.04150	24.7
193.04808	1.1
207.06511	100.0
208.06836	2.2
225.07417	1.7
225.14803	0.8
238.68321	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.0716
Annotation	Unknow
Peak:m/z	Relative Intensity
53.48154	0.4
56.05013	0.5
56.96564	1.2
57.81042	0.5
64.80085	0.5
67.05505	0.8
69.79857	1.1
69.80276	2.0
79.05490	0.6
81.07046	0.7
82.99857	0.8
84.96023	1.5
89.44332	0.5
98.21407	0.8
98.97632	0.7
101.00860	9.0
103.02451	0.6
105.03349	0.9
106.74726	0.5
107.08539	0.6
116.98698	1.2
119.01908	60.5
119.24685	0.4
120.02012	2.2
123.08040	0.6
131.01883	0.6
133.03423	0.5
134.99843	3.5
137.02942	24.8
138.03059	0.9
140.98831	1.4
142.03458	5.1
145.48695	0.6
153.00961	3.4
157.03394	0.7
158.99861	5.0
160.04538	2.1
161.02922	1.4
169.08571	0.6
173.12164	0.6
175.03035	0.9
176.02612	0.5
177.00934	100.0
178.01028	11.4
178.94205	0.6
179.00764	2.1
179.03989	3.2
182.99852	2.3
183.06145	1.1
184.04439	1.2
185.02927	0.7
193.04074	1.4
195.01999	3.5
200.02528	1.8
201.00824	6.4
201.02472	3.0
201.07266	0.8
202.00891	0.7
202.02586	1.7
202.05644	1.6
206.54510	0.6
217.04047	10.8
218.03946	1.7
219.01971	87.4
220.02058	15.6
221.01880	2.4
224.00142	0.5
225.00769	3.9
225.04292	1.2
225.09239	0.7
227.01994	0.5
234.00629	1.2
240.05583	1.0
242.03575	3.3
243.01900	11.7
244.02019	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.0755
Annotation	2-Benzylmalic acid
Peak:m/z	Relative Intensity
53.03925	2.6
55.01863	2.6
55.05497	3.6
57.03422	1.9
57.07069	2.0
59.04973	2.0
65.03936	3.8
67.05505	6.1
68.99809	1.2
69.03419	3.2
69.07059	3.7
69.45313	9.5
70.06545	1.3
71.01366	1.0
71.04986	11.4
73.02920	1.4
77.03918	1.4
79.05484	7.3
81.03423	1.4
81.07056	8.9
83.04977	5.8
83.08613	2.8
85.02889	3.3
85.06527	1.4
87.04436	3.0
89.03905	2.7
91.05473	62.2
93.07027	6.8
95.04967	10.0
95.08611	9.2
96.38783	1.0
97.02895	1.8
97.06532	4.5
99.04442	20.8
103.05467	3.8
105.03386	4.9
105.07018	9.9
107.04941	4.8
107.08578	14.5
107.98660	1.2
108.08122	1.2
109.06522	9.9
109.10161	5.6
111.04455	1.7
111.08088	1.7
113.09645	1.4
115.07526	1.7
118.04153	7.8
119.04935	63.3
119.08584	10.0
120.05304	1.1
121.02882	2.4
121.06501	3.6
121.10134	15.0
122.06017	1.2
123.04449	5.6
123.08068	11.2
123.11733	4.7
125.05981	2.9
125.09601	2.4
129.03380	2.2
132.02075	4.2
133.02840	2.2
133.10126	4.1
134.06017	2.1
135.04387	2.9
135.08051	1.9
135.11728	2.2
136.05168	2.8
137.05965	2.0
137.09637	5.2
137.13318	2.1
138.06743	1.4
141.09116	1.2
143.08560	1.4
146.03578	1.4
147.04398	52.0
147.08058	1.8
147.11696	5.3
149.02318	7.5
149.06018	1.3
149.09599	14.8
151.07567	5.4
151.11163	2.4
153.05458	1.6
154.06305	1.9
155.07140	1.2
157.03975	4.5
161.09637	2.4
161.13246	4.8
162.05412	5.6
163.03912	2.4
163.11205	4.9
164.04736	6.8
164.07021	9.6
165.05505	1.7
165.09097	2.9
165.12758	4.2
167.07059	1.8
167.10683	4.9
169.08607	3.8
174.03123	2.1
175.03889	88.6
176.04373	1.5
177.01820	3.3
179.05644	1.1
179.06937	6.0
179.10553	1.7
179.14241	2.5
180.04144	1.6
180.06570	1.5
181.08635	1.4
183.06519	3.0
183.13837	5.9
189.12688	7.6
190.04990	1.8
192.04156	28.0
193.04947	3.3
197.08165	2.8
207.06465	100.0
207.13838	9.8
208.05910	12.2
225.04123	1.7
225.07384	4.1
225.09343	2.4
225.14842	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	223.1327
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.3
55.01862	2.9
55.05514	4.7
57.07051	1.1
58.51501	0.7
59.04990	1.9
65.03925	3.5
67.05503	6.2
69.03425	19.1
69.07064	2.2
71.04639	2.7
79.05489	4.8
81.03388	1.4
81.07047	11.0
83.04967	8.6
83.08598	1.2
85.02901	2.7
87.04462	27.5
91.05473	15.3
93.07036	15.4
94.41604	0.8
95.04958	6.3
95.08599	4.1
97.06525	1.4
101.02377	2.7
103.05411	1.3
105.07025	7.6
107.04951	3.0
107.08584	6.6
108.09365	1.0
109.06506	53.4
109.10159	9.4
110.07301	1.7
111.04460	2.0
111.08078	1.4
117.07010	3.2
119.06051	3.0
119.08547	6.7
121.06495	52.1
121.10139	6.9
122.07301	8.8
123.08058	2.1
123.11716	0.9
125.05969	2.1
125.09655	1.0
131.08603	1.6
133.10152	2.0
135.08047	3.7
135.11687	3.1
137.09604	100.0
138.09917	1.7
139.03885	2.6
139.07536	2.4
139.11160	0.8
144.09267	1.3
145.10115	3.2
147.08046	1.9
147.11713	1.0
149.05998	7.4
149.09613	6.6
157.10156	1.1
159.08080	1.2
159.11722	5.4
163.07542	2.7
163.11145	5.7
167.06989	0.9
175.11205	2.0
177.12717	5.7
181.12305	1.4
187.11194	3.4
205.12183	3.7
223.13268	12.5
224.13814	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.2054
Annotation	(3R,6E)-Nerolidol
Peak:m/z	Relative Intensity
53.03941	3.4
55.05510	17.3
57.03432	36.5
57.06836	1.2
57.07068	9.9
57.48594	1.5
59.05000	2.2
59.15598	1.3
65.03957	1.4
67.05502	47.5
69.07066	17.6
71.04997	7.2
71.08617	6.4
74.92967	1.4
79.05488	17.3
81.07050	87.4
83.04970	4.2
83.08610	11.4
85.06525	3.5
85.10183	18.9
91.05486	4.0
93.07022	15.7
95.04957	5.3
95.08599	39.2
97.06507	3.1
97.10164	8.4
99.08075	2.9
105.07022	2.1
107.08585	9.3
109.10121	7.7
113.09636	17.4
117.03754	1.6
117.06989	1.6
121.10126	13.1
123.08035	1.8
123.11691	15.8
125.02404	1.5
128.48759	1.4
135.08017	3.1
135.11725	7.7
137.06012	1.8
139.03868	3.1
141.12729	100.0
141.74512	1.4
149.02350	9.0
149.13225	1.9
155.14230	1.7
163.03824	2.9
163.07553	5.2
163.11105	2.1
167.03386	1.3
171.29633	1.8
181.08591	12.4
190.02701	1.6
205.19482	3.1
223.05948	12.3
223.11247	3.0
223.13254	4.0
223.16928	5.7
223.20543	41.3
225.04283	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	225.0089
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05029	0.5
56.96561	1.0
68.05039	0.3
69.03412	0.4
70.76955	0.8
71.04988	0.3
74.89334	0.3
82.99879	0.8
84.96027	1.1
88.27487	0.3
98.97593	0.8
101.00867	8.4
102.97002	0.5
107.08543	0.6
116.98647	1.0
118.03503	0.5
119.01909	57.0
120.01978	1.6
125.02324	0.9
131.01898	0.4
133.03458	0.6
134.99875	3.4
135.32266	0.4
136.04561	0.3
137.02943	25.5
138.03073	1.0
140.98824	1.3
142.03508	4.3
153.00912	3.6
158.99861	3.9
159.06149	0.4
160.04533	2.4
161.02988	0.7
173.02809	0.4
175.03059	0.9
177.00938	100.0
178.01022	8.5
179.00940	1.4
179.04004	2.2
182.99834	1.5
183.01343	0.4
183.06197	0.6
184.02016	0.4
184.04533	0.6
193.04024	1.8
195.01987	2.4
199.02965	0.7
200.02527	2.4
201.00835	4.7
201.02466	2.9
202.00888	0.5
202.02574	0.9
202.05623	1.1
203.04027	0.5
206.04385	0.5
211.56038	0.4
217.01999	0.7
217.04080	11.1
217.55199	0.4
218.03708	0.7
219.01976	91.8
220.02057	12.8
221.01828	1.5
224.02484	0.5
225.00661	3.4
225.04257	0.7
225.14781	0.4
234.00710	0.8
237.03177	0.5
242.03557	3.4
243.01886	12.4
244.02142	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.1327
Annotation	(+/-)-6-Hydroxy-3-oxo-alpha-ionone
Peak:m/z	Relative Intensity
53.03941	1.3
55.01862	2.9
55.05514	4.7
57.07051	1.1
58.51501	0.7
59.04990	1.9
65.03925	3.5
67.05503	6.2
69.03425	19.1
69.07064	2.2
71.04639	2.7
79.05489	4.8
81.03388	1.4
81.07047	11.0
83.04967	8.6
83.08598	1.2
85.02901	2.7
87.04462	27.5
91.05473	15.3
93.07036	15.4
94.41604	0.8
95.04958	6.3
95.08599	4.1
97.06525	1.4
101.02377	2.7
103.05411	1.3
105.07025	7.6
107.04951	3.0
107.08584	6.6
108.09365	1.0
109.06506	53.4
109.10159	9.4
110.07301	1.7
111.04460	2.0
111.08078	1.4
117.07010	3.2
119.06051	3.0
119.08547	6.7
121.06495	52.1
121.10139	6.9
122.07301	8.8
123.08058	2.1
123.11716	0.9
125.05969	2.1
125.09655	1.0
131.08603	1.6
133.10152	2.0
135.08047	3.7
135.11687	3.1
137.09604	100.0
138.09917	1.7
139.03885	2.6
139.07536	2.4
139.11160	0.8
144.09267	1.3
145.10115	3.2
147.08046	1.9
147.11713	1.0
149.05998	7.4
149.09613	6.6
157.10156	1.1
159.08080	1.2
159.11722	5.4
163.07542	2.7
163.11145	5.7
167.06989	0.9
175.11205	2.0
177.12717	5.7
181.12305	1.4
187.11194	3.4
205.12183	3.7
223.13268	12.5
224.13814	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.1327
Annotation	Aristelegone D
Peak:m/z	Relative Intensity
51.66055	1.9
53.03931	8.0
55.01863	6.8
55.05510	11.8
56.40289	2.4
57.03431	3.4
57.07066	5.0
59.04997	12.3
64.80625	2.2
67.05498	18.7
69.03418	27.6
69.07050	8.7
70.58298	5.6
71.04972	2.9
76.44119	2.4
77.03835	2.0
79.05482	17.6
81.03397	2.8
81.07040	13.8
83.04974	31.6
83.08614	3.0
84.08148	4.5
85.02892	2.3
85.06516	4.0
86.09712	4.9
89.35057	2.3
91.05476	55.0
93.07037	97.3
95.04955	26.5
95.08612	12.5
97.06509	5.7
98.82496	2.7
101.05981	4.1
103.05451	7.3
105.03415	2.4
105.04517	2.6
105.07020	32.0
107.04933	9.0
107.08582	38.8
108.08909	2.2
109.06483	17.1
109.10158	8.8
111.04385	2.4
111.08073	9.7
112.57729	2.7
113.06007	7.0
115.05475	2.8
117.07007	15.7
119.08582	19.4
121.06494	100.0
121.10123	34.3
123.08053	5.5
123.11691	4.8
125.09596	5.7
127.07529	9.5
128.06200	2.6
129.06972	8.4
130.07729	3.7
131.04906	5.0
131.06834	4.2
131.08528	14.8
133.06529	13.9
133.10139	13.8
135.04395	2.5
135.08041	14.3
135.11681	8.8
137.09590	8.8
139.03836	2.4
139.07512	16.0
139.11104	3.2
139.12865	2.3
142.07762	5.3
143.08569	3.9
144.09297	5.8
145.06503	2.7
145.10098	17.7
147.08047	12.3
147.11659	5.6
149.02373	4.5
149.05928	7.1
149.09608	57.2
149.13235	3.8
153.09097	17.3
157.10146	10.7
159.08084	3.0
159.11681	36.3
161.05994	11.4
161.09628	14.7
162.03146	2.6
163.03833	3.9
163.07501	3.3
163.11180	16.6
165.09093	4.3
169.10147	2.9
172.08736	5.4
175.11174	22.5
177.05461	4.0
177.07396	7.2
177.09013	2.7
177.12712	23.2
179.10677	15.9
187.11177	27.2
193.12262	4.9
195.13834	3.2
205.05040	5.0
205.12198	45.9
223.05885	9.6
223.07735	4.1
223.11162	4.6
223.13254	68.1
223.16824	3.7
223.20656	2.7
225.04247	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	223.1327
Annotation	Aristelegone D
Peak:m/z	Relative Intensity
53.03933	7.2
55.01868	5.7
55.05508	7.8
57.07103	4.6
59.04995	11.3
67.05498	18.1
69.03423	25.3
69.07059	7.8
71.19186	4.7
77.03929	3.1
79.05490	16.3
79.92298	2.0
81.03403	3.5
81.07047	14.9
83.04981	28.0
83.08622	2.5
84.61962	1.9
85.06544	2.1
91.05466	42.2
93.07037	96.9
95.04956	24.6
95.08595	13.7
97.06520	8.3
98.04781	2.1
103.05453	5.1
105.03322	2.3
105.07034	27.9
107.04942	4.2
107.08578	31.7
109.06503	18.1
109.10162	9.0
111.08066	6.4
113.06007	4.7
113.34373	2.0
115.05512	2.4
117.07028	12.5
119.04916	3.2
119.08581	18.4
120.08118	2.5
121.06500	100.0
121.10139	36.7
123.04440	2.0
123.08064	7.4
123.11707	2.3
125.09612	6.3
127.07540	6.5
129.05435	2.8
129.06989	6.9
130.07780	4.2
131.06909	4.4
131.08582	13.9
133.06558	3.1
133.10120	17.6
135.08046	10.5
135.11658	9.7
137.09612	5.2
139.07536	14.9
139.11130	3.2
142.07813	3.1
143.08565	2.6
144.09344	4.0
145.06468	5.0
145.10109	14.7
147.08044	7.7
147.11664	5.2
149.02393	2.5
149.06001	5.0
149.09602	55.1
149.13274	3.3
151.07603	2.3
153.09116	21.8
157.10091	10.0
159.07985	4.9
159.11684	31.3
161.09642	15.2
163.07579	3.6
163.11189	18.3
165.09157	2.7
172.08853	8.1
175.11185	17.9
177.07338	2.3
177.12708	19.1
179.10652	15.0
187.11162	22.5
193.12221	7.5
205.12216	39.6
223.06062	9.2
223.13255	55.3
225.04346	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	223.1326
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	0.4
55.01865	1.4
55.05505	4.1
57.03449	0.3
57.07059	0.5
65.03935	1.0
65.35153	0.2
67.05498	6.0
69.03416	0.4
69.07060	3.5
70.57034	0.3
71.05003	1.2
79.05485	4.6
81.03408	3.1
81.07046	8.6
83.04968	1.8
83.08604	1.6
85.02898	2.7
85.06516	0.4
87.08125	0.2
91.05466	4.5
93.07038	4.1
95.04957	100.0
95.08595	4.8
96.05271	1.2
97.06496	0.9
98.83472	0.2
99.04430	0.3
99.08095	0.4
103.05471	0.3
103.17155	0.2
105.04546	0.2
105.07021	2.9
107.04950	1.1
107.08582	2.1
109.06514	3.0
111.04434	0.5
115.05520	0.2
117.06996	2.3
119.04909	0.2
119.08574	3.7
121.06496	2.8
121.10120	1.9
123.04441	0.3
123.08038	2.8
125.05975	0.3
128.06154	0.4
129.07014	0.7
130.07776	0.3
130.94484	0.2
131.08553	0.9
133.10135	0.6
135.08055	1.6
135.11685	2.6
139.07616	0.3
141.06995	0.6
141.09076	0.2
143.08563	0.7
145.06517	0.4
145.10115	5.0
147.08032	3.8
149.02325	1.2
149.09573	0.4
159.08005	0.3
159.11674	1.6
161.09659	1.1
163.11162	14.2
164.11546	0.3
165.09114	0.3
169.10118	0.9
177.09085	0.2
177.12755	1.1
179.70538	0.2
187.11139	1.7
205.12206	1.9
208.03613	0.4
223.05957	1.4
223.09511	0.3
223.11249	0.5
223.13245	3.6
223.16910	0.9
225.04291	1.0
227.02284	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.1327
Annotation	Heteroplexisolide E
Peak:m/z	Relative Intensity
53.03934	1.0
55.01865	1.5
55.05506	7.6
57.03422	1.7
57.07055	2.1
65.03926	1.7
67.05502	10.1
67.85970	0.5
69.03416	0.8
69.07062	9.2
71.04982	1.8
71.08632	1.4
71.52828	0.7
73.05583	0.5
79.05491	6.1
81.03399	2.9
81.07049	13.0
83.04992	2.8
83.08614	4.5
85.02906	3.1
85.06527	0.7
91.05470	5.0
93.07048	6.2
95.04960	100.0
95.08601	8.5
96.05300	1.0
97.06532	3.4
97.10148	1.0
99.08076	1.6
105.07043	3.5
107.04971	1.5
107.08595	5.3
109.06500	4.1
109.10136	3.8
111.08052	1.5
111.11700	0.8
113.09661	0.7
117.07008	2.3
119.08562	3.5
121.06498	2.8
121.10136	6.2
123.08060	2.3
123.11668	1.7
125.09687	0.6
127.11180	3.2
129.07016	0.7
131.08582	1.3
133.10101	0.9
135.08044	1.9
135.11687	6.0
143.08556	1.3
145.10121	4.3
147.08058	3.4
149.02367	4.2
149.09624	1.0
149.13275	1.6
159.11691	2.1
161.09567	1.0
163.11162	12.4
177.12811	1.8
187.11165	1.3
205.04979	0.9
205.12248	2.3
205.19499	2.5
208.03687	0.7
223.05925	3.9
223.13124	5.1
223.15146	1.1
223.16672	2.9
223.20468	3.2
225.04283	1.8
235.34764	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.1075
Annotation	Phe-gly
Peak:m/z	Relative Intensity
53.03930	0.8
55.05503	1.0
56.96558	1.8
57.03421	0.6
57.07074	1.0
65.03927	0.7
67.05500	1.4
69.03432	1.0
69.07059	1.2
70.06577	1.6
70.86552	0.7
70.86921	1.0
71.04987	0.6
79.05474	1.5
81.03403	1.3
81.07040	1.1
83.04980	1.5
84.08131	1.7
85.02910	1.6
86.09695	0.7
88.91942	0.5
90.02371	0.5
91.05484	1.8
93.07042	3.7
95.04958	1.6
95.08582	1.4
97.02895	0.6
97.06551	0.8
98.97585	0.8
103.05462	5.6
105.03397	0.7
105.07009	1.8
107.04935	1.6
107.08596	1.5
109.02859	0.8
109.06505	0.8
109.10095	0.8
110.07125	0.6
111.08065	1.0
115.05484	0.5
116.98596	0.9
119.08577	1.2
120.08097	100.0
121.06469	1.3
121.08468	1.0
121.10141	1.6
123.08032	1.3
125.06003	0.6
129.10222	0.8
131.04959	0.7
131.08577	0.8
133.06474	1.5
133.10101	1.0
134.99684	0.7
135.04428	0.9
135.08093	0.8
137.05946	0.5
139.07533	1.5
141.63019	0.6
145.10081	0.6
149.02321	4.5
149.05965	0.5
149.09619	0.6
159.08000	0.5
159.11604	0.6
161.05933	1.3
162.03065	0.6
163.03882	1.5
163.07472	0.8
163.11188	0.9
165.62193	0.5
166.08615	0.6
167.07080	1.2
177.00664	1.0
177.05472	1.1
177.12846	0.8
178.08681	0.6
187.11221	0.6
190.02611	1.1
193.01569	0.8
195.06480	0.6
205.04901	1.0
205.12306	1.6
207.03134	0.7
208.03697	0.9
209.01080	0.7
223.05983	7.0
223.11047	2.0
223.13353	1.5
223.16895	3.3
225.04279	14.0
227.02197	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	222.0758
Annotation	Hyrtioerectine C
Peak:m/z	Relative Intensity
70.06578	0.5
70.64793	1.0
77.03967	0.4
79.05482	0.7
84.08158	0.4
91.05487	0.6
93.07014	0.6
95.04948	0.5
98.97536	0.4
103.05473	0.8
104.04973	0.5
105.07034	0.4
106.06548	0.3
107.08614	0.3
109.06487	0.5
110.06049	0.3
117.07008	0.5
118.06506	1.1
120.08092	12.2
121.06484	0.4
130.06512	100.0
131.06862	1.7
132.04436	18.2
137.09590	0.6
144.05551	0.4
146.06038	0.8
148.07556	28.7
149.07977	0.6
155.51634	0.3
158.05998	29.8
159.06410	0.7
176.07050	82.6
177.07355	1.7
204.06540	2.3
222.05690	0.4
222.07625	4.8
222.11099	1.9
223.06000	1.1
223.13225	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1898
Annotation	beta-Chamigrene-10-ol
Peak:m/z	Relative Intensity
53.36688	4.3
55.05498	20.7
55.47216	4.1
57.07064	14.4
60.13971	4.0
61.07626	4.1
63.73296	4.2
64.42083	4.4
67.05502	38.8
69.03397	4.7
69.07054	30.0
69.86610	4.5
71.04978	17.2
71.52586	4.5
71.53016	7.0
79.05482	26.2
81.07046	85.7
83.04970	6.6
83.08606	18.9
85.06540	6.1
91.05452	24.2
93.07037	39.5
95.04955	5.8
95.08596	98.1
97.06517	8.7
97.10157	18.3
97.49840	4.3
105.07013	52.6
107.08589	44.1
109.10146	57.8
111.08044	9.7
111.11729	6.6
119.04946	7.0
119.08569	45.0
121.06516	6.2
121.10137	55.9
123.08083	8.6
123.11678	46.4
133.10118	39.9
135.11670	18.4
137.05923	8.0
137.09608	10.9
137.13240	33.9
142.56520	4.8
145.10156	6.6
147.04355	6.9
147.07974	8.6
147.11644	44.0
149.05992	4.4
149.13266	7.5
151.11111	11.3
153.12711	10.0
161.09569	5.8
161.13232	19.7
163.14778	14.4
165.12823	4.8
175.11307	6.8
175.14748	10.0
177.16353	36.9
193.19536	15.6
203.10628	7.2
203.17926	47.1
206.16182	14.5
221.04439	12.4
221.07982	15.1
221.11681	11.3
221.15442	8.0
221.19005	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	222.076
Annotation	Unknow
Peak:m/z	Relative Intensity
50.18657	0.5
51.17095	0.5
54.88223	0.4
55.05506	0.8
56.05015	0.7
56.96550	0.9
58.03333	0.5
58.06582	0.7
59.44098	0.5
64.11382	0.5
67.05492	1.0
69.03421	1.2
69.07024	0.7
70.06575	1.0
71.52031	0.5
71.52451	0.7
72.08158	0.5
79.05487	0.7
81.04566	0.5
81.07059	0.7
83.04961	0.6
83.08650	0.5
84.08120	0.7
85.02882	0.8
86.09688	1.3
89.37588	0.5
91.05494	0.8
95.04962	0.8
95.06053	0.5
97.02887	0.6
97.06507	0.5
97.07633	0.5
98.97569	1.7
103.05452	2.5
105.03370	1.1
105.07047	1.3
106.06536	0.8
107.04926	0.8
107.08573	1.2
109.06522	0.5
109.07660	0.9
109.47796	0.5
116.98569	0.9
118.06505	1.1
119.01863	0.6
119.08539	1.2
120.08089	11.3
121.06517	1.3
121.10047	0.7
122.07087	0.6
130.06519	100.0
131.04910	3.0
131.06880	2.7
132.04443	16.4
132.05424	1.0
133.06487	0.8
134.05957	0.6
134.99657	1.1
135.08115	0.6
136.08525	0.6
137.05960	0.7
145.06538	0.5
146.05928	0.8
148.07558	30.0
149.02307	0.5
149.05933	0.6
149.09541	0.6
158.06003	32.5
159.06279	0.7
163.03885	0.6
163.07533	2.0
167.07040	0.5
176.07059	85.2
177.05545	0.6
177.07375	1.7
178.08698	0.7
189.06648	0.6
190.02638	0.9
191.16968	0.5
194.05528	0.6
204.06551	0.8
205.04906	0.6
205.08662	0.6
205.10591	0.7
207.13658	0.8
222.07614	5.8
222.11221	4.2
222.15253	0.6
223.06030	2.4
223.13403	1.4
225.04279	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1898
Annotation	Helianthol A
Peak:m/z	Relative Intensity
51.94697	1.2
53.03943	3.0
54.48498	1.1
55.05507	12.7
56.96527	1.2
57.07052	4.9
59.04990	2.2
65.03977	1.6
67.05499	14.1
69.07063	13.1
69.31631	3.9
69.32059	7.8
71.04987	24.7
79.05480	17.9
81.03399	1.2
81.07049	70.8
82.07375	1.9
82.20305	1.2
83.04964	3.1
83.08610	7.8
85.06521	3.3
91.05447	11.6
93.07035	44.4
95.04959	3.8
95.08597	34.5
97.02843	1.4
97.06519	4.1
97.10155	4.1
99.08073	4.3
105.06311	2.0
105.07021	36.3
107.08586	62.8
108.21561	1.1
109.06499	4.1
109.10155	24.8
111.08073	3.8
113.09659	3.0
115.05445	1.4
117.06961	1.4
119.07709	2.4
119.08569	49.1
121.10140	15.5
123.08058	2.6
123.11701	17.3
125.09607	1.6
127.11194	6.2
133.06483	3.8
133.10120	25.1
135.08047	2.0
135.11678	100.0
136.12019	2.2
137.06059	1.3
137.09593	5.1
137.13245	3.5
145.10136	3.3
147.11671	26.0
149.13245	9.2
151.03833	1.9
151.11201	4.1
160.12509	1.3
161.06009	6.3
161.09554	2.4
161.13234	15.3
163.14838	5.2
165.12741	2.0
175.07492	1.3
175.14818	5.5
177.16411	2.8
179.10593	1.3
184.71005	1.2
189.05440	1.5
191.71962	1.2
193.08571	3.7
193.15889	1.4
203.14377	3.1
203.17940	38.0
203.19763	2.2
206.16252	2.4
209.51340	1.1
221.04536	2.2
221.08057	3.6
221.11691	2.2
221.15384	6.0
221.19008	53.5
222.19287	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	221.1898
Annotation	Helianthol A
Peak:m/z	Relative Intensity
53.00299	1.1
53.03935	1.6
55.05509	11.4
57.03416	1.3
57.07071	3.1
65.03919	2.1
67.05502	12.0
68.82770	1.0
69.07067	12.3
69.17754	6.0
69.18182	7.8
70.71592	1.1
71.04984	24.6
71.29417	1.1
79.05482	18.9
81.07048	75.0
82.07413	1.3
83.04977	2.9
83.08607	4.1
85.06539	2.5
89.90701	1.2
91.05472	13.6
91.73995	1.1
93.07037	43.2
95.04954	2.7
95.08602	26.9
97.06510	3.2
97.10141	1.8
99.08076	3.6
103.05489	1.4
105.07018	35.1
107.04964	2.3
107.08579	58.0
109.06502	3.5
109.10136	21.5
111.08059	3.5
111.11774	1.2
113.09678	2.0
115.05475	1.3
117.06999	1.7
119.08571	43.7
121.06572	1.3
121.10135	14.0
123.08047	3.2
123.11694	14.7
127.11202	4.0
131.08585	1.7
133.06467	1.9
133.10109	28.2
135.11674	100.0
137.06003	2.2
137.09598	4.0
137.13272	2.6
139.11206	1.3
145.10143	3.1
147.08080	1.4
147.11656	22.2
149.13264	8.8
151.11148	3.7
159.11713	1.8
160.12404	1.3
161.05959	3.1
161.09641	2.9
161.13251	14.1
163.14838	4.9
165.12698	1.8
175.11282	1.5
175.14818	4.7
177.16492	1.8
193.08580	3.4
193.15950	1.2
203.17934	36.4
221.04517	1.6
221.08069	2.7
221.11749	2.7
221.15399	4.0
221.19002	48.7
222.19246	1.9
241.88182	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1898
Annotation	Helianthol A
Peak:m/z	Relative Intensity
55.01865	3.2
55.05504	15.5
56.96548	4.0
57.07055	7.1
59.04991	3.2
64.67242	2.1
67.05502	26.3
69.07064	21.2
70.08147	11.3
71.04976	6.2
79.05489	13.5
81.07050	59.7
83.04975	4.0
83.08607	12.0
85.06528	3.9
91.05463	21.8
93.07040	38.5
95.04969	4.7
95.07977	3.5
95.08599	73.0
97.06501	7.3
97.10135	3.8
105.07026	62.4
106.58818	2.1
107.04941	4.9
107.08595	47.7
109.02813	2.9
109.06502	5.8
109.10155	53.8
111.08096	11.2
117.06949	2.4
118.97594	2.1
119.08574	95.2
121.06467	5.5
121.10146	31.6
123.08051	5.9
123.11718	19.2
129.54379	2.2
131.08490	3.9
133.06483	6.0
133.10118	47.8
135.08049	2.4
135.11705	15.2
137.05954	4.3
137.09590	6.5
137.13240	5.1
139.11169	5.3
145.10091	3.9
147.04405	3.3
147.08017	3.5
147.11678	62.1
149.02368	2.3
149.13235	7.7
151.07486	2.7
151.11174	5.8
157.96432	2.3
161.05957	7.4
161.09607	5.3
161.13260	26.6
163.07483	2.4
163.11240	3.1
163.14851	18.8
165.05467	2.4
165.09082	5.5
165.12732	7.0
175.07596	3.7
175.11090	5.0
175.14809	30.7
177.16298	3.5
179.07025	1.9
179.10751	2.6
193.08528	3.0
203.10706	4.7
203.17947	100.0
206.05779	2.7
206.16196	5.7
219.02698	2.3
221.04443	8.0
221.08089	10.7
221.11655	9.3
221.15623	13.1
221.19012	58.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1897
Annotation	Helianthol A
Peak:m/z	Relative Intensity
50.17765	2.1
53.03939	3.3
55.01861	3.5
55.05504	22.8
56.96545	6.0
57.03409	3.5
57.07077	13.7
57.07305	2.3
58.91520	1.9
59.04984	3.1
62.14868	2.1
63.64718	1.9
65.03926	3.7
67.05495	46.9
69.03410	3.5
69.07065	41.6
69.42876	17.8
71.04977	7.4
71.08633	3.4
79.05486	29.2
81.03429	3.0
81.07047	85.9
83.04958	5.7
83.08623	18.8
85.06528	9.3
91.05466	34.6
93.07033	49.0
93.07623	2.6
95.04951	8.9
95.08594	93.7
97.06518	6.2
97.10151	9.6
100.67721	1.9
103.05437	2.8
105.07022	73.7
106.07358	2.7
107.04947	2.4
107.08580	51.2
109.06501	10.2
109.10145	55.8
111.08064	12.1
111.11687	4.1
112.04904	1.8
112.74517	1.9
117.07005	4.6
119.04962	4.0
119.08566	64.1
121.06474	6.2
121.10136	41.9
123.04403	2.4
123.08044	6.5
123.11703	23.6
125.09635	5.7
131.08493	3.3
133.06528	3.7
133.10130	43.2
134.38747	2.0
135.08041	2.9
135.11685	22.5
137.05984	4.3
137.09637	5.1
137.13269	8.1
138.58739	2.2
145.10085	4.7
146.10515	2.2
147.04367	2.3
147.08067	3.5
147.11671	77.1
149.13245	9.6
151.07475	2.5
151.11198	6.0
159.11726	3.9
161.05963	3.8
161.09654	7.1
161.13242	31.0
163.14825	10.0
165.12761	13.6
175.02740	2.1
175.07520	5.3
175.11169	4.0
175.14778	12.1
177.16394	6.0
179.14357	7.1
185.13284	2.2
189.05553	2.2
193.08717	3.6
193.16013	2.9
203.07034	2.9
203.10707	3.7
203.17899	40.5
206.16223	4.0
221.04465	7.4
221.08086	8.2
221.11746	8.9
221.15373	10.7
221.19003	100.0
222.19392	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.117
Annotation	Aristelegone B
Peak:m/z	Relative Intensity
51.69548	0.8
53.03937	2.0
55.01154	0.9
55.01865	7.7
55.05503	6.8
56.48088	0.8
57.07063	1.9
59.04975	1.4
59.44015	1.0
62.70641	1.0
65.03909	1.0
67.05501	6.5
69.03419	10.6
69.07066	5.2
69.50420	2.0
69.50821	6.6
71.04962	1.8
79.05077	1.1
79.05486	13.8
81.03407	1.6
81.06597	1.0
81.07049	15.2
83.01315	2.2
83.04972	12.1
83.08600	1.2
85.02902	1.5
85.06534	1.3
91.05470	25.2
93.07034	20.2
94.07838	1.0
95.01318	1.6
95.04948	6.6
95.08598	9.8
97.02863	1.6
97.06514	1.7
103.05458	2.1
105.07018	44.8
107.04925	5.5
107.08582	22.5
108.09341	3.1
109.06512	7.7
109.10148	10.4
110.07249	0.9
111.00755	1.4
111.04420	2.3
111.08060	4.6
113.02277	1.0
115.05425	2.9
117.07001	6.2
119.04929	10.3
119.08572	31.1
121.06490	10.4
121.10131	8.0
122.07201	0.9
123.08056	67.1
123.11646	1.9
125.09592	1.5
128.06218	1.5
128.59200	1.3
129.07007	4.8
131.08548	7.2
132.05695	1.5
133.06473	14.9
133.10117	66.0
134.10448	1.9
135.04391	1.4
135.08075	5.1
135.11690	4.8
136.08795	4.3
137.05957	11.1
137.09596	10.7
138.10387	22.4
141.06969	1.3
142.07770	8.9
143.08501	3.3
144.09309	3.0
145.06462	7.8
145.10101	2.6
146.07251	3.6
147.04404	15.5
147.08028	6.2
147.11659	23.6
149.09581	2.9
151.07520	1.9
151.11134	1.7
157.10106	20.2
159.08002	2.5
159.11703	6.8
160.08830	13.0
161.05975	11.1
161.09599	62.2
161.13196	3.1
163.11150	3.5
165.05490	5.3
165.09084	1.3
173.05994	1.2
175.07500	2.7
175.11163	100.0
176.11496	1.6
177.12709	2.0
179.07024	1.0
179.10652	23.1
185.09653	2.6
188.08290	8.3
193.12210	3.2
193.15884	1.4
201.55852	1.0
203.10649	24.8
203.14188	1.4
206.16273	1.1
221.11702	46.6
221.15059	9.8
221.18680	1.3
235.82620	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1897
Annotation	Helianthol A
Peak:m/z	Relative Intensity
53.03930	1.4
55.01860	2.2
55.05503	7.8
56.96531	1.7
57.07051	3.4
59.04988	2.1
67.05499	13.8
68.89217	1.1
69.03442	1.3
69.07059	11.5
71.04987	17.4
71.52853	2.0
79.05486	13.4
81.07047	27.9
83.04983	1.3
83.08604	5.5
85.06512	2.6
88.46745	1.3
91.05461	9.9
93.07034	19.1
95.04928	2.4
95.08598	53.4
97.06461	1.3
97.10160	2.4
98.97587	1.6
105.07021	23.7
107.08583	52.5
109.06496	2.1
109.10143	26.7
111.08035	2.9
119.08562	22.4
120.79028	1.0
121.06493	2.7
121.10136	20.4
123.04406	2.1
123.08080	2.9
123.11674	5.6
125.09593	2.3
128.85196	1.1
131.08553	2.0
133.10121	22.9
135.08017	2.1
135.11671	7.4
137.05968	2.1
137.09602	2.4
137.13248	3.5
145.10104	2.3
147.11673	43.3
149.13176	1.5
151.11191	2.0
151.14761	1.4
161.09569	2.0
161.13229	13.2
163.14801	18.6
165.05409	1.3
165.06750	1.1
165.12749	3.3
173.05626	1.1
175.07616	2.0
175.11163	1.7
175.14822	9.6
177.16344	5.8
179.10536	1.6
185.13220	1.5
193.04973	1.3
203.17929	100.0
204.18274	1.9
206.16226	3.2
221.04398	4.2
221.07921	3.6
221.11736	3.6
221.15311	2.4
221.19025	31.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.0919
Annotation	7-hydroxy-L-tryptophan
Peak:m/z	Relative Intensity
53.03946	0.7
55.01863	1.1
55.05507	1.6
56.05030	0.9
56.96559	9.8
57.03429	1.5
57.07066	0.6
60.95872	0.6
61.01120	0.7
61.02902	0.7
67.05490	1.5
68.09547	0.5
68.35851	0.5
69.03416	2.0
69.07071	1.0
69.87362	3.0
70.06580	1.8
72.08155	4.3
73.02915	2.4
74.02428	1.0
74.06077	0.9
79.05479	1.2
81.03411	1.5
81.07042	1.2
82.02927	2.0
82.06590	0.6
82.57671	0.5
83.05006	0.7
83.06130	0.5
83.08646	0.7
84.04524	0.8
84.08128	2.5
84.96025	0.7
85.02898	2.6
91.05489	1.7
94.06554	4.7
95.01369	0.5
95.04967	0.6
95.06086	0.5
95.08581	0.7
97.02882	2.6
98.97571	6.5
100.02466	1.3
101.00870	0.8
103.05479	1.2
105.07008	1.9
107.04966	1.2
107.08594	1.0
109.06508	0.8
109.10128	1.1
110.07172	1.6
110.97576	0.9
111.08079	1.4
115.02453	0.8
115.05466	1.2
116.98608	6.1
118.03479	1.0
119.01913	3.7
119.04987	0.9
119.08578	0.8
120.08092	1.0
121.01620	2.6
121.06506	1.8
121.10164	0.6
123.04425	0.7
127.00742	0.8
127.03922	1.2
128.98622	1.4
130.06514	68.2
131.00194	0.8
131.01872	1.7
131.06837	1.1
132.04436	41.6
133.01640	0.5
133.03329	1.2
133.04819	0.6
133.06467	1.0
133.10152	0.8
134.06004	1.4
134.99683	3.4
135.03198	0.8
135.08018	0.9
135.11708	0.5
136.07588	0.8
137.02972	1.2
137.05959	1.2
137.09602	1.0
139.02678	1.1
143.00143	0.6
143.01819	0.6
145.03447	0.6
146.99664	1.9
147.03200	0.8
147.04282	0.7
147.09172	1.1
148.07552	3.3
149.02989	0.5
150.05768	1.1
150.99052	0.6
151.07541	0.7
153.00761	0.9
153.08984	0.6
155.01768	0.8
156.97449	0.8
157.03418	1.2
157.06520	0.5
157.07593	24.9
158.05997	81.2
159.05063	0.5
159.06383	1.6
161.02985	1.0
162.05556	1.4
173.02954	1.8
174.98579	1.0
175.02742	2.1
175.04539	1.5
175.08652	100.0
176.07030	1.7
176.08989	2.1
177.00757	0.7
179.02213	0.9
185.02963	0.5
185.07137	0.7
186.05469	2.8
189.00630	0.7
191.03912	0.6
193.00201	0.7
193.15857	0.6
196.99449	0.9
197.01236	1.0
198.00592	0.8
198.02512	0.7
198.04276	0.7
203.02306	0.8
203.04037	0.8
203.08167	3.3
203.09908	0.5
204.06548	4.6
206.16170	0.9
215.02328	0.7
217.00098	2.1
219.01871	0.7
221.01436	0.6
221.03113	0.7
221.04872	2.1
221.09219	14.4
221.11526	1.0
221.15251	1.1
221.18340	0.5
235.01242	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.0919
Annotation	7-hydroxy-L-tryptophan
Peak:m/z	Relative Intensity
55.05503	0.8
56.96560	4.3
57.07055	1.0
59.78756	0.5
60.73892	0.7
63.35304	0.5
64.38085	0.7
67.05486	0.9
69.03419	0.9
70.14162	3.4
72.08141	1.4
74.06062	0.9
76.72552	0.7
81.07030	1.8
82.02941	2.3
83.27463	0.8
85.02906	1.3
91.05448	1.5
93.07041	1.2
94.06563	4.8
95.08585	1.1
97.02864	1.5
98.97572	2.2
105.07062	0.9
107.04919	0.8
107.08562	1.1
109.10146	0.8
110.97465	0.8
111.08072	1.3
115.05434	0.9
116.98598	2.6
119.08502	0.7
120.08088	0.9
121.06467	1.4
128.98592	1.0
130.06512	70.2
131.04948	0.7
131.06877	1.0
132.04434	42.2
133.10051	1.0
134.99577	0.8
135.08119	0.9
137.06018	1.5
137.09621	0.7
148.07552	3.2
155.04582	0.8
157.07596	36.6
158.05997	76.7
159.06310	1.8
175.08652	100.0
176.07056	2.3
176.08957	1.2
177.00737	0.8
185.07079	0.9
186.05504	2.1
203.08138	12.3
204.06535	5.4
206.16188	1.0
217.00125	1.0
221.09222	20.5
221.11385	1.1
221.15367	1.5
232.39751	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.0919
Annotation	7-hydroxy-L-tryptophan
Peak:m/z	Relative Intensity
55.01865	2.4
55.05502	4.3
56.96556	3.4
57.07067	3.5
67.05492	6.6
69.03426	2.6
69.07064	5.1
69.99323	4.3
70.06575	1.2
72.08135	1.8
74.06070	1.4
74.22963	1.3
79.05484	3.1
81.07055	7.6
82.02949	1.5
83.04970	1.7
83.08597	4.2
85.02895	1.8
91.05431	9.1
93.07028	3.8
94.06560	4.3
95.04944	2.2
95.08610	5.7
97.02894	2.7
98.20885	1.7
98.97576	2.9
103.05474	2.2
105.03370	1.9
105.07030	9.1
105.44157	1.2
106.06548	1.2
107.04937	3.6
107.08569	6.3
109.02857	1.2
109.06500	4.5
109.07627	1.4
109.10115	6.1
111.08080	8.9
115.05436	1.9
116.98603	3.1
119.04929	4.8
119.08571	8.3
120.08114	2.3
121.06496	8.6
121.10156	2.8
123.08095	2.1
123.11678	2.0
129.07005	2.5
130.06511	53.9
132.04436	38.7
133.06497	4.7
133.10112	6.6
134.06013	8.6
134.10825	2.1
135.04443	1.4
135.08023	3.8
135.11659	1.6
136.07564	7.6
137.05980	3.2
137.09593	4.7
138.06761	1.2
145.10178	1.5
146.06058	2.8
147.04396	3.0
147.06464	1.3
147.08025	2.9
147.09149	1.4
147.11700	2.6
148.07570	3.8
151.07535	2.7
151.11177	1.9
153.09105	4.1
157.06374	2.1
157.07593	19.1
158.06003	69.4
160.07571	2.0
161.05925	3.5
161.13232	2.1
162.05495	12.6
165.05589	1.7
165.09117	3.8
175.08658	100.0
175.14810	5.5
176.07043	4.8
176.09111	1.3
176.46413	1.6
177.05510	2.1
179.10678	2.7
186.05524	3.5
193.05008	2.2
193.15936	4.8
203.03409	2.5
203.06935	2.7
203.10628	2.2
203.14282	1.6
204.06552	16.5
205.14973	1.4
206.16228	4.7
213.07887	1.5
221.04428	4.7
221.07567	1.2
221.09344	21.1
221.11751	4.1
221.15373	8.5
221.17897	5.9
222.08153	3.3
241.02963	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	220.1178
Annotation	Sodium pantothenate
Peak:m/z	Relative Intensity
55.01866	1.1
55.05508	0.8
57.07071	7.4
59.04993	4.7
62.20033	0.6
67.05499	7.3
69.07065	5.3
70.02946	7.1
71.15158	1.9
72.04107	0.9
72.04512	15.3
73.02924	4.0
74.02425	1.3
81.07069	0.7
83.04974	1.1
85.06538	9.8
86.09693	1.6
87.08076	2.1
90.05547	100.0
95.04954	7.6
96.08109	2.8
98.02407	13.6
98.97573	0.7
100.03951	2.2
103.07558	8.3
105.03411	1.0
112.73721	0.7
113.05981	3.4
116.03439	15.8
116.98653	0.7
124.07584	18.3
135.02795	0.6
142.08601	8.1
156.10210	1.1
160.09671	1.7
166.08597	2.9
174.11215	2.4
181.37773	0.9
183.45850	0.7
184.09673	21.2
190.81116	0.7
202.08813	1.3
202.10730	28.4
204.14613	2.3
205.15889	6.7
206.95079	0.7
220.11798	30.1
220.17761	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	219.1014
Annotation	Unknow
Peak:m/z	Relative Intensity
51.58167	1.1
55.05497	3.5
60.02539	0.9
67.05488	4.9
69.07049	2.7
71.04995	5.1
71.05325	1.0
79.05474	4.3
81.06593	1.2
81.07038	11.3
83.04958	1.6
91.05479	12.4
93.07016	8.5
95.04925	2.3
95.08602	9.7
97.06535	1.9
98.97596	1.1
103.05447	3.1
105.07010	15.1
107.08561	7.1
109.06483	2.8
109.10135	3.5
111.08055	1.2
115.05454	8.1
116.06214	3.4
117.07003	6.6
119.08549	13.9
120.08067	1.6
121.06483	2.4
121.10133	9.5
123.08042	3.2
123.11603	1.5
125.09580	1.7
128.06177	7.7
129.06996	26.9
130.07816	2.4
131.04912	6.8
131.08548	28.6
133.06482	2.3
133.10121	19.3
135.08025	1.7
135.11674	3.3
137.05960	2.7
137.09628	1.7
141.05853	1.2
141.06966	22.1
142.07706	1.1
143.08549	3.6
144.05692	6.2
145.06500	5.6
145.10095	10.3
146.07236	4.1
146.10883	1.4
147.08017	1.9
147.11685	5.0
149.09618	1.3
149.13231	1.6
157.06471	11.7
157.10068	1.5
158.07269	12.6
159.04352	2.1
159.08026	20.5
159.11658	11.1
160.05157	4.0
160.12450	1.4
161.05913	1.0
161.09546	5.0
161.13200	6.1
163.07538	1.8
163.11128	1.6
169.06479	7.9
170.07213	3.7
171.80310	1.0
173.06004	4.8
173.09578	2.3
173.13245	4.5
174.05234	2.3
174.06746	43.5
175.07483	8.5
175.14845	2.7
177.05363	1.3
186.06721	10.7
187.07539	4.9
187.11116	1.7
188.08298	3.1
188.11890	1.9
189.09084	52.5
190.09436	1.9
191.06874	1.6
191.10728	4.8
201.05313	2.4
201.09070	22.7
201.12732	3.0
201.16331	10.6
203.14284	29.2
205.15825	1.6
219.06503	2.9
219.10127	51.5
219.13809	4.6
219.17404	100.0
220.17802	1.5
229.16899	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.1014
Annotation	1,2,4-Trimethoxynaphthalene
Peak:m/z	Relative Intensity
51.58167	1.1
55.05497	3.5
60.02539	0.9
67.05488	4.9
69.07049	2.7
71.04995	5.1
71.05325	1.0
79.05474	4.3
81.06593	1.2
81.07038	11.3
83.04958	1.6
91.05479	12.4
93.07016	8.5
95.04925	2.3
95.08602	9.7
97.06535	1.9
98.97596	1.1
103.05447	3.1
105.07010	15.1
107.08561	7.1
109.06483	2.8
109.10135	3.5
111.08055	1.2
115.05454	8.1
116.06214	3.4
117.07003	6.6
119.08549	13.9
120.08067	1.6
121.06483	2.4
121.10133	9.5
123.08042	3.2
123.11603	1.5
125.09580	1.7
128.06177	7.7
129.06996	26.9
130.07816	2.4
131.04912	6.8
131.08548	28.6
133.06482	2.3
133.10121	19.3
135.08025	1.7
135.11674	3.3
137.05960	2.7
137.09628	1.7
141.05853	1.2
141.06966	22.1
142.07706	1.1
143.08549	3.6
144.05692	6.2
145.06500	5.6
145.10095	10.3
146.07236	4.1
146.10883	1.4
147.08017	1.9
147.11685	5.0
149.09618	1.3
149.13231	1.6
157.06471	11.7
157.10068	1.5
158.07269	12.6
159.04352	2.1
159.08026	20.5
159.11658	11.1
160.05157	4.0
160.12450	1.4
161.05913	1.0
161.09546	5.0
161.13200	6.1
163.07538	1.8
163.11128	1.6
169.06479	7.9
170.07213	3.7
171.80310	1.0
173.06004	4.8
173.09578	2.3
173.13245	4.5
174.05234	2.3
174.06746	43.5
175.07483	8.5
175.14845	2.7
177.05363	1.3
186.06721	10.7
187.07539	4.9
187.11116	1.7
188.08298	3.1
188.11890	1.9
189.09084	52.5
190.09436	1.9
191.06874	1.6
191.10728	4.8
201.05313	2.4
201.09070	22.7
201.12732	3.0
201.16331	10.6
203.14284	29.2
205.15825	1.6
219.06503	2.9
219.10127	51.5
219.13809	4.6
219.17404	100.0
220.17802	1.5
229.16899	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	217.1221
Annotation	4,9-dimethyldodeca-2,4,6,8,10-pentaenedial
Peak:m/z	Relative Intensity
51.67052	0.9
53.03929	3.6
55.01854	3.8
55.05505	22.4
59.04990	2.4
65.03935	2.1
67.05500	9.0
68.57071	0.8
69.03417	6.3
69.07062	2.5
69.21364	8.0
69.21773	1.8
71.01321	1.0
71.04952	1.2
73.02902	1.5
78.04620	0.9
79.05487	28.6
81.03410	1.7
81.07049	58.8
83.04971	34.3
83.05465	1.8
83.08605	2.0
85.06536	2.2
87.04435	2.4
89.02382	2.8
89.06040	4.4
89.06505	1.0
91.05467	17.9
93.07033	16.1
95.04960	9.0
95.08569	3.1
97.06503	5.4
99.04445	3.9
101.06017	9.9
103.05436	2.3
105.07019	19.6
107.04950	5.8
107.08590	4.6
109.06506	35.4
111.04431	42.5
112.54307	1.0
113.06003	4.4
113.69676	1.0
115.05405	1.7
117.06995	3.3
119.04914	1.7
119.08578	10.5
121.06493	100.0
122.06785	1.2
123.04375	1.1
123.08054	4.3
127.07548	24.9
128.06204	5.9
129.05475	9.2
129.06992	10.2
130.07715	1.4
131.08546	5.2
133.06459	4.1
133.10139	6.5
135.04410	7.7
135.08061	6.2
137.05954	4.3
141.06940	3.6
142.07774	11.2
143.08559	16.4
145.06470	2.0
145.10071	7.0
146.07243	1.1
147.08025	5.5
147.11693	8.1
149.05989	1.3
155.07025	47.6
155.08427	3.4
156.05681	2.4
156.09331	6.7
157.06464	3.2
157.10127	19.8
158.07210	1.6
159.08008	3.1
159.11703	1.5
161.05977	2.8
161.09554	3.0
161.13245	3.7
165.06966	3.3
166.07790	5.1
169.06398	1.0
170.07182	1.2
171.07997	2.3
171.10274	1.7
171.11673	23.7
171.13158	1.5
173.08113	27.9
173.09590	4.0
175.07530	1.0
175.11179	15.6
181.10112	7.2
184.08731	3.8
189.09119	2.5
189.12714	12.3
199.09622	2.8
199.11172	40.2
199.14868	1.7
209.33807	1.0
217.05025	2.3
217.08566	2.7
217.10582	16.6
217.12231	50.3
217.15811	6.3
217.19374	2.2
218.12578	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	217.0194
Annotation	Unknow
Peak:m/z	Relative Intensity
51.48919	0.4
58.99860	0.9
61.28944	0.4
66.77139	0.4
70.77273	1.0
82.99805	2.3
83.04964	0.8
85.01403	2.6
86.04160	0.5
87.05217	0.4
101.00876	24.9
102.00962	0.5
103.02443	12.3
111.04449	1.4
112.04234	0.4
113.00857	2.2
119.01913	100.0
120.02022	1.8
121.03480	7.4
127.02367	3.6
129.00337	1.0
131.01901	11.3
137.02948	28.5
138.03146	0.8
139.00850	0.6
142.03458	2.5
145.03456	78.8
146.03574	1.4
147.01379	7.5
149.02950	4.7
155.07013	1.5
163.04515	47.1
164.04654	0.7
165.02513	0.6
167.00473	0.7
168.05080	2.3
171.01369	4.5
171.99797	0.5
173.02968	4.2
174.01202	0.6
175.00876	1.5
176.99005	0.5
179.00406	0.5
179.98523	0.4
181.98242	1.8
186.06146	0.6
187.00127	0.9
188.98921	1.0
189.02454	28.7
189.40126	0.5
190.02612	0.5
190.98770	3.7
191.04019	4.5
191.48862	0.8
193.01985	3.0
197.99585	0.5
199.00873	2.0
199.51849	0.5
201.00011	0.6
207.03499	17.1
211.99246	3.1
212.04036	1.0
212.49374	1.2
217.01910	6.7
217.10750	0.5
218.63589	0.5
235.02940	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	217.1221
Annotation	4,9-dimethyldodeca-2,4,6,8,10-pentaenedial
Peak:m/z	Relative Intensity
50.97270	0.8
53.03951	2.0
55.01855	5.3
55.05507	23.7
59.04993	1.9
65.03931	2.9
67.01628	1.0
67.05497	9.6
69.03415	6.2
69.07051	3.0
70.06569	1.5
71.04959	1.5
73.02923	1.0
77.03897	1.2
79.05488	28.3
81.03398	1.0
81.07050	58.9
83.04974	36.1
83.08616	2.6
85.02900	1.2
85.06518	2.4
86.09698	1.3
87.04460	5.0
89.02390	3.2
89.06035	5.4
91.04967	1.7
91.05473	15.4
93.07032	17.8
95.04948	8.8
95.08597	4.1
97.06510	6.3
99.04437	4.0
101.06013	13.1
103.05467	1.4
105.04539	1.6
105.07024	22.8
105.07663	0.8
107.04939	7.6
107.08617	4.7
109.06512	37.3
109.07273	1.8
111.04434	41.7
111.08041	1.8
111.34700	0.9
113.06017	4.9
115.05437	3.1
117.07002	4.3
119.04917	2.2
119.08586	10.7
120.97078	0.9
121.06493	100.0
123.08052	5.8
127.07537	28.2
128.06229	11.9
129.05478	13.1
129.06976	9.5
130.06554	1.5
131.08534	5.9
133.06477	5.4
133.10176	5.3
135.04395	7.6
135.08043	5.7
137.05975	3.6
141.06999	2.1
142.07765	10.1
143.08549	16.8
144.05687	1.1
145.06474	2.5
145.10133	4.3
147.08051	6.4
147.11678	7.4
155.07018	57.3
155.08434	2.5
156.05701	8.6
156.09349	7.2
157.05176	2.6
157.06483	2.2
157.10121	23.5
158.06009	2.1
158.07246	1.1
159.08093	2.1
159.11665	2.2
161.05963	4.2
161.09567	1.7
161.13203	2.7
165.06982	2.9
166.07771	7.2
169.06487	1.4
171.08037	3.0
171.11653	24.2
173.08109	33.0
173.09604	3.4
175.11183	14.4
176.06970	1.7
181.10100	7.9
184.08792	5.6
189.09032	1.3
189.12735	13.5
199.09674	2.5
199.11171	37.8
199.14774	2.7
202.02582	2.1
202.06229	2.2
217.04962	3.5
217.08566	8.1
217.10606	19.0
217.12254	51.7
217.15849	4.9
217.19389	1.6
226.53094	0.9
229.45865	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	217.0194
Annotation	Unknow
Peak:m/z	Relative Intensity
51.48919	0.4
58.99860	0.9
61.28944	0.4
66.77139	0.4
70.77273	1.0
82.99805	2.3
83.04964	0.8
85.01403	2.6
86.04160	0.5
87.05217	0.4
101.00876	24.9
102.00962	0.5
103.02443	12.3
111.04449	1.4
112.04234	0.4
113.00857	2.2
119.01913	100.0
120.02022	1.8
121.03480	7.4
127.02367	3.6
129.00337	1.0
131.01901	11.3
137.02948	28.5
138.03146	0.8
139.00850	0.6
142.03458	2.5
145.03456	78.8
146.03574	1.4
147.01379	7.5
149.02950	4.7
155.07013	1.5
163.04515	47.1
164.04654	0.7
165.02513	0.6
167.00473	0.7
168.05080	2.3
171.01369	4.5
171.99797	0.5
173.02968	4.2
174.01202	0.6
175.00876	1.5
176.99005	0.5
179.00406	0.5
179.98523	0.4
181.98242	1.8
186.06146	0.6
187.00127	0.9
188.98921	1.0
189.02454	28.7
189.40126	0.5
190.02612	0.5
190.98770	3.7
191.04019	4.5
191.48862	0.8
193.01985	3.0
197.99585	0.5
199.00873	2.0
199.51849	0.5
201.00011	0.6
207.03499	17.1
211.99246	3.1
212.04036	1.0
212.49374	1.2
217.01910	6.7
217.10750	0.5
218.63589	0.5
235.02940	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	214.0925
Annotation	Unknow
Peak:m/z	Relative Intensity
51.51749	0.7
52.05988	0.7
53.28904	0.6
55.05506	1.0
56.05029	1.7
56.96563	100.0
57.03433	1.3
58.06614	1.1
58.99838	0.7
61.02945	0.9
69.03432	2.2
69.07071	8.3
70.06596	4.0
71.51945	0.8
71.52299	0.9
71.95264	2.6
72.08146	3.9
72.96043	1.9
73.02919	2.0
73.06555	1.5
74.97611	1.3
81.03395	0.7
84.04517	1.1
84.08144	4.8
84.96033	6.0
85.02916	2.4
85.57402	0.6
86.09703	54.2
97.02895	1.7
97.06540	5.3
97.99163	1.7
98.97581	12.9
99.97921	0.8
100.02476	1.2
100.99141	19.1
100.99756	1.3
101.00876	10.4
102.97028	1.0
107.04999	0.8
110.01341	0.7
110.97563	7.9
112.07621	2.8
113.03499	1.0
116.00268	1.3
116.98619	12.4
118.03514	7.1
119.00186	14.3
119.01915	65.7
120.02055	2.2
126.97081	2.6
127.03904	0.8
128.98599	15.5
130.03508	0.9
130.93364	0.8
131.00168	0.7
131.01913	3.0
131.99695	1.1
133.03502	2.1
134.01321	1.1
134.99673	6.3
136.04546	3.4
137.01266	3.1
137.02950	31.1
138.03094	1.0
142.01826	0.9
142.03578	1.7
144.05103	1.9
144.98091	10.9
145.03523	1.2
146.99648	19.3
147.00781	1.0
149.02995	1.0
150.00754	1.1
150.96938	2.4
152.02397	1.0
153.00732	0.9
154.03378	0.8
155.05563	0.8
158.99605	1.5
160.04616	1.3
160.06448	3.1
161.01279	0.9
161.02914	1.6
162.09854	2.2
162.99127	17.1
163.02823	1.0
164.51974	0.7
165.00703	16.9
168.08809	1.4
170.01431	1.1
172.01520	1.0
172.04646	3.2
172.94284	1.5
172.97578	3.9
173.02557	1.2
173.06680	1.7
177.00830	1.1
178.07574	2.0
181.00266	2.7
183.01765	9.9
186.06198	1.0
186.09746	25.0
188.02371	1.2
190.03894	1.3
190.05670	1.7
190.07404	0.9
190.95493	3.6
190.98607	15.7
191.02306	1.7
191.03958	2.2
191.07619	1.8
196.00844	0.9
197.06651	2.8
204.10796	16.8
204.12570	0.9
208.14015	0.8
208.96581	2.1
208.99681	30.0
209.11479	0.9
214.00302	1.0
214.05711	1.2
214.07457	3.1
214.09360	13.3
214.11058	1.0
215.07602	3.9
227.00771	4.7
232.01408	1.0
232.04889	1.1
232.08446	1.5
232.10320	36.3
232.96606	3.0
233.08835	2.2
233.10808	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	214.0023
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	0.6
55.05495	1.0
55.20041	0.4
56.05026	1.0
56.96561	100.0
56.98845	0.4
57.03429	0.8
67.05508	0.7
69.03425	1.5
69.07069	0.7
69.87855	1.3
69.88273	0.8
70.06583	2.7
70.98118	0.4
71.95267	1.2
72.08157	1.0
72.93790	1.1
72.96039	1.2
73.02921	0.9
73.06558	0.7
74.06081	1.0
74.97595	3.5
77.00916	0.5
79.05499	0.7
81.03416	0.7
81.07027	0.5
83.06133	0.4
84.04506	1.2
84.08139	2.4
84.96029	6.1
85.02888	2.0
86.09686	2.7
87.04478	0.6
88.99159	0.4
90.94809	0.6
91.05469	0.9
92.98665	1.0
94.06552	0.4
95.01353	0.4
95.04987	1.5
97.02907	1.7
97.99174	2.0
98.20825	0.6
98.97575	6.3
99.04499	0.5
100.02496	0.7
100.99134	15.2
101.00905	0.7
102.02231	1.3
102.97051	1.0
103.02451	0.6
105.00335	0.4
105.02202	1.9
105.07055	1.0
107.04972	1.8
109.02927	0.7
110.07168	1.5
110.97561	5.3
112.07594	3.2
112.42794	0.4
115.02443	0.5
116.00249	1.5
116.98619	5.8
118.03510	1.9
119.00177	20.4
119.01905	5.5
119.03709	0.7
119.04995	0.6
120.02046	0.7
120.03283	1.1
121.01714	1.1
121.03479	0.5
121.06525	0.5
122.03076	0.7
122.06062	0.4
123.02380	0.4
123.03246	1.4
123.04498	0.5
126.97073	1.4
127.03882	0.5
128.98602	12.0
129.10225	0.5
130.03531	0.6
130.08626	0.5
130.93343	0.5
131.00159	0.6
131.01927	1.3
131.97481	0.8
131.99719	1.1
132.05081	0.9
132.95844	1.1
133.03476	0.6
133.06483	2.1
134.01291	1.5
134.02992	0.8
134.04817	0.4
134.99628	5.2
135.00500	0.5
136.04550	2.1
136.07564	0.4
137.01195	4.7
137.02940	2.5
137.04745	0.5
138.03168	0.5
141.00053	0.9
142.01823	1.1
143.01947	0.6
144.98079	8.7
145.01694	0.7
145.03474	1.4
146.99635	22.3
147.03320	0.7
148.00085	0.5
148.02824	0.6
148.97585	0.8
149.01143	2.8
150.00793	1.5
150.06201	0.5
150.09161	0.5
150.96855	4.1
153.00749	1.1
154.03511	0.4
154.04918	0.5
155.04646	0.9
155.08092	0.5
155.54836	1.3
156.97571	0.5
157.04552	0.6
158.01317	0.7
158.02661	0.6
158.99713	1.3
160.04530	0.5
160.06354	2.1
161.01247	1.1
161.02979	1.5
162.99130	22.4
163.02760	1.2
165.00708	20.8
165.04303	1.1
167.02266	1.3
167.07014	1.1
167.97226	0.6
168.06578	0.4
170.01279	0.9
172.02733	2.0
172.04378	0.4
172.94244	0.5
172.97507	3.1
173.02618	1.2
173.98558	0.5
175.04126	0.6
175.05705	0.6
176.00833	0.5
176.04276	0.7
177.00734	1.5
178.07359	2.2
179.02338	0.6
179.07074	0.6
181.00174	4.5
183.01750	10.6
186.00845	1.2
186.04413	1.0
186.06087	0.8
186.09744	0.5
188.02367	1.2
190.03929	0.7
190.07472	1.9
190.95419	2.2
190.98611	17.2
191.02206	0.8
191.03734	1.0
191.97169	0.7
196.06912	1.2
197.10493	0.7
208.96803	2.3
208.99675	29.8
214.00298	1.4
214.05696	0.7
214.07417	2.9
214.10762	0.7
223.01260	0.6
227.00702	5.1
232.01424	1.5
232.08568	2.2
232.10628	0.6
232.96547	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	214.0021
Annotation	Unknow
Peak:m/z	Relative Intensity
52.90197	0.5
55.01867	0.8
56.96560	100.0
57.03434	1.7
61.02927	2.9
62.10764	0.5
69.03419	1.9
69.33329	4.9
70.06583	0.7
71.95266	1.3
72.08170	0.6
72.96051	1.3
73.02905	4.2
74.09649	0.4
74.97601	2.7
79.05512	0.5
81.03395	0.6
84.08157	0.6
84.96026	7.0
85.02893	4.7
86.99373	0.5
90.52457	0.5
92.98678	0.7
97.02879	2.3
97.99219	0.9
98.21543	0.9
98.97602	2.8
99.04453	0.9
100.99141	22.7
101.00886	2.4
102.97016	0.9
105.02206	0.5
107.34828	0.4
110.97562	10.3
112.07607	2.0
113.00874	0.6
115.02406	0.8
116.98626	1.0
119.00178	13.8
119.01044	1.0
119.01904	7.3
120.02048	1.1
121.01668	1.6
126.97010	2.6
127.03946	0.8
128.98599	19.9
130.96490	1.0
131.00116	0.6
131.01871	3.8
133.01653	0.7
133.03465	1.1
134.99606	1.0
137.01241	2.4
137.02965	1.3
143.01848	2.7
144.98065	12.7
145.01634	0.7
145.03503	1.6
146.99637	19.7
147.03140	0.6
149.01178	1.3
152.00262	0.7
155.01869	1.1
160.06334	2.7
161.02902	5.4
162.99136	18.6
163.00500	0.9
163.02696	1.2
163.04570	0.8
165.00706	17.7
165.04407	0.6
170.01343	0.6
170.03389	0.7
172.97562	5.5
173.02925	2.7
175.02742	0.7
177.00749	1.0
178.07480	1.5
181.00201	3.0
183.01755	9.3
185.03052	0.8
186.00798	0.9
188.02357	0.8
189.00710	0.6
190.07516	1.2
190.98613	19.0
191.04031	1.0
203.04219	0.5
208.99675	30.2
214.00264	0.6
214.07452	2.9
227.00711	4.4
232.01378	0.8
232.08704	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1483
Annotation	3,7-Dimethyl-2,5-octadiene-1,7-diol
Peak:m/z	Relative Intensity
53.03934	1.4
55.01867	0.7
55.05505	18.4
57.03442	2.3
57.07071	9.6
63.55973	0.4
65.03907	0.4
67.05490	4.0
69.03416	1.3
69.07060	6.1
71.04984	0.5
71.08599	0.4
71.52692	0.5
79.05054	0.7
79.05482	5.6
81.07046	6.7
83.04968	10.6
83.08606	0.7
85.06526	5.4
88.07643	0.6
91.05475	3.7
93.07031	14.6
95.04957	2.4
95.08597	12.5
97.06519	6.9
97.10178	0.6
105.07019	5.2
107.04953	1.4
107.08578	18.7
109.06507	5.4
109.10131	2.8
111.04429	100.0
111.08057	4.6
112.04758	1.1
113.05978	1.9
117.06999	1.9
119.08582	1.9
120.09293	0.7
121.06464	3.0
121.10122	3.6
122.07290	1.3
123.08054	1.6
125.05979	31.6
127.07552	3.3
128.06218	0.5
129.06964	0.5
130.07788	1.6
131.08603	0.5
135.07002	0.6
135.08044	16.9
135.11678	22.2
136.08450	0.5
137.05969	0.8
137.09619	0.7
137.13220	1.4
139.07520	4.7
143.08589	1.2
145.10103	18.1
151.03922	0.9
152.04646	0.6
152.08296	0.4
153.12720	5.7
157.10121	0.8
163.11165	22.3
167.07042	0.8
167.14284	0.5
171.08043	0.5
171.11617	0.8
181.12213	41.9
182.12566	1.0
195.06511	12.5
195.13794	4.9
196.06909	0.4
198.05376	0.5
213.12849	0.8
213.14845	1.6
213.16412	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.112
Annotation	Melazolide A
Peak:m/z	Relative Intensity
53.03934	5.3
55.01858	4.5
55.05499	4.8
56.96559	8.4
57.03420	2.4
57.07073	1.6
58.48265	1.1
59.78030	1.2
60.00986	1.2
65.03934	3.3
67.05491	4.8
69.03414	2.4
69.07063	3.4
70.06075	4.6
70.06573	4.3
70.73464	1.3
71.04979	3.0
72.08156	1.8
73.02902	2.6
78.32910	1.4
79.05486	18.8
81.03416	4.0
81.07052	9.0
83.04958	3.6
84.08131	1.4
85.02895	3.6
85.07645	1.8
88.07623	2.1
91.05473	38.0
93.07033	31.2
95.04970	9.7
95.08614	3.9
97.02874	3.6
97.06509	5.6
98.97551	3.5
99.04455	4.2
103.05465	3.3
105.07021	47.1
107.04926	9.1
107.08585	69.4
109.02850	2.4
109.06501	5.8
110.97542	2.0
111.04436	2.4
111.05504	1.5
115.05453	2.2
116.06259	3.0
116.98615	3.9
117.07005	4.1
119.04936	2.8
119.08572	100.0
120.08919	1.9
121.02823	1.7
121.06492	3.0
121.09321	2.5
121.10131	29.3
121.10934	2.3
123.04408	4.3
123.08094	3.0
123.11729	1.7
124.05164	1.9
125.02372	2.3
125.05978	4.4
125.09610	3.6
127.03895	2.3
128.98566	1.7
129.06993	4.2
131.08556	38.3
133.06485	7.8
133.10129	4.6
134.19083	1.3
134.99625	3.6
135.04401	5.1
135.08032	9.1
137.02267	1.6
137.05974	3.8
139.03818	1.7
139.07526	1.7
140.04692	4.8
140.06993	1.6
141.05455	2.2
142.07732	1.2
146.99654	6.0
147.04407	1.5
147.08029	41.1
148.97325	3.2
149.05975	2.1
149.09604	36.9
151.03925	6.4
151.07603	1.3
151.11169	3.2
152.04723	3.8
153.05492	7.5
153.09073	2.9
155.07002	4.1
156.07661	1.3
157.10135	2.6
159.08075	10.7
161.02931	1.9
163.03882	4.2
165.00642	2.9
165.09102	37.1
167.07039	6.0
167.10686	10.0
175.03876	2.9
177.09085	33.0
181.04959	2.4
185.00291	1.4
185.07147	2.1
195.06529	61.5
195.10147	29.0
195.11870	2.0
196.07016	1.7
198.05229	5.8
207.06470	3.1
208.01286	3.7
213.05463	3.0
213.09351	2.2
213.11142	22.9
213.12778	2.2
222.71399	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	212.0767
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.4
54.21513	0.7
55.01865	0.9
55.05512	0.8
56.05030	0.8
56.96560	20.2
57.03433	3.5
61.02923	1.6
63.82868	0.6
67.05484	0.9
68.05021	0.8
69.03423	13.0
69.07061	1.4
70.06597	1.8
71.04987	2.0
71.17036	1.4
71.17374	0.6
71.42741	0.7
73.02908	7.0
79.05505	1.3
80.05013	2.0
81.03410	1.9
81.07048	0.7
82.06577	0.7
84.08138	7.0
84.18238	0.7
84.96030	1.6
85.02901	6.7
86.06087	0.7
87.04439	0.9
91.05479	2.6
92.01296	0.8
94.06604	0.9
95.04948	0.9
97.02889	6.9
98.01284	1.6
98.06038	6.7
98.97583	12.0
101.00844	1.6
104.01257	0.9
107.04935	1.4
109.02891	1.1
110.01260	1.7
110.97530	3.2
111.00243	1.6
112.07597	88.3
113.07947	1.2
114.98489	0.7
116.98592	9.7
117.08420	0.7
118.03548	1.0
119.01858	6.0
119.04929	1.4
120.08016	0.7
121.02836	0.7
122.04539	0.8
125.05944	0.8
127.03912	2.2
128.01419	0.8
128.02333	2.5
128.98587	6.3
130.08669	1.2
131.01842	2.0
131.99698	0.8
133.06593	0.7
134.02972	0.8
134.99640	6.6
136.07597	1.0
137.02986	1.6
137.05968	2.2
140.00201	0.9
140.02222	0.9
140.05582	2.3
143.00121	1.0
144.05083	1.2
144.98065	1.2
146.02257	1.0
146.99644	7.0
147.04393	2.6
149.01186	0.7
151.03870	1.2
152.02246	1.0
153.00742	1.2
153.03127	0.8
155.02795	2.5
155.04654	1.8
158.06619	63.2
158.99623	3.1
159.06754	1.9
161.01213	3.0
161.02899	2.3
162.06085	2.0
162.99138	2.3
165.00650	1.0
167.07008	0.9
170.03339	2.4
170.06590	10.7
170.99626	2.9
173.02863	2.0
174.00751	0.9
174.04407	1.2
176.07677	73.3
177.00710	3.5
177.07869	2.0
181.08186	1.9
182.03343	2.2
184.04570	0.9
185.05344	1.2
186.04529	1.3
186.06143	1.7
188.07671	52.3
188.97058	1.8
189.00594	6.5
189.07816	2.6
191.03894	1.8
191.54063	0.9
194.06599	2.9
194.08128	1.6
195.06497	3.5
199.09279	1.7
200.04422	1.1
200.07637	6.1
201.00676	1.2
204.05537	0.8
206.03108	0.8
206.08684	1.3
206.98161	2.2
207.01758	1.9
211.09145	1.8
212.07658	100.0
213.07793	3.4
218.08795	1.7
219.01706	2.9
230.08722	80.9
231.08951	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1692
Annotation	3E,5E-tridecadienoic acid
Peak:m/z	Relative Intensity
53.03936	3.7
55.01858	5.4
55.05509	19.2
56.96565	3.1
57.03428	7.2
57.07061	6.2
59.04985	5.7
60.40035	1.6
65.03914	3.4
65.64538	1.9
66.99543	1.5
67.05505	20.5
67.99376	1.9
69.03425	25.5
69.06726	2.7
69.07069	31.3
69.19832	19.1
70.06599	2.3
71.04989	39.0
71.75578	1.5
73.06567	3.3
77.03923	1.7
77.19768	1.4
79.05482	17.4
80.05006	2.3
81.03421	3.1
81.07052	48.0
83.04970	5.0
83.08624	11.8
84.08145	2.5
85.02900	2.7
85.06551	7.4
86.09680	1.5
91.05470	18.4
93.07032	22.3
95.04957	13.0
95.08606	39.7
95.09181	3.2
97.02870	3.3
97.06541	13.6
97.10162	4.8
98.97578	1.7
99.04454	7.3
99.08102	6.0
101.06001	2.1
103.05489	3.6
105.03406	5.8
105.07021	26.4
106.04192	1.8
107.08595	22.1
109.02847	2.3
109.06507	11.2
109.10146	31.1
110.03625	1.6
111.04498	2.4
111.08086	7.2
113.05997	1.8
113.09658	3.9
115.05434	1.8
115.07558	12.8
116.98648	1.6
118.04159	1.8
119.01866	3.0
119.04933	4.9
119.06022	1.7
119.08578	28.2
121.06514	6.5
121.10139	67.9
123.04425	24.8
123.08092	10.3
123.11695	100.0
124.12003	2.8
125.09628	49.4
127.07554	5.0
131.08604	2.4
133.06516	3.3
133.10121	21.1
135.04408	1.7
135.08063	2.9
135.11690	36.2
137.05956	6.0
137.09601	9.8
137.13257	4.5
139.11148	4.4
141.05470	2.0
141.09131	5.4
141.12695	2.5
147.04407	4.6
147.08026	2.5
147.11670	7.6
149.06013	4.9
149.13269	6.9
150.06735	5.1
151.03925	3.2
151.07536	24.8
151.11154	4.9
151.14844	2.3
152.08025	1.6
153.05507	2.5
153.06985	3.2
153.12756	5.1
155.08543	3.8
155.10628	2.6
157.10088	1.9
165.05530	2.4
165.06897	2.3
165.09111	8.0
165.12762	3.3
167.07033	27.8
168.05690	2.7
168.07582	5.8
168.09317	1.6
169.10110	4.5
175.07469	2.0
175.11113	1.8
175.14824	30.1
179.07034	38.9
181.08586	4.1
181.10008	2.1
183.06514	3.6
183.11700	3.1
193.04906	2.8
193.08606	8.3
193.10136	2.6
193.12187	1.8
193.15892	11.4
200.04446	2.8
205.98813	2.3
211.05927	3.6
211.07574	5.9
211.09610	5.3
211.11362	3.1
211.13165	4.7
211.14978	3.5
211.16882	23.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.169
Annotation	3E,5E-tridecadienoic acid
Peak:m/z	Relative Intensity
53.03927	2.5
55.01851	4.4
55.05502	15.3
56.05824	1.4
56.96544	2.1
57.03436	11.7
57.07068	7.9
59.04981	5.4
64.87508	1.3
65.03927	1.8
67.05495	22.3
69.03415	24.5
69.07059	31.6
70.06584	3.6
71.04603	2.8
71.04980	41.3
71.52373	2.3
73.06552	3.0
79.05489	13.9
80.04980	1.5
81.03412	3.7
81.07045	48.3
82.07389	1.7
83.04973	9.2
83.08605	12.5
85.02883	2.0
85.06540	9.8
91.05470	17.9
93.06490	1.9
93.07036	28.4
95.04960	12.5
95.08598	47.5
97.02862	3.9
97.06506	11.4
97.10181	3.7
98.97527	1.7
99.04443	8.7
99.08073	6.1
101.05964	1.7
103.05448	4.2
105.03370	9.5
105.07015	23.6
106.04185	1.3
107.04979	2.8
107.08574	26.4
109.06467	6.8
109.10139	31.6
111.04479	1.3
111.08065	7.5
113.05982	2.1
113.09640	7.9
115.07551	11.8
116.98612	1.5
119.01839	1.8
119.04891	3.4
119.08572	28.8
121.06475	4.3
121.10130	75.8
123.04427	17.5
123.08060	10.0
123.11689	100.0
124.05181	1.9
124.11983	2.7
125.05977	2.0
125.09610	43.9
127.07539	5.6
127.11234	1.5
129.09073	1.4
131.08571	2.8
133.02792	1.5
133.06494	5.1
133.10101	26.8
135.04375	1.7
135.11674	38.7
137.05933	4.8
137.09615	11.0
137.13228	4.2
139.07516	2.1
139.11171	3.3
141.06958	1.5
141.09085	4.6
141.12691	2.5
145.10051	1.6
147.04367	3.0
147.11627	8.0
149.05927	5.1
149.13275	6.5
150.06758	3.4
151.03860	3.3
151.07529	14.3
151.11157	4.2
151.14766	2.3
152.04562	1.5
153.05457	2.7
153.07101	1.8
153.12718	5.1
155.08461	3.6
155.10625	2.0
157.10101	1.8
160.25032	1.3
162.06735	2.0
163.97734	1.5
165.05399	2.3
165.09103	9.6
165.12724	3.3
167.07027	26.6
168.05717	1.6
168.07500	4.7
168.09203	1.7
169.10088	2.9
169.12233	1.5
175.14810	27.6
178.07735	1.6
179.05492	2.2
179.07016	34.4
180.07535	1.8
181.04909	1.7
181.08569	3.3
181.10042	1.5
183.06439	3.2
183.11589	1.7
191.03813	1.6
193.04959	3.0
193.08560	9.9
193.10057	1.8
193.12209	3.0
193.15892	13.4
196.05013	1.6
196.08862	1.9
196.12393	1.9
200.04390	1.7
205.98872	1.5
211.05898	3.4
211.07512	6.0
211.09515	3.1
211.11293	5.0
211.13173	2.8
211.16925	28.4
211.79413	1.7
212.11674	1.4
212.16716	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1326
Annotation	Libanotic acid
Peak:m/z	Relative Intensity
53.03929	4.7
55.01864	6.5
55.05505	42.0
56.96563	17.9
57.03428	9.9
59.04986	1.2
67.05495	37.5
69.03426	11.2
69.07063	13.9
70.06555	1.9
70.95112	3.2
71.04981	6.9
73.00720	0.8
76.00658	1.1
79.05487	33.4
81.03408	100.0
81.07047	44.9
83.04970	54.3
83.08612	32.2
84.96049	1.0
85.02881	1.7
85.06512	3.5
91.05470	38.8
93.06477	1.9
93.07031	23.8
95.04960	37.3
95.05569	2.1
95.08604	19.9
97.02881	4.2
97.06535	6.7
97.10151	7.2
97.99162	1.9
99.04431	1.4
99.08061	2.4
105.04482	1.5
105.07021	26.7
107.04956	7.8
107.08572	10.7
109.06492	6.9
109.10152	7.5
111.04419	2.9
111.08070	12.8
115.05441	2.7
116.00186	2.8
117.06965	3.9
119.04993	1.4
119.08569	21.8
121.06493	2.7
121.10133	9.0
123.04345	1.7
123.08044	4.3
123.11707	1.9
125.09589	2.2
127.07536	1.3
128.06190	1.2
129.06972	10.9
131.08546	12.2
133.06471	3.8
133.10104	12.9
135.11711	1.0
136.06648	1.0
137.05978	2.1
137.09605	4.6
142.07736	3.3
145.10094	2.2
147.08003	3.8
147.11684	15.2
149.09583	9.3
149.40303	1.2
150.06773	1.7
151.07491	4.1
151.11122	1.3
153.05492	1.6
155.08525	4.0
157.10133	17.5
161.62080	1.3
162.06728	2.3
165.05437	1.5
165.09088	7.1
165.12741	4.6
167.07040	2.4
168.09319	1.2
169.10094	2.5
175.11148	15.2
175.14783	2.9
179.06969	2.5
181.10132	1.3
183.06552	1.6
183.11705	2.9
191.42551	1.1
193.08603	4.8
193.10410	2.2
193.12221	34.3
193.15849	2.0
205.98685	1.6
211.05946	3.1
211.07729	1.6
211.09497	1.7
211.11359	1.8
211.13243	13.5
211.14874	2.4
229.07439	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1327
Annotation	Libanotic acid
Peak:m/z	Relative Intensity
53.03931	6.6
55.01863	8.2
55.05271	3.3
55.05510	45.6
56.96564	33.0
57.03424	10.7
67.05505	31.6
69.03415	9.9
69.07063	14.8
70.06577	4.6
71.04971	9.8
71.52840	2.8
79.05490	39.2
80.04984	3.4
81.03413	100.0
81.07056	33.9
83.04977	42.7
83.08612	35.8
84.96001	5.5
86.09653	2.8
91.05474	36.5
93.07063	19.8
95.04958	31.5
95.08615	20.3
97.02887	4.5
97.06548	4.8
97.10146	7.4
97.99158	7.3
99.04426	3.4
105.07023	28.2
107.04939	10.2
107.08567	12.2
109.06493	9.1
109.10155	6.9
111.04448	4.8
111.08064	11.6
116.00220	7.5
119.04857	3.3
119.08584	25.9
119.94989	3.2
121.06526	3.2
121.10137	9.7
123.04391	4.5
123.08038	4.1
125.05961	4.7
129.06996	11.2
131.08557	11.8
133.06583	4.4
133.10124	16.6
135.11678	3.8
137.05951	6.5
137.09634	4.4
141.05391	3.8
141.06993	4.7
147.08051	7.1
147.11655	15.4
149.09599	9.0
151.07532	10.1
155.08456	5.9
157.10101	17.4
162.06833	3.3
163.97699	6.5
165.05615	3.3
165.09082	11.9
165.12820	3.6
167.07065	7.3
168.09285	4.4
169.10104	6.4
175.11185	20.0
179.07011	7.6
183.06514	8.7
193.04979	4.1
193.08563	8.0
193.10336	5.0
193.12202	38.0
205.98686	5.6
211.05913	8.2
211.11261	5.9
211.13223	13.4
211.14960	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	211.1326
Annotation	Ieodomycin B
Peak:m/z	Relative Intensity
53.03938	4.8
55.01864	10.8
55.05507	24.1
56.96567	2.0
57.03419	7.0
57.07052	4.5
59.04985	2.1
65.03936	3.0
67.05128	2.8
67.05492	36.6
67.96463	1.8
69.03420	11.5
69.07059	48.1
70.06590	2.0
71.04986	29.0
71.52277	1.5
71.52693	2.1
73.06570	2.8
79.05487	33.5
81.03386	3.6
81.07047	97.7
81.45280	1.4
83.04973	30.7
83.08604	6.6
85.02876	2.4
85.06535	19.8
87.04429	3.2
91.05473	39.7
93.07032	83.8
95.04955	54.1
95.08597	59.8
97.01588	1.5
97.02869	3.6
97.06519	66.3
98.97547	1.9
99.04442	21.0
99.08089	4.3
103.05463	3.6
105.03392	5.7
105.07020	100.0
106.65253	1.8
107.04960	3.2
107.08585	64.2
109.02812	2.2
109.06508	19.1
109.10139	13.4
111.04449	3.1
111.08065	46.1
113.05982	9.6
115.05422	2.1
115.07591	2.1
117.06978	2.9
119.04920	2.3
119.08568	37.7
120.08051	2.0
121.06500	13.1
121.10131	17.7
123.04429	4.2
123.08062	12.7
123.11688	42.4
124.12070	1.6
125.06004	3.0
125.09614	5.0
127.07539	4.7
129.07037	2.7
131.08537	7.9
133.06445	5.0
133.09116	3.7
133.10117	66.8
135.08022	22.2
135.11653	2.3
137.02280	1.6
137.05962	8.4
137.09598	4.0
137.13243	4.7
139.07494	3.0
141.05396	3.2
142.07776	7.1
145.10109	3.8
147.08018	5.5
147.11671	91.1
149.05911	2.5
149.09633	7.6
149.13222	3.7
150.06688	1.9
151.03792	2.1
151.07549	8.7
151.11154	39.0
152.11426	1.9
153.09126	2.9
155.08521	2.2
157.10109	12.6
160.08781	2.2
163.97632	1.8
165.09055	3.4
165.12732	44.7
167.07014	8.4
168.07722	2.1
169.10072	2.9
169.12221	47.9
170.03375	1.9
175.11177	39.9
179.06961	2.5
179.31543	1.5
181.08646	1.6
183.06485	3.6
183.11597	2.4
191.03900	5.4
193.08571	4.4
193.12228	39.3
200.04364	3.7
211.05870	2.0
211.11230	2.1
211.13188	27.1
211.14760	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	211.0962
Annotation	(+)-3-Hydroxy-5-(p-hydroxyphenyl)pentanoic acid
Peak:m/z	Relative Intensity
50.02908	1.6
51.02382	2.1
51.37881	1.6
53.03935	5.6
55.01863	12.6
55.05519	8.7
57.03437	4.6
61.74635	1.8
64.26128	1.8
65.03937	7.7
67.05511	9.3
69.03427	13.2
69.07065	3.5
70.06590	2.5
71.04999	2.8
71.13430	3.8
74.52158	1.7
77.03913	2.3
78.04704	2.9
79.05483	22.1
81.03420	5.1
81.07047	13.4
83.04977	7.9
83.08636	4.2
85.02905	4.3
85.06536	1.8
91.05474	100.0
93.07035	12.1
94.04160	2.3
95.04968	18.0
95.08601	8.5
97.02892	3.6
99.04462	1.9
103.05444	10.1
105.03377	17.4
105.07021	23.1
106.04200	2.6
107.04945	40.5
107.05634	2.9
107.08569	4.4
108.05721	5.5
109.02859	2.2
109.06505	27.1
109.07632	1.8
109.10163	7.8
111.04389	2.5
111.08073	2.8
113.06026	1.7
117.61905	1.6
118.04183	5.8
119.04934	99.4
119.08582	6.3
121.06497	34.1
121.10165	2.9
122.03654	2.7
123.04442	12.9
123.08047	16.0
124.05179	4.0
125.05945	4.5
125.09624	14.0
131.04858	2.9
133.02841	8.0
133.06476	14.2
133.10161	4.5
134.03664	16.4
135.04378	3.5
135.08043	3.4
135.11655	3.5
136.05220	4.2
137.05989	14.4
137.09607	4.7
137.71010	2.0
139.07550	2.6
140.04630	3.1
141.05440	3.6
141.71526	2.1
147.04382	19.9
147.08061	3.0
147.11739	2.7
149.05977	35.0
150.03123	6.3
150.06691	2.9
151.03914	5.5
151.06306	3.6
151.07529	64.3
151.11143	3.0
152.04758	2.4
152.07924	2.5
153.05428	20.7
155.08557	2.5
161.05988	7.9
162.06779	4.0
163.97809	2.5
165.05458	4.5
165.06898	2.2
165.09094	15.3
165.11201	2.0
166.06372	2.5
167.07025	50.2
167.08424	3.3
168.07840	14.1
168.09160	2.5
169.04930	3.5
175.11150	2.0
178.02600	6.3
179.07054	21.6
181.08656	9.4
181.09969	2.1
183.06529	6.0
193.04942	15.2
193.08611	9.8
193.16078	3.2
196.07280	5.2
196.12502	2.3
205.98685	1.9
211.05980	6.5
211.07799	2.3
211.09637	23.3
211.11475	3.8
211.14896	3.5
211.16862	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.06
Annotation	Macrophyllide
Peak:m/z	Relative Intensity
51.02373	0.9
53.03929	2.0
54.39662	0.6
55.01856	1.6
55.05500	1.8
56.96548	1.5
57.03416	1.5
57.07069	1.1
58.06590	0.7
61.33371	0.6
65.03926	1.0
66.04708	1.3
66.89927	0.6
67.05485	2.5
68.99782	0.9
69.03409	2.2
69.07032	0.8
70.05435	2.2
70.05868	1.4
70.06578	1.8
71.04966	1.4
77.03924	3.0
79.05489	3.6
81.03408	7.7
81.07059	3.4
83.04973	1.4
84.08115	1.2
85.02872	1.7
85.04024	1.0
89.03905	2.3
91.05473	9.4
93.07016	2.2
94.04172	2.1
95.04964	5.3
95.08588	1.7
97.02872	1.8
97.06530	0.8
97.07646	0.8
98.97540	0.8
99.08060	0.8
103.05457	4.1
105.03387	6.8
105.04486	0.8
105.07011	2.3
107.04940	3.6
107.08569	1.3
108.05685	0.6
109.02893	6.5
109.06473	1.9
109.10145	2.0
110.06033	0.8
110.25447	0.7
111.04392	1.1
113.10823	0.6
117.03403	0.9
119.04923	1.9
119.08536	1.5
120.08116	0.5
121.02839	0.9
121.06499	2.1
122.03655	3.0
123.04436	3.2
123.08043	1.0
123.11728	0.8
125.06012	1.5
125.09597	1.3
126.03093	1.7
127.03902	4.2
133.02844	51.6
133.10074	1.2
134.03275	1.2
135.04398	3.3
135.08025	0.7
136.05138	0.7
137.05975	7.3
137.09547	1.1
139.07538	1.1
140.04655	0.7
141.05507	3.4
141.10207	2.4
145.02788	0.7
145.03929	1.2
146.99512	0.8
147.04401	2.4
147.11681	1.1
149.05978	7.0
150.03105	41.9
150.06697	1.4
151.03882	2.3
151.07521	3.9
152.04660	4.0
153.01825	0.8
153.05440	1.7
154.02585	4.4
155.08490	1.2
161.02322	13.7
162.06764	1.1
163.97716	1.3
165.05457	6.1
165.09109	4.6
167.07037	8.7
168.07785	2.3
169.04955	28.7
175.03848	0.7
175.14964	0.8
177.05444	1.2
178.02597	53.1
179.03076	1.1
179.07024	3.9
181.08652	1.1
183.06528	1.1
183.11635	0.7
193.04950	100.0
193.08586	3.7
194.05295	1.3
196.07323	1.1
205.98799	2.7
211.06076	3.4
211.07697	1.5
211.09471	1.4
211.11409	1.3
232.03000	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.0599
Annotation	Macrophyllide
Peak:m/z	Relative Intensity
53.03926	2.2
55.01863	1.6
57.03401	0.8
57.42308	0.6
60.28099	0.7
65.03947	1.0
67.05482	1.5
69.03406	1.5
69.07043	1.3
70.67780	1.0
70.68116	1.4
73.35162	0.6
77.03899	2.2
79.05470	2.8
79.81863	0.7
81.03406	6.5
81.07045	1.8
84.08123	2.0
86.09692	1.5
89.03900	2.5
91.05472	6.8
93.07013	1.4
94.04174	1.7
95.04962	3.5
95.08575	2.0
97.02886	0.9
103.05461	3.2
105.03373	7.1
105.07011	1.4
106.04167	1.0
107.04933	3.1
109.02864	6.9
109.06497	1.0
119.04878	0.8
119.08572	0.9
119.75453	0.7
120.08088	1.8
121.06488	1.6
122.03654	3.7
123.04450	1.0
124.05233	1.2
125.09621	1.6
126.03091	2.3
127.03922	3.4
133.02840	53.2
134.03586	1.6
135.04387	1.9
137.02316	1.0
137.05962	4.8
137.09557	1.2
141.05463	4.2
145.02809	0.9
145.03920	1.5
147.04338	1.7
147.11728	0.9
149.05980	6.6
150.03108	41.5
151.03615	1.1
151.07507	2.9
152.04669	4.7
153.05348	0.8
154.02614	4.1
161.02339	14.1
165.05482	5.1
165.09099	1.5
166.06169	0.9
167.07025	9.3
168.07701	1.0
169.04930	32.0
178.02592	52.4
179.02962	1.0
179.06975	0.9
193.04939	100.0
194.05260	1.4
196.07352	1.2
211.05914	1.3
215.03542	0.6
234.48140	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	210.1123
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	0.3
55.01846	0.3
55.05492	0.5
65.03936	0.7
67.05498	0.3
69.03423	0.3
69.07059	0.3
69.82230	0.4
69.82643	1.0
79.05473	0.7
80.05827	0.3
81.07042	0.5
83.04967	0.6
84.05306	0.3
91.05469	27.0
92.05791	0.7
93.07021	0.5
95.04958	4.2
95.08586	0.5
96.05293	0.3
97.06448	0.2
103.05424	0.4
105.03390	0.2
105.07014	0.6
106.07373	0.2
108.05726	0.4
108.08176	0.2
108.08871	0.5
109.06512	0.5
109.10100	0.3
110.06848	0.3
111.09073	0.3
116.70988	0.2
119.04924	23.1
120.05262	0.6
121.06487	0.6
121.10215	0.2
122.10430	0.3
123.04463	0.2
123.08054	0.8
133.02837	0.6
133.06502	0.3
136.05180	3.2
136.07494	0.3
137.05963	2.7
149.02400	0.3
149.05975	0.5
150.10187	0.2
151.07521	100.0
152.07864	2.2
152.11514	0.4
154.06216	0.2
155.03397	0.2
164.04616	0.4
164.06990	0.5
164.10608	0.3
165.05440	0.3
165.09088	0.3
167.07018	2.1
168.10178	6.5
168.14673	0.6
169.04980	0.3
178.02548	0.2
179.06885	0.3
181.08505	0.4
182.09407	0.3
192.06708	0.2
192.10158	0.5
193.04959	0.8
193.08583	2.9
210.05086	0.2
210.07790	0.4
210.11234	3.0
210.15555	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	210.1124
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	0.4
55.01867	0.2
55.05503	0.9
56.96584	0.3
57.03421	0.4
57.07073	0.3
59.04982	0.4
60.59481	0.2
65.03941	0.8
67.05491	0.7
68.05837	0.3
69.03422	0.5
69.07049	0.8
70.07404	0.2
71.04989	0.6
71.52341	0.5
72.05348	0.2
76.00459	0.2
79.05480	0.9
81.07047	0.8
82.07400	0.4
83.04971	0.9
83.08600	0.3
84.05291	0.3
85.07478	0.2
91.05476	30.2
92.05793	1.1
93.07045	1.1
94.07372	0.8
95.04961	4.8
95.08591	0.7
96.05287	0.7
96.08941	0.5
97.02895	0.3
97.06496	0.3
98.06857	0.2
103.05519	0.3
105.07017	0.9
106.07361	0.5
107.04950	0.5
107.08571	1.0
108.05724	0.3
108.08230	0.3
108.08909	1.9
109.06497	0.6
109.10152	0.7
110.06815	0.3
110.10486	0.6
119.04935	23.5
120.05255	0.3
120.08099	0.3
120.08896	0.5
121.06494	0.6
121.10144	1.0
122.06846	0.4
122.10468	1.8
123.08027	0.8
123.11721	0.4
124.08393	0.3
131.08513	0.4
132.08894	0.8
133.10132	0.6
134.10448	0.3
135.08032	0.3
135.11745	0.3
136.05182	4.0
136.07497	0.4
136.08388	0.5
136.81354	0.3
137.05974	2.7
142.03519	0.2
146.10419	0.5
148.11952	1.2
149.13206	0.4
150.06360	0.5
150.09991	0.9
150.13603	1.3
151.07533	100.0
152.07921	1.9
152.11490	0.6
154.09435	0.4
164.15143	0.5
165.09125	0.4
167.07004	0.7
168.10193	6.6
174.13564	1.0
177.00705	0.2
178.06068	0.2
192.14644	5.7
193.08615	2.7
198.26549	0.2
205.98834	0.3
210.11244	2.7
210.15738	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	210.1125
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	0.5
55.01857	0.3
55.05514	1.3
56.05841	0.5
56.96550	0.5
57.03439	0.3
60.04512	0.5
65.03933	1.1
67.05493	0.6
69.03421	0.3
69.07051	0.4
70.06587	0.5
71.51614	0.2
72.93799	0.3
79.05488	0.8
81.03435	0.5
81.07030	0.3
83.04973	0.6
84.05314	0.4
85.02893	0.3
91.05476	31.1
91.11018	0.3
91.32552	0.2
92.05785	0.7
93.07057	0.7
93.96851	0.2
95.04967	5.8
95.08577	0.4
97.07603	0.3
100.07249	0.3
103.05437	0.4
105.04464	0.3
105.07023	0.6
107.04984	0.4
107.08556	0.3
108.05753	0.5
108.08921	0.4
109.06477	0.7
109.07611	0.4
110.06049	0.6
110.06782	0.4
119.04935	25.2
120.05293	0.4
120.08124	0.3
121.06506	0.3
122.06001	0.5
122.06821	0.3
122.10522	0.3
123.08077	0.9
133.02878	1.4
136.05199	3.8
136.07539	0.5
137.05962	2.8
139.97717	0.3
141.05444	0.4
148.62878	0.2
149.05901	0.3
149.97894	0.2
150.03098	1.0
150.05321	0.3
150.06418	0.4
150.09120	0.4
151.07535	100.0
152.07858	1.7
152.11589	0.3
161.02274	0.4
163.97758	0.4
164.07011	0.5
164.10716	0.3
165.09146	0.2
167.07025	0.6
168.06461	0.3
168.07889	0.3
168.10193	3.8
168.14677	0.8
169.04979	0.8
178.02594	1.1
179.06961	0.3
187.81210	0.3
192.10146	0.6
193.04970	2.7
193.08592	2.1
205.98715	0.3
210.04919	0.3
210.08005	0.3
210.11288	2.5
210.15620	1.0
211.05806	0.3
215.59180	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1534
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
53.03915	3.0
55.01863	4.5
55.05499	10.0
57.03429	24.4
57.07056	3.8
59.04994	9.9
65.03925	2.3
67.05505	13.1
69.03429	14.0
69.07054	13.7
71.04578	3.3
71.04935	13.2
75.55717	1.5
78.04700	2.3
79.05476	13.7
81.07059	17.7
83.04974	16.4
83.08603	9.8
85.02860	1.8
85.06532	4.3
91.05470	16.6
93.03410	2.0
93.07041	28.4
95.04948	8.0
95.08592	16.5
97.06516	10.5
99.08063	2.0
103.05453	3.3
105.07015	15.3
106.04162	8.1
107.04945	2.9
107.08582	68.2
109.06520	14.7
109.10146	39.8
111.08040	4.3
119.08547	11.7
121.06511	11.8
121.10133	61.9
121.10768	1.1
122.07260	4.4
123.08043	7.4
123.11676	8.2
125.05991	2.4
125.09591	9.8
131.04976	2.2
131.08556	16.4
133.10104	14.1
134.03621	1.6
135.08058	15.4
135.11652	15.2
136.08752	1.5
137.05888	2.3
137.09602	38.2
139.07507	3.3
139.11148	7.4
143.08542	4.5
144.09261	1.8
145.10118	6.9
147.04222	1.6
147.11633	7.7
149.05913	8.0
149.09613	7.9
149.12038	2.6
149.13242	49.8
149.14391	3.4
151.11153	16.6
153.09085	9.6
153.12741	3.0
158.10925	8.1
163.11143	2.4
163.14819	35.7
165.12762	4.1
167.10638	2.2
167.14360	2.3
173.13248	37.6
177.05490	8.1
191.06886	2.3
191.14288	100.0
192.14505	2.4
209.04457	1.9
209.08066	4.9
209.15353	58.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1535
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
53.03934	2.5
55.01872	5.7
55.05512	7.5
57.03431	6.2
57.07059	4.3
59.04978	2.6
65.03922	2.9
67.05495	10.1
69.03412	3.5
69.07064	8.6
70.70220	1.6
71.04982	5.2
78.04689	1.7
79.05492	13.1
81.03405	2.2
81.06598	1.4
81.07053	20.7
82.14483	1.1
83.04966	4.5
83.08592	4.8
85.02892	1.9
85.06512	3.1
89.03893	1.3
90.54341	1.1
91.05469	16.6
93.03400	4.8
93.07037	17.7
95.04374	1.9
95.04961	32.4
95.08601	11.7
96.64156	1.0
97.06523	32.0
97.10156	1.2
99.04432	4.2
99.08051	1.5
103.05464	5.8
105.04501	1.5
105.07026	13.9
106.04169	10.4
107.04935	3.5
107.08582	23.9
109.06506	100.0
109.10149	11.2
110.06849	1.5
111.08064	7.3
113.05972	1.4
113.09667	1.0
117.07004	2.3
119.04971	1.4
119.08573	8.1
121.06503	17.7
121.10126	17.3
123.04443	1.0
123.08041	8.0
123.11674	2.8
125.05943	6.1
125.09580	4.8
129.06990	1.2
131.04918	2.6
131.08554	5.9
133.10115	20.4
134.03632	1.9
135.04381	1.3
135.08023	12.6
135.11636	5.3
137.05917	2.3
137.09625	1.3
139.07486	2.8
145.02859	3.3
145.10103	6.2
147.11665	3.5
148.05151	3.3
149.05975	17.5
149.09602	3.8
149.13272	5.6
151.11157	3.9
153.05411	2.1
153.09093	31.4
158.10922	1.1
163.07585	1.1
163.11186	5.7
163.14799	4.2
165.12733	2.1
166.06255	1.1
167.14268	1.4
173.13220	10.6
176.87933	0.9
177.05476	10.1
181.08554	3.1
191.06969	2.6
191.10565	1.3
191.14294	25.4
209.04492	2.1
209.08078	7.7
209.11569	1.3
209.13545	1.2
209.15337	32.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1535
Annotation	3-Hydroxy-alpha-ionone
Peak:m/z	Relative Intensity
52.63935	1.1
53.03938	1.6
55.01874	6.2
55.05506	72.3
57.03408	2.7
57.07066	3.4
59.04983	3.2
61.47966	1.2
65.19395	1.1
67.05502	11.3
69.03427	6.9
69.07077	7.9
69.88887	1.1
70.76393	2.5
70.76731	1.7
71.04964	4.9
79.05482	6.5
81.07053	15.6
83.04971	100.0
83.08159	2.2
83.08615	38.3
85.06522	2.7
89.06001	1.9
91.05474	6.4
93.07034	21.2
95.04958	29.5
95.07078	1.1
95.08598	10.6
97.06528	7.8
97.10166	9.4
99.04437	5.5
99.08080	2.1
103.05439	2.1
105.07041	6.0
107.04940	1.2
107.08586	31.4
109.06503	27.2
109.09464	2.0
109.10147	23.4
111.08065	10.5
113.09647	2.5
119.04933	1.2
119.08561	3.6
120.40593	1.5
121.06480	4.1
121.10134	42.4
123.08054	2.7
123.11688	12.4
125.09605	14.7
128.75189	1.3
133.10106	10.1
135.04376	1.5
135.08026	5.6
135.11676	3.4
145.10110	1.6
147.11612	2.0
149.05930	3.7
149.09627	2.0
149.13223	13.1
151.07533	1.8
151.11174	35.6
153.05435	1.3
153.09096	13.0
163.07536	1.7
163.14851	7.6
167.14296	68.3
173.13264	4.4
177.05508	4.1
181.08636	1.3
190.44450	1.2
191.07024	1.5
191.14276	8.8
209.04408	5.0
209.08038	2.4
209.13499	2.8
209.15340	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	209.1534
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
53.03942	1.5
55.01867	4.8
55.05507	26.5
56.05833	0.3
57.03426	0.8
57.07073	3.0
57.97083	0.3
59.04988	0.6
65.03931	0.6
67.05499	14.5
68.90319	0.2
69.03428	1.0
69.07063	4.1
70.26104	0.7
70.26515	0.6
70.55456	0.3
71.04977	0.9
71.25237	0.2
74.09689	0.3
79.05487	12.4
81.03421	0.5
81.07050	18.6
83.04972	100.0
83.08606	3.2
84.05293	0.8
85.06535	2.5
91.05468	6.6
93.07037	22.5
94.07352	0.4
95.04964	1.8
95.08597	14.7
97.06509	1.7
97.10176	1.4
98.21452	0.3
98.82536	0.3
99.08112	0.8
103.05492	0.7
105.07017	2.9
107.04946	0.5
107.08582	15.2
109.06512	2.4
109.09460	0.5
109.10147	5.1
111.04431	0.6
111.08073	7.7
117.07001	1.7
119.08564	1.0
121.06496	1.6
121.10136	8.8
123.08011	0.7
123.11690	0.9
125.06007	0.6
125.09637	1.9
127.07538	0.3
129.06944	0.3
131.04921	0.4
131.08557	4.0
133.10147	1.5
135.08041	3.0
135.11644	1.5
137.09624	0.9
139.07524	0.7
145.10150	1.3
147.11670	1.7
149.05952	0.4
149.09598	2.3
149.12057	0.5
149.13248	8.8
151.11192	0.4
153.05484	0.3
153.06970	0.3
153.09154	1.3
163.07600	0.4
163.11168	0.4
163.14810	6.9
163.16103	0.4
163.72205	0.3
165.06888	0.3
165.12802	0.3
167.10609	0.4
167.14369	0.4
173.13283	3.0
177.05423	0.5
181.04720	0.2
181.15884	1.1
191.07011	0.6
191.14290	4.7
209.04332	0.6
209.06223	0.4
209.07933	0.5
209.09843	0.5
209.11705	0.6
209.15344	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	209.1534
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
53.03939	2.8
55.01869	3.5
55.05511	15.5
57.03435	3.0
57.07062	7.5
59.04986	4.4
62.64548	1.9
64.67912	1.8
65.03915	1.9
67.05500	23.2
69.03427	14.5
69.07067	27.6
70.08315	1.6
70.86237	3.3
70.86566	2.5
71.04994	4.7
79.05489	34.3
79.58186	1.5
81.03402	4.4
81.06590	3.0
81.07049	41.1
83.04966	11.0
83.08627	12.4
85.06566	1.9
87.15384	1.8
91.05475	23.3
93.03426	2.1
93.06482	3.3
93.07040	47.5
95.04987	8.5
95.08606	54.2
97.06511	11.6
97.10175	15.8
105.04483	2.2
105.07026	26.7
106.04163	5.5
107.04943	8.0
107.08592	100.0
109.06520	11.6
109.10165	23.0
111.08072	13.7
117.06993	5.1
119.08556	12.2
121.06497	35.2
121.09330	2.9
121.10135	34.4
123.08058	6.4
123.11698	5.5
125.05999	4.4
125.09632	17.3
129.06987	2.6
131.08549	22.0
133.10118	17.2
135.07103	3.3
135.08046	32.1
135.11684	9.4
137.09584	4.3
139.07468	2.2
143.08510	2.3
145.10085	10.8
147.11681	14.6
149.05940	5.8
149.09621	13.0
149.13277	22.5
151.11182	7.3
153.09122	6.0
158.10910	4.4
163.14801	32.4
165.12758	5.5
173.13248	34.6
177.05443	2.8
177.93301	1.8
186.96643	1.6
191.14302	64.6
195.22823	2.0
209.15364	59.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1536
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
50.80606	1.3
53.03933	9.3
55.01867	19.6
55.05507	15.0
57.03194	2.0
57.03429	23.8
57.07078	7.3
58.32190	1.2
59.04990	11.5
65.03936	12.8
67.05501	24.3
69.03422	21.5
69.07066	23.0
70.86302	3.5
70.86655	1.8
71.04983	15.5
75.04481	10.7
77.03891	1.7
78.04690	10.6
79.05481	21.7
81.03409	4.0
81.07050	28.8
82.04214	1.8
83.04971	21.4
83.08607	11.8
85.02886	8.7
85.06521	5.5
89.03893	4.8
91.04903	3.1
91.05473	53.3
93.03404	19.4
93.07037	51.1
95.04374	2.7
95.04961	42.6
95.08598	23.3
96.08891	1.5
97.06512	15.9
97.10159	2.4
99.04449	7.0
99.08056	4.5
103.05461	24.4
105.03341	3.3
105.04477	3.5
105.07022	21.2
106.04162	58.1
107.04970	8.6
107.08579	80.2
108.05706	2.1
109.02886	2.0
109.06512	29.9
109.10153	41.7
110.03613	2.3
111.04414	4.5
111.08070	10.8
115.05426	1.9
117.03374	7.0
117.06994	4.7
118.04099	3.0
119.04907	6.1
119.08587	15.9
121.06493	76.4
121.10134	72.2
121.10859	1.3
121.11026	2.2
122.07236	5.3
123.04450	3.4
123.08048	10.6
123.11678	11.3
124.05232	2.5
125.05977	15.7
125.09640	11.4
131.04927	7.6
131.08546	17.6
133.02869	1.7
133.07510	1.8
133.10124	20.8
134.03609	10.4
135.04376	5.2
135.07092	2.4
135.08032	16.9
135.11674	18.3
137.05974	8.1
137.09604	30.9
138.06673	2.1
139.07553	8.7
139.11159	9.2
143.08527	3.7
144.09297	1.4
145.02803	5.5
145.10146	14.1
147.04408	2.6
147.08070	2.4
147.11655	16.2
148.05153	7.6
149.05968	76.4
149.09630	12.9
149.13245	56.0
150.06485	1.7
151.03911	2.0
151.07507	6.3
151.11163	18.1
152.08405	1.6
153.05434	8.0
153.09097	24.0
153.12633	2.0
156.00229	1.5
158.10883	6.7
159.04413	2.9
163.03831	3.4
163.07532	9.1
163.11166	5.9
163.14807	35.3
165.06943	1.7
165.12708	4.4
166.06242	5.4
166.07584	2.3
167.06995	2.9
167.14267	6.4
173.13242	44.5
176.04697	2.3
177.05458	39.4
178.05966	2.8
179.08507	3.2
180.07785	2.1
181.04951	2.3
181.06320	1.6
181.08591	13.4
181.10020	2.2
191.07031	9.1
191.10580	3.2
191.14288	100.0
192.06371	1.5
192.14558	2.0
194.05745	2.0
206.59973	1.3
209.04398	6.0
209.08121	21.8
209.10008	2.6
209.11641	3.5
209.13364	5.4
209.15329	70.6
210.15668	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1534
Annotation	Unknow
Peak:m/z	Relative Intensity
52.16769	1.4
52.42905	1.4
53.03933	4.8
55.01846	2.8
55.05508	14.5
57.03420	4.2
57.07072	9.7
59.04973	2.8
60.30136	1.5
65.03922	1.7
67.05505	20.4
69.03433	12.0
69.07066	21.1
70.86147	4.1
71.04977	4.4
71.33185	1.3
79.05489	37.3
81.03407	4.3
81.07049	42.0
83.04980	12.3
83.08601	8.1
85.06541	4.5
91.05473	22.7
91.50468	1.4
93.03399	1.9
93.07039	40.9
95.04939	8.1
95.08600	53.9
97.06516	11.4
97.10166	11.7
99.08096	2.1
103.05463	3.2
105.07024	22.2
106.04150	4.4
107.04931	6.7
107.08585	100.0
109.06506	12.2
109.09445	2.8
109.10139	22.1
111.04431	1.9
111.08072	12.9
117.06983	7.9
119.08567	14.9
121.06507	34.7
121.10139	35.3
123.08066	5.6
123.11681	8.0
125.05012	1.4
125.05951	2.6
125.09615	16.3
131.08563	15.3
133.10123	15.7
135.08047	34.3
135.11667	10.7
137.09630	3.6
139.07487	3.4
145.10126	8.1
147.11700	15.1
149.05989	5.8
149.09628	15.1
149.13248	22.0
151.11163	3.5
153.09111	5.4
158.10930	4.8
161.13257	3.2
163.11143	1.8
163.14813	25.8
165.12756	6.0
165.34967	1.4
167.10719	3.5
173.13258	31.2
177.05473	3.8
191.14301	61.4
209.04439	1.5
209.15376	53.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1535
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
53.03917	1.6
55.01854	3.6
55.05508	10.9
57.03417	6.5
57.07059	4.3
59.04994	11.6
65.03915	2.5
67.05496	17.1
69.03423	12.6
69.07065	16.2
69.46892	13.6
71.04988	17.1
79.05480	11.9
81.03332	1.8
81.07052	20.8
83.04980	10.3
83.08599	6.6
85.06525	3.3
91.05463	13.6
93.07040	26.7
93.49381	1.4
95.04968	16.2
95.08607	19.2
97.05572	1.6
97.06515	8.3
99.04440	3.7
99.08038	1.5
103.05480	2.4
105.04433	1.6
105.07017	21.3
106.04159	5.2
107.04906	1.8
107.08585	74.2
109.06509	24.5
109.10147	42.5
111.08053	4.8
117.03389	2.0
117.06983	2.4
119.08550	9.6
121.06509	10.0
121.10130	77.2
123.08047	13.0
123.11717	9.9
125.05944	3.9
125.09608	6.2
131.08569	17.2
133.10103	15.3
135.08041	15.3
135.11656	14.7
137.09590	9.3
139.07561	2.4
139.11156	11.5
143.08472	2.0
144.09109	1.6
145.10063	7.5
147.11700	12.0
148.05286	1.9
149.05942	3.8
149.09608	13.7
149.12041	3.3
149.13243	61.5
151.07549	3.1
151.11131	11.1
153.09119	10.2
158.10886	7.4
163.14830	22.1
167.14326	4.8
173.13240	39.5
177.05476	3.8
191.14291	83.1
209.07996	3.8
209.15350	100.0
210.15585	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	209.117
Annotation	(+)-4,5-Didehydrojasmonic acid
Peak:m/z	Relative Intensity
53.03938	3.6
55.01866	11.0
55.05508	11.5
57.03423	1.4
57.07062	2.8
65.03930	3.3
67.05499	23.4
68.99789	2.6
69.03423	30.0
69.07065	8.3
69.87078	0.9
70.99043	2.1
71.04981	12.3
74.85620	0.9
77.68106	1.0
78.04688	1.0
79.05486	37.7
81.03413	2.0
81.07054	23.1
83.04978	9.7
83.08590	2.8
85.02914	1.0
85.06541	10.7
87.04446	1.7
91.05471	23.9
93.03405	2.4
93.07037	57.3
95.04958	25.9
95.08602	8.5
95.31660	1.0
95.41341	1.0
97.06499	10.1
99.04440	14.0
101.06021	1.3
103.05471	4.3
105.04455	1.1
105.06302	1.6
105.07024	43.6
106.04176	5.0
107.04946	6.7
107.08583	100.0
108.08899	1.9
109.06502	17.6
109.10150	2.9
111.04449	1.1
111.08080	2.3
113.05986	5.2
114.20897	0.9
115.03912	1.5
115.05447	1.2
117.03369	1.4
117.07001	9.6
119.06062	1.0
119.08565	20.6
121.06496	37.7
121.07368	1.8
121.10129	24.5
123.08052	4.4
123.11663	1.4
125.05997	4.5
127.07551	1.4
129.07016	1.6
130.07761	5.0
131.08592	5.0
133.06427	2.1
133.10112	3.8
134.03609	1.6
135.08041	20.1
135.11684	23.5
137.05945	1.5
137.09616	1.3
139.07578	2.0
139.11191	1.5
143.08571	2.8
145.10106	43.8
146.10439	0.9
147.07976	1.6
147.11646	2.5
148.05167	1.9
148.08820	1.4
149.05981	9.1
149.09612	15.2
149.13190	2.5
151.07513	2.8
151.11133	1.8
153.05394	1.3
153.09106	2.7
153.12759	2.3
153.53635	1.1
158.07277	2.0
163.11166	88.3
164.11545	1.1
167.10619	2.2
173.09627	8.1
173.13289	2.4
177.05429	4.1
181.08646	2.0
181.12204	3.4
191.06950	1.6
191.10654	26.3
191.14246	5.2
209.08148	2.7
209.11691	21.4
209.15271	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	209.0806
Annotation	Methyl ferulate
Peak:m/z	Relative Intensity
51.02378	1.7
53.03940	8.8
55.01865	14.8
55.05497	2.9
57.03420	2.4
59.04953	1.4
62.67042	1.1
65.03930	13.6
67.05502	7.6
69.03426	2.2
69.07043	3.8
69.55547	9.2
71.01367	1.2
71.04974	2.5
75.04474	11.6
77.03917	2.5
78.04693	11.0
79.05476	10.3
81.03420	2.9
81.07037	4.4
83.04958	3.7
85.02892	10.5
89.03918	5.9
89.06024	2.3
91.05469	47.7
93.03391	30.4
93.07031	20.0
95.04957	36.1
95.08574	3.6
96.05716	1.6
97.06538	11.5
98.20844	1.7
99.04428	3.4
102.04673	1.2
103.05456	19.2
105.03379	3.3
105.04507	4.7
105.07019	6.6
106.04160	76.0
107.04975	6.2
107.08575	8.3
109.06503	10.2
109.10149	2.8
111.04447	3.7
111.08076	1.8
117.03371	6.1
117.06955	1.6
118.04148	3.4
119.04955	6.6
121.06490	81.9
121.10148	4.2
123.04415	3.9
123.08047	3.6
124.05230	2.1
125.05978	21.2
125.09613	2.2
126.01054	14.4
131.04941	8.6
131.05905	1.8
131.08499	1.9
133.02850	1.7
133.06416	1.4
133.10130	3.3
134.03606	13.6
135.04385	4.0
135.08014	6.2
135.11682	2.1
136.82988	1.3
137.05981	11.4
138.06705	4.0
139.07521	5.9
145.02887	6.1
145.10094	2.3
147.04352	2.2
147.11693	1.3
148.05194	9.5
149.05963	100.0
149.09529	2.3
149.13269	2.5
150.06291	1.9
151.03938	2.6
151.07544	3.3
151.11177	2.7
152.08295	1.9
153.05470	8.1
153.09076	21.2
159.04428	2.7
162.03094	1.6
163.03888	2.1
163.07558	6.3
163.11220	3.0
163.14812	2.4
165.05498	1.8
166.06187	5.0
173.13316	2.4
176.04665	2.3
177.05457	41.6
181.08563	20.4
191.07018	8.9
191.14307	7.6
201.27557	1.6
209.04333	1.7
209.06073	2.1
209.08064	18.6
209.11646	2.2
209.15312	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	209.0806
Annotation	Hofmeisterin
Peak:m/z	Relative Intensity
53.03936	10.0
55.01865	32.5
55.05499	9.4
57.03417	3.7
57.07060	3.8
57.32511	1.6
59.04979	2.5
60.19190	1.6
62.09069	1.5
65.03938	11.2
67.00915	1.6
67.05500	19.9
69.03419	12.1
69.07068	8.7
69.45902	2.8
69.46310	11.1
71.04988	14.4
75.04474	11.6
77.03911	2.3
78.04697	13.9
79.05483	24.7
79.49902	1.6
81.03404	4.5
81.07050	17.4
83.04979	9.3
83.08574	4.3
85.02906	9.3
85.06522	5.9
89.03912	9.7
89.06013	3.0
89.85548	1.6
91.05473	63.2
93.03387	30.3
93.07034	43.4
95.04961	63.3
95.08586	14.2
97.06519	20.5
97.10156	2.1
99.04427	12.2
99.08055	2.0
103.05451	23.4
105.03416	2.3
105.04482	3.7
105.07018	24.2
106.04160	84.1
107.04957	9.6
107.08582	46.5
109.06512	43.6
109.10141	9.5
111.04437	3.3
111.08060	7.4
117.03363	6.8
117.06995	5.6
118.04155	3.1
119.04928	7.5
119.08552	11.5
120.05723	2.8
121.02898	1.9
121.06494	100.0
121.10129	19.3
122.03588	1.9
123.04426	5.8
123.08046	8.2
123.11659	3.3
124.05201	5.9
125.05991	21.1
125.09616	3.4
126.01072	10.8
131.04872	12.4
131.08557	6.8
133.02837	2.2
133.10110	14.4
134.03630	17.6
135.04401	6.5
135.08055	19.1
135.11688	12.7
137.05969	12.7
138.06743	5.4
139.07541	6.2
145.02843	9.7
145.10127	16.6
147.04404	3.9
147.11681	3.5
148.05177	12.0
149.05959	97.3
149.09584	13.5
149.13222	8.0
151.03830	2.0
151.07500	3.9
151.11151	5.7
153.05510	8.2
153.09084	35.5
158.10861	1.8
163.03857	5.0
163.07509	6.7
163.11176	32.4
163.14774	4.7
165.05476	2.6
165.12753	2.7
166.06285	3.0
167.07063	3.8
167.14328	2.3
173.09598	3.1
173.13239	7.2
176.04649	3.4
177.05457	50.6
181.08601	21.1
191.06984	10.4
191.08707	1.7
191.10652	9.1
191.14310	25.9
194.05847	1.9
209.04376	5.3
209.06145	2.2
209.08029	24.9
209.09746	2.8
209.11716	6.6
209.13467	2.5
209.15338	25.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1379
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
53.03922	2.0
55.01861	3.7
55.05495	4.2
57.03433	1.3
57.07059	1.7
59.04993	1.4
65.03933	9.8
67.05486	7.4
69.03413	6.3
69.07057	7.3
69.24382	13.5
71.04984	2.5
77.03908	4.0
78.04683	1.4
79.05492	10.8
81.03403	1.2
81.07044	13.2
83.04964	3.7
85.06532	2.5
89.03922	4.2
90.04703	2.9
91.05473	100.0
92.05780	2.1
93.03397	1.8
93.07040	18.3
95.04951	9.4
95.08593	8.6
97.06503	5.1
97.73618	1.3
99.04431	2.3
103.05455	4.4
105.03391	2.1
105.07024	30.2
106.04138	1.9
107.04934	5.2
107.08569	14.2
108.05711	3.2
109.06506	5.7
109.10129	4.2
111.08086	2.4
115.05350	1.4
117.07005	4.2
118.04144	7.4
118.38260	1.2
119.04932	86.1
119.07803	2.2
119.08575	24.1
120.05265	2.1
121.02837	2.2
121.06497	5.2
121.10150	8.7
123.04401	4.8
123.08053	9.1
123.11665	1.8
125.05981	1.2
128.06146	1.8
129.03394	1.7
129.06989	1.5
131.04897	2.2
131.08548	3.4
131.12201	1.5
132.02078	8.0
133.02832	1.6
133.06465	5.7
133.10129	12.4
134.03627	2.1
135.04395	4.4
136.05194	6.4
137.05951	4.5
137.09596	5.6
137.82582	1.4
143.08521	4.0
145.02788	2.2
145.10130	2.6
146.03603	10.0
146.07225	1.6
147.04401	69.9
147.08006	4.7
147.11658	19.7
148.04744	2.5
149.02335	19.9
149.05919	3.6
149.09637	7.2
151.07518	12.7
151.11151	1.4
156.09306	5.1
157.03993	5.8
159.11723	1.9
161.05980	12.5
161.09581	8.2
161.13242	16.5
163.03885	4.7
163.11168	1.7
164.04698	20.8
165.12709	4.1
171.11676	5.7
174.03082	6.9
174.10385	1.8
175.03889	67.2
176.04337	2.3
179.07016	22.4
189.05418	1.7
189.09059	3.5
189.12737	13.6
189.16409	1.3
192.04141	16.4
201.58144	1.3
207.06509	69.6
207.09846	3.5
207.13771	47.4
207.17041	2.0
208.14198	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	208.0453
Annotation	Unknow
Peak:m/z	Relative Intensity
50.78248	0.4
55.01880	0.6
56.05043	0.7
56.96584	1.4
57.07102	0.5
58.99861	2.0
68.05045	0.4
71.32519	0.5
71.51537	0.6
77.00888	2.3
81.03408	3.1
81.07098	0.5
82.83689	0.5
83.06103	0.8
86.99376	0.4
91.05473	0.4
93.07049	0.5
95.01965	1.0
96.42567	0.4
98.97582	1.0
100.02488	0.9
101.00871	0.9
103.02452	1.0
105.00407	0.6
108.04500	0.4
109.02872	3.3
109.07669	0.5
113.00871	0.9
115.02444	1.8
116.98686	0.8
118.01171	1.6
118.03540	1.5
119.01911	7.3
120.02072	0.6
121.01656	2.6
121.03481	1.0
129.04002	1.6
131.01909	6.7
133.03477	1.5
134.99704	1.2
136.02124	0.4
136.04547	0.5
137.02937	4.1
139.02507	2.2
141.02902	0.4
141.03979	2.2
142.03513	1.3
143.01880	0.5
144.02142	0.5
144.03282	1.2
144.05060	0.5
145.03456	1.8
147.05013	2.2
149.00890	1.3
149.02937	2.0
154.03561	1.0
156.00319	1.3
156.05128	0.7
157.02246	0.8
157.03459	12.1
159.01437	0.6
159.05002	5.4
161.02940	1.7
162.03078	3.1
162.04320	0.8
163.04474	0.7
167.01883	5.7
167.06781	0.5
173.02861	2.1
175.03047	0.6
175.04507	2.9
175.05722	0.4
177.00940	1.4
177.06070	1.6
179.03900	0.4
180.05154	1.2
182.06607	1.3
184.04488	0.7
185.02937	100.0
185.04393	3.6
186.03105	3.5
186.06236	0.6
190.03450	2.2
191.04034	0.9
198.05748	0.4
199.05681	0.5
200.07800	0.5
203.02301	2.6
203.03978	44.3
203.07556	2.1
204.04196	1.5
208.04514	27.3
208.14003	0.4
209.04518	1.6
209.07899	0.6
221.03162	1.8
221.05092	2.1
226.03471	0.7
226.05524	5.5
227.05681	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.0492
Annotation	Unknow
Peak:m/z	Relative Intensity
52.33950	3.8
53.03954	4.5
53.76071	3.2
55.01864	9.3
55.05506	9.6
56.05052	4.3
56.96564	63.6
57.03416	5.5
58.06585	9.1
58.99844	6.9
59.07364	11.1
60.08159	4.1
61.02901	4.3
67.01830	4.4
69.03416	13.3
70.06588	11.2
71.04993	4.3
71.51784	3.2
71.52120	6.8
73.02905	14.2
77.00903	7.9
77.51043	3.6
81.03429	22.0
83.04971	8.3
83.08638	5.1
84.04501	4.3
84.08144	19.9
85.02870	17.8
86.09688	8.8
91.05447	3.7
95.04941	4.2
97.02868	7.1
98.97580	15.3
100.02465	9.3
101.00887	13.7
103.02463	5.9
109.02881	17.7
110.01398	6.0
113.00824	4.4
113.37050	4.2
114.00895	3.6
115.02438	8.1
116.01366	3.4
116.98627	17.1
117.02171	10.1
119.00206	4.5
119.01116	6.7
119.01905	44.0
120.02033	13.0
120.84293	3.7
121.06502	6.2
121.61499	53.9
122.11726	7.7
127.00665	4.2
127.03851	4.4
128.98613	8.9
129.04019	5.2
130.05092	4.1
130.08635	4.0
131.00954	5.4
131.01892	62.7
131.04900	5.0
131.51978	10.8
131.99992	8.7
132.02000	25.0
133.01691	8.4
133.03462	9.6
133.99776	12.0
134.99675	6.7
135.03200	4.9
137.01889	11.7
137.02876	8.5
138.00002	5.2
138.02988	5.4
140.02441	6.0
141.00450	7.7
143.01846	6.2
144.00865	34.2
144.50928	10.1
144.98077	13.8
144.99777	4.4
145.01674	7.4
145.03526	19.2
145.99706	5.8
146.01523	5.2
146.03592	10.8
146.99643	7.8
147.05028	6.2
147.99542	4.2
149.02948	10.1
149.05940	6.4
150.00914	5.1
150.03067	6.1
151.99689	6.1
153.01373	31.2
153.51451	11.8
155.00284	11.0
155.01860	9.7
157.03494	33.7
158.03596	14.7
159.01385	9.8
159.03149	7.4
159.05058	8.2
161.01262	4.3
161.02907	14.9
161.99213	5.6
162.99127	22.4
163.02693	26.1
164.04709	5.9
165.00665	4.6
167.01118	6.9
167.02078	5.8
167.14297	7.8
169.03357	4.3
171.05005	4.5
173.00249	4.0
173.02911	29.3
174.04391	10.8
175.04486	6.5
176.04733	7.6
177.00879	6.5
177.05429	13.7
181.00201	6.4
181.03549	12.8
181.05112	4.3
182.99728	10.6
185.02942	100.0
186.03018	57.7
186.04308	9.0
186.06062	8.7
187.02736	8.3
187.04501	7.6
191.03976	5.3
191.07030	8.0
196.04547	8.1
199.04517	17.9
203.04001	35.0
204.04076	28.2
205.03766	4.6
208.99644	9.7
209.02937	9.0
209.04749	16.8
209.13794	6.7
209.15517	6.5
213.06010	5.1
227.03986	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	207.1378
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
52.93835	2.1
53.03928	5.4
55.01861	5.7
55.05505	13.4
57.03414	2.6
57.07062	6.9
59.04980	3.9
65.03926	4.9
67.05498	62.5
69.03425	90.4
69.07065	35.2
70.50873	4.4
70.51267	5.8
71.04967	4.9
79.05484	30.8
81.03408	20.2
81.07050	26.6
83.04972	11.3
83.08590	5.2
85.06532	4.2
86.88978	2.0
91.05467	23.1
93.07027	23.0
95.04960	49.7
95.08590	14.1
97.02871	5.7
97.06516	19.2
103.05465	2.4
105.07024	43.9
107.04930	4.0
107.08567	16.7
108.05750	3.0
109.06501	32.8
109.10139	9.4
110.07288	8.7
111.08071	18.1
117.07034	5.4
119.04919	5.0
119.08573	46.0
121.06477	6.9
121.10133	30.6
123.04418	73.6
123.07999	13.5
123.11662	3.7
125.09705	3.0
130.07779	2.3
131.08522	5.8
133.06490	7.4
133.10118	100.0
135.08099	3.8
135.11670	8.6
137.05989	18.6
137.09583	12.5
141.01576	2.2
141.02901	2.4
141.06992	4.3
143.08533	4.3
144.09323	2.4
145.10091	12.4
147.04405	4.3
147.08047	11.0
147.11673	22.0
149.09619	8.4
151.07535	7.1
156.09352	11.8
159.08040	4.4
159.11650	7.5
161.09671	4.0
161.13232	28.5
163.11163	21.7
165.12752	3.8
171.11632	13.3
174.10437	6.0
179.14264	6.5
189.12753	26.7
207.06467	3.4
207.13791	89.9
208.14151	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	207.1378
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
53.03928	4.3
53.07996	2.3
55.01843	5.2
55.05496	11.6
55.58318	2.5
57.07054	8.0
58.21807	2.3
63.47430	2.7
65.03927	6.3
67.05496	51.6
69.03423	83.5
69.07065	39.7
70.29870	3.8
70.30270	6.1
71.04977	7.9
79.05482	32.9
81.03402	18.0
81.07049	28.4
83.04996	16.3
91.05466	29.5
93.07030	29.2
95.04959	46.0
95.08615	23.9
97.02858	7.8
97.06528	18.5
105.07024	49.1
107.04903	9.5
107.08594	24.9
109.06508	24.8
109.10136	10.8
110.07277	8.6
111.08066	18.4
117.06172	2.5
117.07008	6.9
119.04943	16.3
119.08569	48.9
121.06458	4.7
121.10136	31.8
122.07166	3.9
123.04414	82.8
123.08005	14.2
123.11652	3.4
131.08559	10.2
133.06444	7.8
133.10117	96.6
135.08003	6.6
135.11676	6.0
137.05962	24.0
137.09575	14.1
143.08594	3.6
145.10097	13.7
146.03668	3.0
147.04362	14.3
147.08034	7.9
147.11688	22.2
149.02226	2.8
149.09570	13.5
151.07530	8.7
151.11145	2.8
156.09343	18.6
159.11655	8.5
161.09554	3.7
161.13252	33.8
163.11169	21.8
164.04636	4.9
165.09073	3.9
171.11646	16.2
174.10376	6.2
175.03903	10.3
177.12772	4.3
179.14261	7.2
189.12715	31.2
197.60118	2.6
207.06538	11.9
207.13780	100.0
208.14052	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	207.1378
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
53.03933	5.4
55.01857	2.9
55.05491	8.7
57.07073	6.0
59.04966	2.5
65.03917	4.8
67.05497	42.0
69.03092	3.7
69.03427	51.1
69.07064	23.2
70.23536	10.5
70.23872	2.4
71.04986	5.2
79.05152	1.9
79.05489	20.7
81.03391	10.5
81.07053	20.7
81.58868	2.3
83.04993	11.2
83.08606	2.9
85.02878	5.5
91.05476	42.6
93.07034	23.7
95.04963	33.5
95.08595	12.3
97.06543	14.2
98.46318	2.8
103.05463	3.5
105.03335	2.6
105.07022	48.2
107.04974	4.5
107.08597	18.3
109.06521	22.2
109.10130	9.0
110.07253	5.7
111.08083	12.7
117.06986	6.8
118.04099	2.1
119.04922	22.6
119.08571	33.7
121.06487	6.6
121.10143	24.2
123.04422	45.8
123.08100	16.3
123.11668	6.2
128.06256	3.1
129.07019	3.0
131.08562	8.6
133.06453	6.8
133.10109	55.2
135.04378	2.5
135.08064	4.9
135.11681	5.1
137.05971	13.2
137.09624	11.5
143.08556	5.3
145.09076	2.9
145.10071	14.5
146.03622	2.7
146.43379	2.0
147.04387	17.1
147.08026	9.4
147.11702	21.0
149.02325	4.9
149.09599	55.3
151.07491	7.6
155.08568	2.6
156.09341	13.2
157.04041	2.2
159.08073	4.6
159.11679	5.5
161.09558	5.6
161.13231	26.3
163.11139	17.0
164.04642	5.1
165.12692	4.1
171.11681	14.0
174.10374	6.6
175.03920	17.3
177.12729	2.7
179.07060	3.6
179.14192	2.7
189.12695	27.1
192.04124	4.5
193.99915	2.3
207.06473	11.1
207.13782	100.0
208.13960	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	207.1377
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
51.02381	1.9
53.03942	2.2
53.57879	1.0
55.01858	3.9
55.05513	8.3
56.96566	1.5
57.03424	1.7
57.07057	2.1
59.05018	1.4
63.02361	1.3
65.03933	8.7
67.05502	13.0
68.99755	1.4
69.03089	1.1
69.03426	14.3
69.07060	13.1
70.06570	1.5
71.04978	4.7
71.27574	1.1
71.27904	1.7
73.41208	1.3
77.03918	2.6
79.05486	12.7
80.06252	1.3
81.03400	4.9
81.07050	17.8
83.04976	7.6
83.08601	2.4
85.02917	7.0
85.06546	2.6
89.03888	4.8
90.04694	1.4
91.05474	100.0
92.05783	2.2
93.07024	16.6
95.04969	11.0
95.08594	17.3
97.02897	1.8
97.06518	4.6
97.88194	1.1
98.97574	4.4
99.04456	1.9
103.05473	4.7
105.03386	5.5
105.07026	39.3
107.04964	6.0
107.08580	18.5
108.05745	2.5
109.06514	11.0
109.10147	9.4
110.07226	1.6
111.04382	1.7
111.08062	4.3
115.05447	2.3
116.98614	3.9
117.06981	6.3
118.04126	7.3
119.04935	80.0
119.08566	41.5
120.05239	1.5
121.02858	3.3
121.06514	6.0
121.07539	1.0
121.10125	19.4
123.04440	7.0
123.08063	15.1
123.11691	5.9
123.72994	1.2
125.05983	1.2
128.06203	1.6
129.06982	2.7
130.07794	1.7
131.04881	1.9
131.08527	7.3
132.02026	7.4
133.02843	1.7
133.06465	8.4
133.10127	19.4
133.11122	1.8
134.03610	1.9
134.06027	1.1
134.99698	1.2
135.04398	3.5
135.08015	5.3
135.11661	4.1
136.05156	2.6
137.05986	6.0
137.09592	8.9
137.13254	1.2
141.06950	1.6
143.08519	3.9
144.08109	1.2
145.02838	2.5
145.06474	1.6
145.10110	6.9
146.03630	7.0
147.04401	63.6
147.08026	10.1
147.11676	25.1
148.08693	1.3
149.02319	10.6
149.05980	2.4
149.09598	21.9
150.03085	1.2
150.10173	1.5
151.07541	13.0
151.14813	1.2
156.09370	6.6
157.03954	5.7
159.08012	2.5
159.11687	3.9
160.08817	2.0
161.05960	4.3
161.09621	9.1
161.13245	19.0
162.05486	3.1
163.03909	4.3
163.11163	6.3
164.04668	10.1
165.09091	3.3
165.12700	6.3
171.11642	8.0
173.01236	1.4
174.03102	6.4
174.10402	2.8
175.03894	68.8
176.04314	2.0
177.00627	2.7
177.05367	1.5
177.12726	4.0
179.06978	13.9
179.08371	1.7
179.10687	1.7
179.14311	3.3
189.05505	3.0
189.09119	4.3
189.12737	22.2
189.16374	3.4
191.02202	2.3
192.04149	21.0
207.03111	2.4
207.06514	55.8
207.10123	5.3
207.13780	54.7
207.17476	3.5
208.14113	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1378
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
53.03925	4.9
53.61542	1.5
55.01850	2.1
55.05508	9.1
55.90727	1.3
56.36784	1.4
56.96543	1.7
57.03411	3.4
57.07052	4.7
64.03843	1.6
65.03917	6.2
65.53277	1.4
67.05183	2.1
67.05501	33.8
69.03413	4.6
69.07042	4.9
70.07812	7.5
71.04964	4.0
77.03912	1.7
79.05486	13.0
81.07049	9.9
83.04985	6.9
85.02879	5.7
85.06546	11.2
89.03905	1.6
91.05474	56.0
93.07036	18.8
95.04962	10.8
95.08598	100.0
103.05438	2.6
105.03382	40.9
105.04478	2.7
105.07018	30.2
106.03696	5.6
107.04935	3.8
107.08593	25.9
108.05682	1.6
109.06498	10.0
109.10159	7.6
111.08057	2.0
113.05966	3.8
117.07036	4.8
118.04127	3.6
119.04925	35.3
119.08569	41.5
120.09329	1.7
121.02867	1.9
121.06487	5.7
121.08395	2.4
121.10129	22.4
123.04426	2.4
123.08055	61.9
123.11697	11.0
128.06227	1.6
129.06981	2.6
131.08514	8.5
132.02057	2.0
133.06461	4.7
133.10091	12.1
135.08060	9.9
135.11693	4.2
136.05197	2.3
137.09619	8.2
137.13228	1.9
139.07549	2.0
143.08545	4.9
145.10092	5.2
146.03595	3.0
147.04393	28.3
147.08020	13.2
147.11668	22.3
149.02319	5.6
149.09616	36.7
151.07552	8.9
151.14812	4.0
153.09128	1.6
154.59727	1.5
156.09302	9.5
157.03964	1.7
159.08012	2.6
159.11670	2.2
160.08820	2.3
161.05936	1.5
161.09608	4.9
161.13237	23.7
163.11143	4.4
164.04613	2.7
165.09071	2.0
165.12753	11.9
171.11662	11.6
174.10405	4.8
175.03883	31.5
179.06999	3.5
179.14253	3.3
189.12724	34.4
192.04091	10.1
207.06502	28.2
207.13794	50.1
223.47873	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1377
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
51.02378	2.0
53.03938	8.1
55.01873	1.6
55.05503	6.7
65.03928	1.6
67.05497	26.8
69.07069	6.1
71.04494	1.6
71.04974	2.6
73.06544	1.2
78.15336	0.9
79.05486	50.7
81.03406	1.9
81.07046	23.1
81.65701	0.9
83.04970	3.9
83.08607	2.8
85.06521	2.5
91.05471	55.0
93.07033	100.0
95.04956	15.6
95.08591	8.4
97.06524	0.9
97.10143	1.2
97.95676	0.9
105.04485	2.5
105.07023	33.0
107.04964	1.2
107.08601	10.5
108.41820	0.8
109.06502	3.8
109.10144	1.5
111.08033	1.0
117.06993	4.5
119.08569	15.5
121.06460	2.1
121.10127	2.7
123.08037	4.1
127.07541	1.0
128.06198	0.9
129.06967	9.4
131.08539	1.5
133.06413	2.1
133.10123	6.0
135.08012	1.0
143.08554	5.9
145.10110	7.7
147.04346	1.4
147.08049	1.4
147.11670	54.5
148.83047	0.8
151.07497	1.5
154.55434	0.9
161.09605	3.4
161.13249	7.8
163.03864	1.7
171.10274	1.4
171.11670	18.2
174.87187	0.9
189.12720	10.5
207.06509	5.1
207.13770	18.1
207.15692	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.065
Annotation	5,7-Dimethoxychromone
Peak:m/z	Relative Intensity
51.02378	0.9
53.03931	0.7
55.71462	0.6
61.64991	0.6
65.03936	8.5
67.05497	0.9
69.03403	0.7
69.07047	0.8
71.04102	1.2
71.04428	0.6
71.05003	0.6
76.03136	1.2
77.03916	3.0
79.05494	3.1
80.06246	1.0
81.07044	1.0
89.03895	4.7
90.04688	1.3
91.05473	94.3
92.05797	1.9
93.03390	0.8
93.07024	1.2
95.04967	2.0
95.08612	1.5
103.05450	2.6
104.02608	1.3
105.03395	2.5
105.07024	2.3
106.04186	0.6
107.04947	2.1
107.08537	1.1
108.05710	1.2
109.06486	0.9
117.03404	1.0
118.04155	10.0
119.04931	100.0
119.08549	2.7
120.05271	1.2
121.02871	2.9
121.06483	1.0
121.10139	1.6
122.03652	1.3
123.08057	1.0
123.11735	0.7
129.03368	1.7
129.04474	0.7
130.72371	0.6
131.04898	0.9
132.02058	8.6
133.02814	1.3
133.06517	0.9
133.10153	1.3
134.03557	1.0
134.06006	0.7
135.04388	4.4
135.08066	0.9
136.05214	3.4
137.09564	0.5
143.08612	0.8
145.02853	2.1
146.03618	3.8
147.04396	74.6
147.11700	1.6
148.04799	1.8
148.17279	0.6
149.02327	11.4
149.05919	0.8
149.09563	1.4
150.03059	0.9
151.07498	1.4
155.75937	0.6
157.03947	8.2
160.01559	0.7
161.05948	1.0
161.09601	1.1
161.13278	0.9
162.03128	1.2
162.05421	3.0
163.03899	1.9
163.11220	1.4
164.04678	8.1
165.05304	0.9
174.03163	3.9
174.04453	0.6
175.03893	85.3
176.04315	1.3
177.01831	3.2
178.02628	0.6
179.06998	9.5
180.06525	1.2
189.12749	1.0
190.04854	0.6
192.04152	32.0
192.54768	0.5
193.04585	1.0
207.06494	49.3
207.13797	2.3
208.05952	3.7
219.62532	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.065
Annotation	5,7-Dimethoxychromone
Peak:m/z	Relative Intensity
51.02370	0.9
53.03940	0.6
55.01876	0.7
56.56503	0.5
61.39803	0.5
65.03932	10.5
69.58543	3.5
76.03146	0.9
76.78307	0.6
77.03926	3.0
79.05479	2.8
80.06252	1.0
81.07044	0.8
83.19422	0.5
84.37529	0.5
85.02901	8.2
89.03902	6.0
90.04694	1.5
91.05470	100.0
92.05801	1.1
93.03372	1.2
93.07049	0.9
95.04949	1.5
95.08584	0.7
95.94978	0.5
98.20731	0.7
103.05460	2.2
103.11773	0.6
104.02618	1.5
105.03374	3.1
105.07026	1.2
107.04935	2.3
107.08576	0.7
108.05731	1.4
109.10138	0.9
117.03386	1.3
118.04147	10.8
118.63615	0.7
119.04929	93.7
119.08569	1.7
120.05270	1.3
121.02880	3.6
121.06514	0.6
122.03651	1.5
123.11700	3.8
125.06023	1.2
129.03366	2.0
129.04352	1.0
131.04869	0.7
132.01176	0.5
132.02063	9.9
133.02797	1.7
134.03639	1.7
135.04373	4.3
136.05196	2.8
145.02853	2.6
146.03566	4.3
147.04393	71.3
148.04742	0.9
149.02321	13.9
149.09624	1.2
150.03102	1.1
151.07504	0.9
156.76268	0.6
157.03940	7.8
160.01466	0.7
162.03157	1.2
163.03940	3.5
163.05048	0.5
164.04684	9.0
174.03119	3.1
175.03889	82.7
176.04253	1.2
177.01846	4.1
178.02621	0.9
179.07019	6.5
189.12714	1.3
192.04160	32.2
193.04485	0.8
207.06503	50.3
207.13644	2.7
208.06961	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.065
Annotation	5,7-Dimethoxychromone
Peak:m/z	Relative Intensity
51.02372	0.9
53.03917	0.8
62.01582	0.6
64.03133	0.8
65.03934	9.0
67.05489	1.1
68.44666	0.6
69.03416	1.4
69.07052	1.1
70.50787	1.3
70.51180	1.1
71.04989	0.7
74.09840	0.6
76.03133	0.8
77.03914	3.3
78.04709	0.6
79.01862	0.5
79.05491	2.9
80.06256	1.9
81.07043	1.8
85.02898	0.7
85.62528	0.6
89.03918	5.3
90.04689	1.5
91.05471	100.0
92.05802	1.3
93.03387	0.7
93.07020	3.4
94.04216	0.5
95.04952	2.1
95.08620	1.1
97.06506	0.8
98.97567	1.9
103.05460	2.0
104.02625	1.2
105.03372	3.7
105.07030	3.5
107.04958	3.2
107.08556	2.8
108.05741	1.1
109.06487	0.8
116.98599	0.9
117.03365	1.6
117.07042	0.7
118.04166	7.9
119.04928	96.4
119.08562	3.4
120.05241	1.4
120.99547	0.6
121.02856	2.4
121.06503	0.9
121.10146	0.9
122.03665	1.3
123.08080	1.4
129.03355	2.5
129.04401	1.1
131.04938	1.0
131.08502	0.7
132.02061	8.1
133.02831	1.4
133.06462	1.2
133.10126	1.8
134.03610	1.0
135.04408	4.4
136.05199	3.2
137.05946	1.5
137.09586	1.0
145.02850	2.6
146.03606	5.0
147.04395	81.0
147.11731	1.3
148.04787	1.2
149.02333	10.5
149.09598	1.3
150.03116	1.6
151.07542	1.2
157.03947	8.3
161.09598	2.3
161.13245	1.1
162.03137	0.8
163.03871	1.2
163.11133	1.1
164.04663	6.2
165.12624	0.6
174.03093	3.8
175.03888	93.9
176.04271	1.5
177.00511	1.1
177.01834	1.9
179.07014	9.4
189.09134	1.4
189.12761	1.5
192.04146	23.1
207.06503	43.9
207.13821	1.9
213.25594	0.6
223.23845	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.195
Annotation	(-)-alpha-Chamipinene
Peak:m/z	Relative Intensity
50.99817	1.0
52.69402	0.8
53.00308	1.0
53.03945	2.1
55.01854	1.0
55.05504	11.3
57.03406	0.9
57.07077	14.1
60.04512	2.1
65.03935	6.6
67.05496	10.2
69.03430	1.6
69.07062	17.9
69.64047	5.5
71.08611	0.9
72.93776	4.9
79.05482	10.5
81.03421	2.1
81.07051	33.8
83.08624	5.4
84.04501	3.0
85.02890	3.6
85.04828	2.1
90.94812	1.7
91.05470	7.0
93.03416	1.9
93.07037	37.0
95.04966	1.2
95.07978	1.5
95.08598	27.4
96.04475	1.8
97.02884	10.5
97.04831	2.1
97.10166	5.9
98.03233	2.3
99.01530	1.0
99.04426	2.0
103.05407	1.1
105.07022	5.0
106.98058	0.9
107.07872	1.5
107.08588	28.4
109.02874	3.7
109.06479	1.2
109.10148	25.3
110.54830	0.9
110.72377	0.9
111.04434	2.0
111.11726	2.4
112.34866	0.8
113.96372	10.5
115.05855	2.6
117.07028	1.0
117.33276	0.8
118.31271	0.8
119.08592	1.5
121.02859	13.0
121.03887	2.1
121.06516	1.4
121.10134	59.4
123.11699	11.2
126.05533	1.2
127.03873	1.4
127.05850	3.3
130.56067	0.9
131.08566	1.6
131.97423	11.8
135.11670	20.0
137.13240	1.9
145.10117	2.2
148.18140	0.9
148.91603	0.9
149.02330	100.0
149.13246	35.9
150.02682	3.2
150.13588	1.4
154.99007	3.3
163.11098	1.3
163.14824	5.1
167.03369	2.9
177.05431	1.2
177.12672	1.4
178.70506	0.8
190.04936	1.9
205.08875	4.6
205.12222	2.3
205.14091	3.4
205.15919	2.9
205.19507	26.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	206.0445
Annotation	6-Hydroxykynurenate
Peak:m/z	Relative Intensity
50.96318	0.3
53.03926	0.3
54.23788	0.3
55.01839	0.5
56.96555	3.9
57.03424	0.8
57.07075	0.5
58.54210	0.3
60.04500	0.5
65.03925	0.4
67.05473	0.4
68.99792	0.5
69.03409	1.3
69.50164	1.2
69.50592	1.3
70.06577	0.4
72.93745	0.3
73.02905	1.0
75.05582	0.5
77.03898	0.3
79.05472	0.5
81.03385	0.7
81.04572	0.3
83.06087	0.5
84.08115	0.8
84.96034	0.3
85.02891	1.2
86.03247	0.3
91.05476	1.6
95.04938	0.7
95.06020	0.5
95.08598	0.5
96.04488	0.4
97.02882	1.2
98.03208	0.3
98.97564	1.3
99.04460	0.4
104.04974	0.9
105.03375	0.4
107.04958	2.1
110.01265	0.5
110.06042	0.4
110.07160	0.4
111.09217	0.4
116.98585	1.4
119.01776	1.5
119.04904	1.2
120.98118	0.3
122.03183	0.4
122.07096	0.4
128.02286	2.6
128.98575	0.9
132.04433	27.8
134.01230	0.4
134.06013	0.5
134.99631	0.8
137.02821	0.9
146.05965	0.4
146.99637	0.6
147.01237	0.5
147.04407	1.2
148.08708	0.6
149.02362	0.8
150.02655	2.1
150.05469	0.6
151.03848	0.7
158.05563	0.3
160.03925	0.4
162.10143	0.4
173.01169	0.5
174.01828	0.4
175.03877	0.7
178.04965	100.0
179.05345	1.5
182.99542	0.7
188.07059	0.4
189.11266	0.5
191.14275	1.3
192.04221	0.5
201.00648	2.3
206.04460	48.6
206.08076	1.1
206.13931	0.4
207.02980	0.4
207.04755	0.7
207.06531	0.7
219.01765	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.1222
Annotation	Plastoquinone-1
Peak:m/z	Relative Intensity
51.02370	0.5
53.03939	2.8
55.01867	0.4
57.07069	0.5
59.04978	0.3
62.02251	0.2
65.19937	0.2
66.72488	0.2
67.05482	0.3
69.03411	0.4
69.07056	0.3
69.87049	0.5
69.87459	1.1
77.03912	0.9
79.05489	0.9
81.03413	0.5
83.04967	0.7
85.06525	0.7
91.05471	14.9
93.07032	58.0
94.07378	0.8
95.04951	5.6
97.02917	0.3
97.06493	0.5
103.05466	2.8
105.04507	1.1
105.06998	1.5
107.08604	0.8
117.07011	1.1
119.08568	1.2
121.06490	100.0
122.06805	1.2
122.22556	0.2
127.07579	0.3
129.07050	0.5
130.07751	0.5
131.08527	0.9
133.06493	0.4
135.08049	0.6
135.11681	0.5
139.07526	0.3
140.40080	0.2
144.09268	0.6
145.06499	0.3
145.10129	0.7
147.08003	0.5
149.02328	0.9
149.05894	0.4
149.13228	0.3
159.11665	3.0
163.11163	1.1
175.11229	0.4
177.12793	1.1
187.11211	0.6
198.57954	0.3
205.12218	13.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.195
Annotation	(+)-Theonellin
Peak:m/z	Relative Intensity
50.16328	0.5
51.02394	0.6
53.03947	0.7
55.05507	5.6
57.06797	0.6
57.07068	10.7
60.04517	0.8
65.03932	6.3
67.05495	5.9
69.03432	0.6
69.05345	0.8
69.07059	9.6
69.77412	2.3
69.77843	1.6
71.08629	1.1
72.93755	1.6
79.05486	7.3
81.03405	1.0
81.07045	32.1
83.08592	3.7
84.04471	1.4
85.02879	0.9
85.04829	1.6
90.94790	0.8
91.05476	3.8
93.03381	1.8
93.07030	30.0
94.07358	0.7
95.04942	1.1
95.08591	15.2
96.04465	1.4
97.02876	5.3
97.04807	0.8
97.10178	2.9
98.03201	1.3
99.04412	0.8
105.07008	2.3
107.08582	18.7
109.02842	1.5
109.10147	10.7
111.04414	1.4
111.11715	0.9
113.96400	1.6
114.05469	0.7
117.06996	0.6
119.08569	0.9
121.02854	14.3
121.03932	1.8
121.06460	1.1
121.10126	52.8
122.10503	1.3
123.11683	4.9
126.05525	0.9
127.05814	1.8
131.97409	3.0
135.11673	10.5
137.13240	0.6
145.10129	1.1
149.02319	100.0
149.12035	1.1
149.13237	22.0
150.02652	3.9
150.31033	0.5
163.14810	2.8
167.03416	2.3
175.24870	0.5
190.04974	1.3
191.14296	4.4
205.04941	0.8
205.06975	0.7
205.08865	2.3
205.12215	1.2
205.14088	1.2
205.15872	1.6
205.19495	11.5
206.08086	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1794
Annotation	7,8-Dehydro-alpha-acoradiene
Peak:m/z	Relative Intensity
52.66147	0.8
53.03931	1.5
55.05504	7.8
55.73596	0.9
56.05016	1.8
57.03411	1.6
60.04515	11.1
61.02904	2.6
67.05498	18.5
68.05024	9.4
69.03420	2.4
69.07056	8.1
69.19430	8.5
72.04504	0.8
77.96539	0.9
79.05482	13.3
81.03403	1.6
81.07050	32.9
83.04958	1.3
83.08588	3.1
84.04494	18.1
85.02880	4.0
91.05469	17.5
93.07032	22.5
95.04918	1.1
95.08595	54.1
96.04488	16.6
97.02882	19.1
97.03506	0.9
98.06036	1.5
98.20678	1.7
99.04462	1.0
101.10168	0.8
105.07019	44.8
107.04932	0.8
107.08578	32.4
109.02833	1.1
109.06501	1.3
109.10144	30.1
110.06060	3.9
114.05518	18.2
115.03887	1.2
115.05446	3.5
117.06989	2.9
119.08565	35.3
121.10126	26.6
123.11693	7.4
126.05505	25.5
127.03899	1.6
128.06218	1.8
129.06989	2.1
131.08534	3.3
132.05634	1.6
133.10115	31.3
135.08028	0.9
135.11673	8.3
138.05484	4.9
142.07729	1.5
143.04958	1.1
143.08592	1.3
144.06587	4.6
144.11389	0.9
145.04941	1.8
145.10066	4.5
147.08000	2.1
147.11667	57.2
156.06485	1.6
157.10104	2.8
159.11681	2.8
160.05186	4.3
160.12457	1.5
161.02876	0.9
161.09662	1.7
161.13239	17.0
168.06558	3.7
175.07518	5.2
175.11168	1.8
175.14864	6.8
185.09674	1.0
185.13281	1.4
186.07649	3.5
188.04585	4.2
188.08345	1.0
189.11488	1.0
198.78578	0.8
203.05363	1.4
203.07034	9.1
203.08635	1.0
203.08997	0.9
203.10649	6.9
203.14261	5.9
203.17938	100.0
204.08670	15.9
204.13754	4.0
204.18266	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	203.1794
Annotation	Eremophila-1(10),8,11-triene
Peak:m/z	Relative Intensity
50.65372	1.2
53.03930	2.6
55.01853	3.2
55.05512	10.4
56.05010	1.8
57.03428	1.6
57.07056	3.6
59.93097	1.5
60.04519	18.9
61.02903	4.0
65.03912	1.4
67.05497	22.2
68.05018	12.9
69.03419	3.1
69.07058	17.4
70.92610	2.0
70.92943	2.4
79.05474	11.7
81.07046	30.6
82.12296	1.4
83.08597	4.7
84.04493	30.3
85.02885	5.0
85.38387	1.3
89.80452	1.3
91.05476	21.5
93.07037	19.9
95.04987	1.7
95.08595	63.0
96.04485	25.5
97.02296	2.2
97.02881	29.7
97.10154	1.5
98.06036	5.1
99.04406	1.3
100.81231	1.2
103.05421	2.4
105.07019	76.4
107.04861	1.5
107.08578	25.3
109.02861	1.9
109.09390	2.0
109.10136	29.8
110.05997	4.6
114.05521	26.3
115.03879	1.6
115.05464	3.7
117.07011	5.0
119.08569	57.1
121.09331	2.4
121.10130	31.6
123.11688	6.6
126.05513	33.8
127.03892	2.7
128.06194	1.9
129.06985	3.9
131.08536	6.5
132.05743	1.3
133.10115	55.3
134.96225	1.9
135.11662	5.3
138.05490	5.3
142.07771	2.5
143.04953	1.6
143.08513	4.1
144.06575	6.2
145.04973	2.1
145.06523	2.1
145.10120	11.7
147.04420	1.5
147.08008	4.4
147.11668	71.0
148.11984	1.9
156.06540	2.1
157.10138	4.7
159.08116	2.0
159.11705	6.0
160.05147	4.5
160.12428	5.7
161.09572	3.1
161.11992	2.2
161.13246	27.5
161.14581	1.5
168.06570	6.0
170.10895	1.7
171.04343	1.7
175.07550	7.9
175.11098	3.1
175.14778	4.4
179.97742	2.1
182.69975	1.4
185.13232	3.9
186.07503	1.8
188.04616	3.5
188.08348	1.7
188.10655	1.3
188.15552	1.7
189.11481	1.7
203.03404	2.3
203.05255	1.9
203.06973	12.3
203.08997	1.8
203.10567	9.6
203.14348	12.2
203.17938	100.0
204.08661	18.7
204.13811	10.5
204.18228	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1792
Annotation	7,8-Dehydro-alpha-acoradiene
Peak:m/z	Relative Intensity
51.86184	1.0
53.03946	2.1
55.05513	7.9
57.03436	1.3
57.07061	4.5
58.07394	1.1
60.04523	9.6
62.06076	3.6
65.03938	1.3
66.77097	1.0
67.05502	20.1
68.05026	7.9
69.07074	8.3
69.87927	4.3
69.88336	1.8
76.51734	1.2
79.05505	8.1
81.03414	1.5
81.07048	43.6
81.07531	2.3
83.08595	2.8
84.04495	14.2
85.02895	3.1
86.10516	1.2
91.05469	12.7
93.07029	22.3
95.08598	80.0
96.04483	12.4
97.02880	12.0
98.06025	2.0
98.21493	1.6
105.07023	44.7
107.08582	41.1
107.09312	2.3
109.10148	38.8
110.06022	2.5
110.10504	1.1
114.05522	9.5
117.07030	2.6
119.08571	37.2
121.10135	17.3
123.11700	9.0
123.32117	1.2
126.05494	16.5
127.03869	1.5
131.08556	3.4
133.10115	30.0
134.10434	1.3
134.96214	1.4
135.11691	3.5
138.05467	2.5
139.37466	1.2
143.08478	1.1
144.06549	2.9
145.10136	5.2
147.11671	55.2
147.99002	1.1
158.30469	1.1
159.11652	3.9
160.12540	1.5
161.13243	18.6
168.06511	2.2
175.07520	1.3
175.14815	7.6
185.20891	3.0
186.07590	2.3
189.51604	1.1
193.62624	1.2
203.07036	2.2
203.10594	1.6
203.17941	100.0
203.21960	24.5
204.08696	10.8
204.13890	5.9
204.18269	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	203.1794
Annotation	7,8-Dehydro-alpha-acoradiene
Peak:m/z	Relative Intensity
53.03927	2.7
55.01870	1.4
55.05511	7.9
56.05026	1.6
56.96560	1.3
57.03403	2.4
57.07066	5.3
58.07420	1.5
58.20562	1.3
60.04520	14.2
61.02919	3.0
62.06076	1.6
67.05499	20.6
68.05032	10.7
68.44343	1.1
69.03425	2.2
69.07069	12.3
71.52882	2.1
72.04510	1.4
79.05481	9.2
81.03397	2.3
81.07049	30.5
83.05012	1.6
83.08592	4.3
84.04501	21.0
85.02885	5.2
91.05476	20.6
93.07033	24.5
95.04958	1.8
95.08601	70.6
96.04496	17.5
97.02894	22.9
98.06032	3.2
99.04448	1.8
100.02485	2.0
103.05448	1.8
105.07026	46.2
107.08584	34.9
109.02827	1.3
109.10150	35.9
110.06039	3.8
114.05524	17.8
115.05504	1.6
116.95210	1.6
117.06999	3.2
118.03513	1.2
119.08572	37.9
121.10129	29.2
123.11692	6.8
126.05511	27.9
128.06296	2.2
129.06987	2.6
131.08551	2.8
132.05695	1.3
133.06477	2.5
133.10118	37.8
134.96248	3.6
135.11690	5.4
138.05481	4.0
142.07784	2.1
143.08549	2.3
144.06537	4.8
145.10126	6.6
146.30040	1.4
147.04324	1.5
147.08012	1.6
147.11676	59.7
156.06572	2.7
157.10104	2.2
159.11694	4.4
160.12471	3.1
161.09604	2.1
161.13251	22.4
168.06572	5.4
170.10979	1.7
175.03828	1.3
175.07526	3.2
175.14804	8.6
179.97801	1.5
185.05815	1.3
185.13219	1.2
186.07588	4.5
189.11385	2.1
203.03426	2.0
203.07047	3.5
203.10635	7.3
203.14465	8.3
203.17944	100.0
203.21953	20.1
204.08669	18.1
204.13841	14.0
204.18250	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	203.1389
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	2.2
55.05498	4.7
56.05023	2.0
56.96553	11.2
57.03418	2.8
57.07063	1.4
59.06124	1.1
60.04519	18.0
61.01124	1.3
61.02906	5.0
62.13593	1.1
62.55083	1.0
67.05484	3.9
68.05021	14.5
69.03421	8.3
69.07046	3.6
69.97457	1.4
70.06567	3.2
70.13573	4.9
71.04989	1.5
72.04509	2.7
72.08142	9.7
73.02895	5.5
79.05490	1.7
81.03423	5.4
81.07042	5.6
83.01300	1.3
84.04489	13.2
84.08133	3.0
85.02899	12.1
86.09698	100.0
91.05457	6.0
93.07030	3.6
95.04932	1.8
95.08617	5.9
96.04483	27.3
97.02880	28.9
98.06042	3.2
98.21407	1.6
98.97559	5.5
99.04449	2.2
100.02455	1.2
100.03970	1.1
100.85262	1.0
101.00876	1.5
101.02519	1.0
103.05489	1.2
105.07015	9.9
107.08578	3.8
109.02834	1.6
109.06522	1.5
109.10130	4.0
110.06031	7.2
110.09669	1.4
114.05527	24.0
115.03911	2.3
116.98598	6.1
117.07083	1.1
117.98766	1.1
119.01906	10.4
119.08563	9.1
120.96513	1.6
121.01707	1.0
121.10135	2.5
122.06021	1.7
123.01879	1.0
124.03867	1.4
126.05513	19.5
127.03880	3.7
129.06950	2.8
130.06487	1.9
131.01976	2.2
131.04822	1.6
131.08551	1.3
132.10190	64.8
133.10085	6.7
134.99625	4.5
137.02914	3.7
138.05469	6.1
143.01907	3.5
143.03093	1.1
144.06496	2.2
145.04939	1.6
145.10133	1.9
146.99615	1.6
147.01318	1.2
147.04265	1.3
147.08022	1.8
147.11667	10.5
156.06514	2.4
157.03473	1.5
157.06436	2.3
157.10095	2.1
157.13303	8.3
158.99562	1.7
161.02921	7.9
161.04169	1.5
161.05888	1.3
161.09618	2.3
161.13165	2.6
168.06557	6.7
173.02988	3.0
175.04178	1.3
175.05963	1.2
175.07501	3.8
175.14810	1.6
176.99081	1.2
177.00676	3.2
178.04958	2.0
183.05048	1.3
185.02950	1.7
185.06119	2.2
185.09641	1.7
185.13062	1.6
186.07587	2.6
186.12257	1.4
194.06990	6.4
197.99130	1.5
203.03622	2.6
203.05229	7.0
203.07170	7.7
203.10703	4.4
203.14207	7.6
203.17931	9.5
204.08646	17.4
204.13812	2.7
206.04414	2.3
212.08116	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1391
Annotation	H-ILE-ALA-OH
Peak:m/z	Relative Intensity
51.77259	0.2
53.03929	0.4
55.01873	0.4
55.05501	1.1
56.05024	0.9
56.96560	4.4
57.03438	1.0
58.06608	0.2
60.04521	1.9
60.95834	0.3
61.02919	1.0
67.05496	0.6
68.05024	1.8
69.03433	1.5
69.07061	2.1
70.06583	0.7
70.44947	0.2
71.04977	0.4
71.29138	0.6
71.95263	0.4
72.04513	0.6
72.08143	1.6
73.02902	1.6
73.06539	0.4
74.06069	0.3
77.00914	0.6
79.05487	0.3
81.03412	1.1
81.07050	1.5
82.06566	0.3
84.04496	1.6
84.08134	1.5
84.96030	0.3
85.02895	2.5
86.09698	100.0
87.10005	0.5
90.05547	0.7
91.05489	1.1
93.07057	0.7
95.04974	0.3
95.08609	1.8
96.04491	2.8
96.15954	0.2
97.02883	4.9
98.06074	0.4
98.97568	2.6
99.04433	0.6
100.02502	0.7
100.03941	0.2
101.00857	2.8
102.02405	0.6
102.96878	0.5
103.00645	0.3
105.07021	2.8
107.08601	1.2
109.02914	0.5
109.10157	1.3
110.06049	0.8
110.07134	0.3
111.04473	0.2
112.07610	0.9
112.11179	0.3
112.99093	0.2
113.00838	0.2
114.05501	2.6
115.02421	0.3
116.98612	2.2
118.03523	0.8
119.01910	12.0
119.08564	2.3
120.02039	0.9
120.96507	0.3
120.97905	0.6
121.01643	1.8
121.02353	0.2
121.03475	0.3
121.10128	0.8
123.02933	0.3
126.05513	2.0
127.03899	0.7
128.02313	0.2
128.98619	0.4
129.07019	0.3
129.10213	0.4
130.06517	4.0
130.08577	1.1
131.01884	1.4
132.03459	0.2
132.10161	0.4
133.01645	0.3
133.03458	0.5
133.10129	1.3
134.01215	0.3
134.99648	2.1
135.03142	0.4
137.02946	4.6
138.03169	0.5
138.05489	0.4
138.98955	0.6
139.02699	1.7
141.02927	0.3
142.03513	0.6
143.01889	2.7
143.03566	0.5
144.03331	0.3
144.06578	0.3
145.03465	0.8
145.10190	0.3
146.99637	0.3
147.11687	2.8
149.01155	0.5
149.02954	0.5
150.00722	0.3
153.00749	0.5
153.04184	0.4
155.01894	0.6
155.04637	0.7
156.06583	0.5
156.97472	0.3
156.99953	0.2
157.03464	1.6
157.07599	8.2
157.13300	0.3
158.99574	0.3
159.05043	0.4
160.04562	0.4
161.02943	10.2
161.13269	0.7
162.03123	0.5
162.04346	0.7
164.05125	0.3
165.00644	0.3
167.02097	0.2
168.06580	0.9
170.39339	0.2
173.02969	1.8
174.98531	0.7
175.02800	0.4
175.04546	0.8
175.07565	0.4
175.14845	0.4
176.04089	0.3
177.00743	0.9
179.04031	1.2
179.05411	0.3
179.99054	0.7
180.05241	0.8
184.04625	0.3
185.01436	0.3
185.02904	1.2
185.07147	0.4
186.07562	0.5
191.03969	0.3
193.03859	0.3
197.03204	0.3
198.00203	0.6
198.02478	0.2
202.05594	0.3
203.00653	0.4
203.02289	0.4
203.03583	1.0
203.05310	1.3
203.08151	3.8
203.10780	0.7
203.13875	1.9
203.17935	3.0
204.06775	0.3
204.08598	1.6
217.74312	0.2
221.03281	0.5
221.05093	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.0524
Annotation	Unknow
Peak:m/z	Relative Intensity
51.41675	0.8
55.01852	1.9
56.42841	0.9
56.72940	0.8
57.03440	5.0
58.78749	0.8
60.47585	0.9
61.02906	2.6
66.91541	0.9
68.05016	2.1
69.03419	5.3
70.06585	1.6
70.13880	2.8
70.99840	1.0
73.02905	9.9
73.81072	0.8
77.00918	1.0
81.03412	2.0
82.99853	1.8
84.04498	2.5
85.02884	6.5
89.00892	1.2
93.01880	0.8
96.04517	4.0
97.02879	10.5
97.68765	0.8
98.06042	1.1
98.21361	1.3
99.04414	0.9
100.02646	1.4
101.00871	17.7
102.02398	1.5
110.01389	5.5
110.51413	0.8
111.02940	1.3
113.00861	2.0
114.05519	1.8
115.02460	1.4
115.03954	0.8
116.01441	1.0
116.07043	1.1
117.02959	1.4
119.01909	49.1
119.51925	1.4
121.03469	0.9
122.01417	1.3
123.02958	1.1
125.01895	1.9
126.05499	3.5
127.02430	0.9
127.03899	2.6
128.01360	1.5
129.02859	1.9
131.01897	17.4
131.51981	3.0
132.03467	1.6
133.03476	1.2
137.01889	9.5
137.02950	4.7
137.51958	2.6
138.03416	2.1
138.05493	1.0
142.03406	1.0
143.01880	21.0
145.03421	4.4
146.02408	1.5
147.03926	1.5
149.01816	1.3
149.02916	2.2
152.02399	1.2
153.03949	0.9
155.01888	6.9
157.03458	3.9
161.02946	49.7
162.03160	1.2
163.04526	1.2
164.60185	0.8
167.01891	1.5
170.52052	0.8
173.02954	13.1
175.04482	1.3
179.03973	1.4
183.05000	1.1
184.04527	0.9
185.02898	7.5
187.04605	0.9
188.54399	0.9
191.04012	1.2
197.02905	1.1
203.05272	100.0
204.05704	1.3
204.08644	2.0
215.04005	1.2
221.05081	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	203.1064
Annotation	Ligujapone
Peak:m/z	Relative Intensity
51.02377	0.5
53.03942	1.4
55.01870	5.0
55.05508	3.1
56.22215	0.4
56.96560	3.8
57.03415	1.1
57.07069	0.7
57.24509	0.5
60.04522	6.9
61.02909	1.2
65.03926	0.9
67.05498	4.2
68.05024	5.0
69.03417	4.4
69.07053	2.7
71.05018	0.7
71.52583	0.8
72.04507	0.7
74.97590	0.6
77.03969	0.4
79.05476	6.3
81.03409	1.3
81.07052	12.9
83.01359	0.6
83.04966	3.4
83.08637	0.5
84.04494	6.4
85.02897	2.4
86.09705	1.0
86.52023	0.5
91.05471	15.1
93.07034	6.0
95.01314	2.0
95.04953	2.2
95.08598	6.5
96.04487	7.1
97.02293	0.7
97.02884	9.0
98.06065	0.9
99.04429	0.9
103.05451	1.9
105.07018	31.8
107.04949	12.5
107.08586	6.3
109.02872	1.0
109.06506	6.6
109.10137	3.5
110.06020	1.9
114.05511	6.2
115.04037	0.9
115.05444	6.4
116.06210	1.7
117.07013	9.1
119.04932	1.3
119.08569	28.9
120.08070	0.8
121.02845	1.1
121.06486	4.1
121.10127	3.4
126.05494	9.3
127.03945	0.8
128.06209	6.4
129.06996	14.3
130.07788	1.0
131.04884	1.7
131.08551	10.2
132.05681	1.2
132.09312	1.7
133.06470	11.4
133.10118	28.2
134.43350	0.5
135.04395	0.8
135.08055	2.2
135.11673	0.7
138.05457	1.6
140.53438	1.3
141.06953	4.3
142.07761	25.8
143.04883	0.8
143.08549	8.5
144.05606	0.9
144.06625	0.7
144.07608	0.7
144.09337	13.6
145.04860	0.7
145.06476	10.1
145.10106	6.9
146.07234	2.1
147.04398	2.5
147.08041	6.3
147.11670	25.7
148.04684	1.1
149.53946	1.4
155.08514	0.8
156.06570	1.0
157.05144	6.7
157.06496	1.7
157.10110	89.2
157.55316	1.1
158.07173	0.5
158.10559	2.1
159.08070	3.8
159.11673	17.7
160.05168	2.2
160.07689	0.7
160.08812	17.8
161.05962	9.7
161.07954	3.7
161.09583	16.9
161.13283	2.4
167.08575	0.7
168.06517	1.0
169.06284	0.6
170.07239	1.9
170.10880	1.0
171.06479	0.8
171.08003	2.9
173.06020	2.3
173.09593	2.0
174.06729	3.2
175.07668	7.6
175.11162	100.0
176.11487	2.2
185.09564	9.5
185.13210	1.3
186.07520	0.6
188.04657	1.2
188.08308	22.2
203.07051	5.5
203.10645	58.8
203.14127	5.6
203.17923	9.0
204.07014	0.6
204.08626	5.9
204.10756	1.1
204.13847	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	202.056
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96558	3.6
69.96334	7.3
70.71712	1.5
72.22400	1.8
77.74739	1.6
82.01434	27.3
98.97560	7.1
100.02473	100.0
101.00875	10.9
104.40316	1.5
116.98600	5.8
118.03510	60.9
119.01913	54.5
119.02660	1.2
120.02055	2.7
122.92938	1.8
134.99696	5.0
137.02946	27.6
138.03027	2.1
142.03477	24.3
143.03596	2.5
148.48506	2.4
149.49406	1.7
153.97090	2.7
154.98662	2.6
157.48981	5.6
160.04568	14.1
161.02951	8.4
161.04439	2.7
166.99387	2.1
168.99782	2.2
173.74535	1.9
177.00972	5.3
178.00995	5.9
178.05605	2.7
179.00731	3.1
179.04042	14.4
179.98044	22.5
179.99310	1.8
184.04533	2.1
187.99275	3.6
193.94838	3.7
194.96602	4.6
197.46945	4.4
197.99158	92.0
199.50006	8.9
200.00000	2.2
202.05669	2.6
202.95369	3.3
203.95374	2.4
205.45645	2.3
206.45668	2.3
208.97697	4.4
214.95648	5.5
220.02008	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	200.0916
Annotation	L-Anticapsin
Peak:m/z	Relative Intensity
53.03941	2.6
55.01881	5.7
55.05503	1.8
56.05019	4.7
56.96301	1.5
56.96564	27.0
57.03419	4.7
57.07055	1.5
58.06578	1.6
60.04507	1.2
61.02901	5.0
61.07631	1.2
66.01231	1.0
67.05506	6.0
68.05002	2.9
69.03423	11.2
69.07063	5.5
70.06576	4.7
71.06927	1.3
71.15722	1.8
71.95245	1.5
72.04516	1.2
72.08132	1.4
73.02905	12.8
74.06072	1.1
74.09717	2.1
79.05482	3.1
80.04987	3.4
81.03400	3.8
81.07051	6.3
82.06559	4.4
83.06088	2.2
83.08562	1.3
84.04496	5.8
84.08121	4.1
84.96024	1.8
85.02433	1.5
85.02900	15.2
86.09676	2.8
88.07622	1.7
91.05486	8.5
93.05779	3.8
93.07043	8.2
94.06561	20.9
95.04922	5.7
96.04466	1.4
96.08128	3.9
97.02892	10.1
97.06506	2.9
97.07648	2.0
98.97578	45.2
99.05538	1.2
102.05540	1.5
103.03920	1.5
104.01267	4.5
106.06535	1.4
107.04922	4.4
108.04478	2.1
108.08114	24.2
109.06480	4.3
110.01266	6.3
110.06036	18.3
110.97529	5.3
111.04430	2.0
112.03938	3.3
112.07598	8.4
113.01843	1.5
113.06044	1.5
116.01250	2.5
116.97308	1.7
116.98617	43.8
117.01989	1.3
118.06522	4.0
118.96767	3.1
119.01812	13.7
119.04932	1.9
120.08082	2.3
121.06477	1.8
122.06017	65.8
123.04384	2.3
123.06847	6.8
124.07614	8.0
125.01756	3.4
125.07101	1.5
126.07398	1.3
126.09162	5.9
127.03889	6.2
128.02296	5.9
128.98607	8.3
131.01746	4.4
134.01314	1.7
134.02289	3.7
134.06061	1.5
134.99651	42.6
136.07567	68.6
137.01770	2.9
137.02838	1.8
137.05952	4.3
137.08290	2.5
138.09111	4.9
139.07515	2.9
140.00171	2.0
140.02306	3.0
140.07057	68.4
144.28017	1.1
146.02255	5.3
146.99632	10.3
147.03073	1.5
149.02791	2.1
152.02303	4.0
152.07047	2.1
153.00687	12.9
154.04950	1.4
154.08621	45.3
155.02806	7.9
155.06953	1.4
155.11781	1.3
158.01245	4.1
158.99620	7.1
161.01199	3.6
161.02809	5.0
164.03320	1.4
164.07065	23.8
165.00645	2.8
165.05475	1.6
170.03302	4.1
170.08138	1.5
170.99590	2.8
176.02324	2.8
176.04001	2.1
176.98363	1.7
177.00641	9.8
177.01938	1.6
177.98065	2.6
182.03357	2.2
182.08118	100.0
182.09875	5.7
189.00702	8.2
191.03867	3.4
195.01718	2.4
195.04950	1.6
200.07451	2.0
200.09140	44.5
200.10965	3.1
200.12784	1.6
200.19162	4.5
201.00677	4.9
207.01671	1.3
219.01797	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	200.0231
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.8
55.01873	3.4
56.05028	2.6
56.96558	33.3
57.03419	3.6
61.02918	3.7
63.99099	2.0
69.03423	4.3
70.06578	2.9
70.96479	4.7
70.96815	1.8
71.87984	2.3
72.08134	2.1
73.02918	11.8
75.94156	1.7
80.13749	1.9
81.03418	2.3
84.01183	2.1
84.04503	5.9
84.08114	2.3
85.02908	5.1
86.05791	1.8
86.09681	4.3
97.02879	9.0
98.01295	2.5
98.97580	100.0
99.04430	2.7
100.02486	4.0
101.00854	5.4
102.02227	2.9
105.02194	3.7
110.01274	5.3
110.97576	4.8
116.00223	2.7
116.98611	73.2
117.98988	1.7
118.03522	7.3
119.01894	29.5
119.03595	2.6
120.01978	3.8
123.03312	1.9
125.01851	2.3
125.48761	1.8
127.00888	1.8
127.01955	1.7
127.03935	3.2
128.02319	3.5
128.98607	7.6
131.01889	19.9
134.99649	39.9
135.03146	2.5
137.02968	7.5
142.03432	2.6
146.02344	4.0
146.99664	4.0
149.02960	8.0
152.02315	2.7
153.00708	5.5
154.03497	8.7
155.02779	3.5
158.02968	4.4
158.99718	5.4
161.02844	4.5
164.03445	1.8
170.03323	5.2
171.23927	2.3
172.02985	2.9
172.04559	8.3
173.02986	2.6
176.04088	4.3
177.00760	8.3
177.02332	3.4
182.04495	6.4
189.00755	3.6
190.05574	3.3
191.03981	2.2
195.01770	3.4
199.18912	3.4
200.04115	8.8
201.00761	3.7
201.02461	3.4
218.05164	7.5
219.01700	4.1
219.03545	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	198.0247
Annotation	Unknow
Peak:m/z	Relative Intensity
50.90417	1.5
55.01861	3.6
55.05490	5.3
56.96567	3.5
57.03415	4.5
57.07059	3.5
58.99857	5.2
60.50257	1.6
61.02921	9.3
69.03429	20.8
69.07056	5.3
70.43176	1.7
70.46242	5.6
70.99815	1.6
73.02917	9.9
73.50128	1.4
77.00874	1.9
82.01434	13.4
83.04971	2.0
83.08594	4.4
85.01385	12.3
85.02890	18.4
86.06049	1.8
88.02680	4.4
93.01888	2.4
95.01349	2.3
95.06087	2.3
96.02402	2.5
97.02869	8.0
97.10129	2.0
98.97556	5.1
100.02469	66.1
101.00867	6.3
101.02509	2.7
102.02384	6.7
103.02435	49.0
110.99303	2.0
111.02927	6.6
113.00851	4.5
113.02348	14.5
114.02332	2.1
115.02439	3.3
118.03503	53.5
119.01903	21.5
120.02087	3.5
120.03417	7.4
120.53532	2.4
121.03470	39.6
126.03999	5.8
127.03886	4.0
129.00320	5.4
129.02866	1.8
131.01880	30.3
133.03465	4.3
137.02930	5.0
138.03342	2.6
141.05093	2.1
143.01891	6.8
144.05046	15.2
145.02417	2.4
145.03447	4.2
147.01357	29.7
147.03922	3.5
149.02946	12.7
152.01898	7.0
154.03546	9.7
155.01889	4.0
157.03433	4.1
161.02875	12.5
162.02892	1.6
163.04478	1.6
165.02406	4.5
168.02643	2.6
170.02972	76.8
172.04533	7.3
173.02936	16.6
175.00937	2.0
175.02698	3.2
175.04530	1.9
179.03943	2.1
184.04605	2.1
185.02890	7.7
188.04048	2.3
189.02386	3.4
191.03905	1.9
193.00006	2.0
193.01968	1.8
193.04507	2.1
198.18513	100.0
203.00578	1.9
203.03984	4.0
215.00357	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	199.1327
Annotation	(-)-Hydroxydihydrobovolide
Peak:m/z	Relative Intensity
55.05507	25.2
55.81225	1.2
57.07072	12.0
57.93569	2.1
67.05486	5.4
69.03410	1.2
69.07039	3.1
69.88048	7.0
70.64902	1.3
74.09718	8.6
79.05477	4.9
81.07030	5.3
83.04956	12.0
83.08630	1.6
85.06531	4.4
91.05453	4.2
93.07030	10.2
95.08604	10.9
97.06544	7.3
98.97532	2.5
100.07640	1.6
105.07055	6.5
105.35867	1.4
107.08583	17.4
109.06518	4.4
109.10151	5.0
111.04433	100.0
111.08060	3.8
112.04812	2.0
113.06016	3.1
116.97202	11.7
117.07037	1.4
119.08663	1.4
121.06487	3.3
121.10124	1.9
125.05978	29.9
127.07561	3.8
130.07774	3.2
131.99510	2.1
132.96458	1.4
135.08040	16.4
135.11681	19.5
137.13251	1.8
139.07530	4.7
140.04698	1.6
143.08632	1.4
145.10109	15.5
152.96967	2.3
153.12733	4.3
163.11185	20.3
175.98537	7.3
181.12207	25.6
199.00110	1.3
199.18875	37.4
215.24696	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	198.0246
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	3.6
55.05497	5.8
56.96551	5.7
57.03425	5.3
57.07076	2.2
58.99852	6.6
61.02909	6.0
63.76565	1.6
68.99761	1.4
69.03426	14.8
69.07048	4.5
71.40213	2.9
73.02912	10.9
73.81365	1.5
77.00904	4.7
81.03388	1.7
82.01435	20.4
83.08606	3.2
85.01394	15.0
85.02895	8.7
86.06044	1.5
88.02695	2.2
90.89995	1.3
93.01884	1.7
95.01324	3.5
95.01883	1.5
95.06061	2.5
97.02883	5.0
97.10146	2.9
98.97558	3.1
100.02473	92.1
101.00871	6.0
101.02510	2.0
102.02370	3.8
103.02435	70.2
106.02735	1.4
108.02409	1.8
111.02917	3.6
113.00874	7.4
113.02335	10.3
115.02402	2.3
117.02864	1.4
118.03512	72.1
119.01906	16.2
119.03648	1.9
119.98100	1.7
120.01981	2.5
120.03426	6.1
121.03468	52.0
121.04348	3.0
123.04031	2.8
126.04047	11.5
127.03922	1.9
128.02245	2.3
128.98616	1.5
129.00317	5.4
129.03889	3.1
131.01895	36.3
133.03404	3.6
137.02907	4.5
141.04976	2.4
143.01895	5.8
144.05045	23.7
145.02443	2.0
145.03445	3.7
147.01370	40.6
147.03940	4.3
149.02937	16.6
149.04724	1.8
152.01952	6.7
154.03456	15.9
155.01903	3.5
157.03473	3.6
161.02907	9.2
165.02454	5.3
167.03777	1.8
170.02975	100.0
171.02943	1.7
172.04520	8.3
173.02953	11.1
175.00970	2.4
175.02594	2.5
177.02550	1.9
184.04501	2.4
185.02905	4.7
186.03131	1.7
187.00790	2.2
188.04070	2.7
189.02466	2.2
193.01987	3.2
198.18512	89.2
203.03993	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	197.1172
Annotation	Kobifuranone A
Peak:m/z	Relative Intensity
51.02368	1.1
53.03946	5.7
55.01869	1.5
55.05511	2.1
57.03428	2.3
59.04990	2.0
65.03932	0.8
67.05500	3.0
69.03419	1.4
69.07050	1.4
69.96989	2.0
69.97388	1.8
70.95849	1.9
71.04993	1.4
72.93784	1.1
73.69124	0.7
77.03925	1.1
78.14321	0.6
79.05484	7.5
81.03421	1.1
81.07050	5.2
91.05470	13.4
93.07037	17.5
93.07616	1.0
95.04379	0.8
95.04968	15.0
95.08601	2.5
99.04432	1.8
102.86070	0.6
104.69418	0.7
105.03384	100.0
105.04524	2.7
105.07027	20.1
105.07623	0.5
106.03709	1.9
107.04890	1.1
107.08582	46.9
108.08893	1.0
109.06516	4.2
109.10162	5.2
111.08105	0.9
111.76939	0.6
111.98473	1.7
113.05933	0.8
113.08253	0.8
117.06973	1.4
119.04925	2.0
119.06051	1.1
119.08579	6.0
121.06505	4.1
121.10233	0.9
123.04416	6.6
123.08070	1.1
123.11700	2.2
125.05971	1.3
129.99532	0.9
131.08553	2.4
132.95824	2.1
133.10121	49.9
135.08040	1.3
135.11682	36.4
136.12061	0.8
137.05934	3.5
137.09558	3.3
146.07265	1.0
150.96864	5.0
151.11154	3.8
152.63084	0.7
155.97409	1.9
161.09607	24.7
161.10939	1.3
169.08586	0.9
173.98476	3.4
179.07092	2.6
179.10660	68.2
180.11023	1.0
196.99915	0.7
197.11717	45.1
198.11937	1.0
198.18526	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.1171
Annotation	Kobifuranone A
Peak:m/z	Relative Intensity
51.02385	1.1
51.54203	1.1
53.03950	16.3
55.01860	4.5
55.05506	11.8
55.48652	1.2
57.03413	3.2
57.07070	32.4
58.43823	1.1
59.04974	1.5
63.13742	1.0
65.03916	2.3
67.05505	17.1
69.03417	5.1
69.07073	6.2
69.41091	9.4
70.95860	8.1
71.04984	5.5
72.93787	5.9
73.02898	1.2
77.41383	1.3
78.96664	1.0
79.05490	16.8
81.03413	26.3
81.07051	42.9
83.04965	3.2
83.08598	2.9
85.06543	14.4
88.96898	2.3
91.05474	18.6
93.07039	13.9
95.04967	18.4
95.08604	13.3
97.02876	2.9
97.06514	10.0
97.10160	1.3
99.04432	1.4
105.03369	1.5
105.07024	23.4
107.04990	1.9
107.08581	16.1
108.05724	2.5
108.95798	1.3
109.06508	19.7
109.10143	10.1
111.04421	2.2
111.08069	3.5
111.98482	8.7
113.05960	3.1
113.08241	3.7
119.04977	1.8
119.08579	4.3
121.06446	2.0
121.10121	1.9
123.04428	5.2
123.08016	4.3
123.11704	7.8
125.05990	14.9
128.06201	2.2
129.99493	6.8
131.08559	2.8
132.95811	11.5
133.02788	1.4
133.10123	28.8
135.11678	8.7
137.05966	11.2
137.09596	3.1
138.06721	4.8
139.03885	2.2
139.07527	2.8
139.11124	1.9
141.05455	40.3
143.08530	4.1
146.07225	2.6
150.96873	26.5
151.03857	3.2
151.07555	2.6
151.11168	27.9
154.06218	6.0
155.08429	2.7
155.97437	8.8
161.09596	10.1
164.94476	1.0
165.05437	2.0
167.08510	1.9
168.98050	1.5
169.08583	5.0
169.10010	2.5
173.98474	18.0
179.10658	63.8
179.17853	1.4
182.05673	1.8
182.10899	2.8
189.65222	1.1
197.06024	2.6
197.08006	5.7
197.11714	100.0
197.13223	6.7
198.18504	9.9
206.04083	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.1171
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	3.1
55.01841	1.6
55.05505	33.8
57.07052	1.7
59.04986	3.7
65.03916	1.3
65.63988	1.0
67.05506	8.2
69.03407	2.6
69.07053	5.4
69.88428	6.1
70.95860	8.7
71.04980	2.5
72.93774	4.5
79.05103	1.2
79.05489	9.9
81.07055	9.7
82.07375	1.1
83.04971	21.1
84.08133	1.6
85.02880	1.6
85.06500	1.2
88.96844	1.6
89.03871	1.2
90.94791	1.8
91.05473	24.8
93.07033	27.3
95.04961	13.2
95.08578	4.4
97.06522	4.9
98.21499	1.5
99.04463	1.9
105.03369	5.5
105.07026	36.4
107.08581	79.3
108.08902	1.6
109.06518	8.1
109.10149	10.3
111.04455	1.4
111.98445	6.4
113.08254	6.5
114.06573	1.4
117.06978	1.7
119.04932	3.3
119.06110	1.7
119.08565	10.7
121.06516	5.9
123.04426	5.6
123.08059	2.6
123.11710	4.1
125.05987	2.2
128.06163	1.3
129.99525	5.7
131.08582	4.2
132.95819	9.7
133.06511	1.4
133.10118	78.2
135.04309	1.2
135.11673	54.2
137.05949	5.3
137.08208	1.4
137.08580	1.3
137.09602	10.3
138.06686	3.2
139.07556	1.3
145.02867	1.6
146.07248	1.4
147.03416	1.4
150.96883	18.5
151.03912	4.6
151.07591	1.3
151.11159	7.8
155.09241	3.8
155.97443	4.8
161.09607	35.6
169.08589	3.3
173.98466	13.5
179.10652	100.0
180.11029	2.6
182.48097	1.2
197.00003	1.3
197.08035	2.7
197.11722	75.7
198.18497	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	197.117
Annotation	Kobifuranone A
Peak:m/z	Relative Intensity
53.03925	4.5
55.01852	7.4
55.05270	1.5
55.05509	18.6
57.03421	2.2
57.07052	3.0
59.04994	2.9
67.05497	9.9
68.99767	1.2
69.03413	4.2
69.07056	2.8
69.77911	7.8
70.95856	11.3
71.01330	2.0
71.04988	3.1
71.19387	1.2
72.08146	1.4
72.52084	1.6
72.93788	6.1
73.02912	1.4
79.05480	14.0
81.07047	22.9
83.04964	3.7
83.08604	1.4
84.04470	2.0
85.06474	1.4
88.96903	2.2
91.05470	24.9
93.06481	2.3
93.07031	29.9
94.85764	1.1
95.04960	11.0
95.08607	7.7
96.05617	1.5
97.06512	10.2
99.04450	9.7
105.03394	13.6
105.07018	35.6
107.04942	1.3
107.08580	87.1
108.08902	1.2
109.06501	18.0
109.10136	12.7
111.04401	4.5
111.08086	1.5
111.98443	6.7
113.05979	1.6
113.08224	5.0
113.96354	1.4
115.05421	1.6
117.03307	1.3
119.04929	2.8
119.06058	2.3
119.08571	14.0
121.06494	9.0
121.10144	2.7
123.04443	6.9
123.08038	2.9
123.11700	4.5
125.05980	69.0
126.48560	1.1
127.03908	22.9
128.06189	2.6
129.99492	5.7
131.08571	3.2
132.95824	13.9
133.10115	83.7
134.10495	1.8
135.08018	1.7
135.11684	46.9
135.12720	2.6
137.05965	86.0
137.09604	13.1
138.06682	5.1
139.03870	2.1
139.07526	2.6
143.08580	7.5
146.07253	2.0
147.03368	1.2
149.09625	1.5
150.96866	31.8
151.03868	3.7
151.07553	2.0
151.11176	10.6
154.06213	3.7
155.09300	6.0
155.97397	10.1
161.09601	44.3
162.09911	1.5
167.10625	2.4
168.97932	2.2
169.08597	4.7
173.98463	17.4
179.09279	4.4
179.10649	100.0
180.10979	2.2
197.00114	2.2
197.08069	4.4
197.11714	71.4
198.18497	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	197.0807
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02368	0.9
53.03942	5.1
55.01864	0.7
55.05510	2.1
55.05726	0.3
56.05017	0.5
57.03441	1.8
57.07065	1.1
59.06108	0.6
61.64399	0.4
67.05487	1.7
68.99792	0.4
69.03430	1.2
69.07060	1.1
70.95866	4.1
71.05001	1.4
71.06144	0.4
71.07752	1.0
72.93775	2.5
72.96697	0.3
77.03915	0.8
79.05483	5.7
81.03404	1.1
81.07060	3.7
83.04967	1.4
85.06536	0.5
88.96902	1.0
91.05479	3.8
93.07043	3.6
95.04960	10.1
95.08608	2.0
96.05694	0.4
97.06506	1.2
105.03384	100.0
105.07008	4.0
106.03728	1.6
107.04951	0.5
107.08588	9.7
109.06503	2.9
109.10149	2.0
111.04442	1.2
111.08055	0.8
111.98454	3.5
113.06006	1.0
113.08223	3.6
113.96420	0.4
119.04939	0.7
119.08547	2.0
121.06501	0.8
121.10168	0.5
123.04433	4.5
123.08064	0.9
123.11713	0.4
125.06035	1.0
127.03914	0.5
129.99490	3.0
131.97498	0.4
132.95807	4.5
133.02861	0.7
133.10101	7.8
135.11696	4.7
137.05980	4.5
137.08226	1.5
137.09576	1.8
138.06720	2.2
139.03868	1.1
141.05452	0.8
141.06927	0.6
147.04424	0.5
150.96884	14.5
151.03906	1.7
151.07533	1.5
151.11101	1.8
154.06245	1.8
154.07642	0.5
155.09355	0.9
155.97432	3.2
161.09602	3.7
165.05501	0.9
167.07005	0.5
168.97906	0.6
169.08609	2.3
169.10118	1.1
173.98492	8.6
179.07059	3.5
179.09166	0.8
179.10655	8.1
182.05779	0.6
182.10957	0.6
197.00099	0.6
197.04395	0.5
197.08208	2.4
197.09868	0.8
197.11737	6.7
197.13289	1.4
198.18512	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	197.0807
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02374	1.0
51.68349	0.7
53.00266	0.8
53.03940	5.3
55.05508	1.5
56.96543	1.2
57.03421	2.4
62.32771	0.8
67.05494	2.0
70.95854	2.4
71.12970	1.2
71.13294	1.0
72.93775	2.0
79.05492	6.3
81.07047	1.6
83.04996	2.2
91.05479	2.3
93.07034	2.8
95.04950	9.1
95.08572	1.0
105.03381	100.0
105.04519	3.5
105.07011	3.5
106.03709	1.7
107.04938	0.9
107.08575	7.5
109.02879	1.1
109.06503	1.1
110.94962	0.9
111.98452	1.8
113.08253	3.6
119.08538	0.9
121.06419	0.7
123.04411	6.6
124.12834	0.7
124.44650	0.8
129.99510	1.9
131.97533	0.9
132.95840	3.6
133.02850	2.3
133.10126	6.8
135.11658	4.7
136.86269	0.9
137.05966	1.8
137.08253	1.1
137.09583	1.0
138.06703	2.1
145.02910	1.3
147.04408	0.9
150.96870	8.8
151.03891	1.7
154.06186	1.4
155.09285	1.6
155.97391	3.0
156.07501	0.8
161.09648	2.8
169.08583	1.8
173.98485	6.3
177.05414	1.0
179.03336	1.8
179.07054	2.8
179.09262	1.4
179.10661	8.1
197.10187	1.4
197.11745	5.8
198.18561	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.1377
Annotation	Lyratyl acetate
Peak:m/z	Relative Intensity
53.03936	5.5
55.01863	5.5
55.05499	15.2
56.36887	2.7
56.96562	12.5
57.03417	6.8
57.07059	5.4
62.03131	2.7
65.03938	3.9
66.04718	3.9
67.05496	59.5
68.96293	3.1
69.03419	6.3
69.07068	16.1
69.96149	2.7
70.06574	4.8
71.04964	8.1
71.52501	2.8
71.52860	3.8
72.26293	2.3
79.05488	45.6
80.05833	2.7
81.03407	11.0
81.07047	100.0
81.07529	4.8
83.04952	15.3
83.07427	2.5
83.08607	8.3
85.02883	3.4
85.06512	4.0
89.03896	8.3
89.05987	3.4
91.05463	28.8
93.07031	64.0
94.04131	2.4
95.04948	15.8
95.08598	43.1
97.06508	13.6
99.08076	4.0
100.02511	2.8
100.91817	2.5
103.05456	8.0
105.07018	23.9
107.04945	15.2
107.08577	28.0
109.06497	8.1
109.10131	4.6
111.08064	6.7
117.03367	20.1
117.07009	9.9
118.03541	2.9
118.92126	2.5
119.08588	4.8
121.02855	3.5
121.06493	20.5
121.10079	13.0
123.04385	3.6
123.11706	2.4
124.05160	4.1
130.96274	3.4
131.04904	6.2
131.08530	14.1
131.96172	6.7
133.06479	3.0
133.10117	15.6
134.03638	3.7
134.05963	2.7
135.04401	10.9
135.08037	24.1
135.11659	37.5
137.02316	4.8
137.05981	4.5
139.07530	7.9
145.02817	25.6
146.07242	3.5
148.97308	6.2
149.05965	16.4
149.09625	9.5
149.13240	14.7
149.96123	2.5
149.97168	15.8
151.03932	13.6
151.11183	4.1
152.04677	9.6
152.06265	2.9
153.05498	4.3
153.09105	6.9
155.07069	4.4
159.11661	17.1
163.03891	12.8
163.07518	9.6
165.06888	3.6
167.08664	3.2
167.98212	4.0
172.98825	8.2
177.05460	38.6
177.09142	5.2
177.12714	12.4
180.09520	2.7
195.02919	6.2
195.06529	84.3
195.08138	6.4
195.10179	7.0
195.11842	4.7
195.13789	17.6
195.15573	5.7
196.16916	3.7
198.05275	9.5
199.33481	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	195.1378
Annotation	Lyratyl acetate
Peak:m/z	Relative Intensity
53.03931	3.2
55.01851	1.3
55.05509	5.4
57.03411	1.3
57.07049	2.2
57.94949	1.2
59.04980	1.7
65.03921	1.7
67.05492	6.8
67.98346	1.1
69.03409	1.8
69.07060	5.3
71.04969	1.4
71.52374	1.7
71.52737	1.6
73.06541	1.4
75.80283	1.5
76.97240	1.1
77.03905	1.1
79.05476	16.0
81.03403	1.4
81.07052	14.5
83.04966	1.9
83.08595	1.5
83.80396	1.5
85.06497	1.4
89.03898	3.4
89.06024	3.8
91.05466	16.1
93.07033	41.4
94.04170	1.4
95.04972	10.1
95.08588	10.1
96.05700	1.5
97.06512	2.4
99.08111	1.2
103.05441	2.7
105.04507	2.0
105.07012	9.9
107.04935	5.2
107.08578	34.5
107.38522	1.1
109.02880	1.3
109.06500	13.4
109.10126	2.8
111.08079	6.9
117.03364	4.6
117.06982	2.4
119.08588	6.4
121.02834	1.8
121.06487	9.1
121.10133	5.5
122.03586	1.4
123.04427	3.0
124.05198	1.6
125.05906	1.7
125.09624	2.4
125.43742	1.1
127.07439	1.1
130.07735	2.3
131.04933	2.1
133.10085	1.6
135.04369	4.1
135.08043	13.5
135.11682	37.4
137.05984	9.5
137.39900	1.0
138.06714	1.3
139.07518	24.0
145.02856	9.7
145.10120	10.4
147.73914	1.1
149.05991	5.9
149.09631	2.1
149.13309	1.4
149.97165	7.5
151.03870	5.1
152.04675	4.6
152.08278	7.5
152.11940	3.4
153.09108	2.1
163.03899	4.5
163.07503	3.2
163.11166	16.2
164.19839	1.5
165.06911	1.5
167.07039	2.9
167.14261	5.6
169.12614	1.5
172.98834	2.4
177.05438	12.4
177.09044	2.3
177.12740	2.2
177.16417	1.8
180.09389	2.0
183.02902	1.6
186.05554	1.7
186.18156	1.2
195.02843	2.9
195.06522	33.2
195.08069	2.0
195.10139	3.6
195.13791	100.0
196.14223	1.6
196.16879	2.1
198.05159	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.1379
Annotation	Lyratyl acetate
Peak:m/z	Relative Intensity
52.67230	0.7
53.03938	5.1
55.01875	5.0
55.05505	19.1
56.96553	1.3
57.03423	4.8
57.07058	3.1
61.94488	0.8
65.03912	2.6
67.05499	63.1
68.99773	1.7
69.03410	2.5
69.07063	17.6
69.76826	2.0
69.77237	4.1
70.94244	0.7
71.01338	2.7
71.04984	4.9
72.54224	0.7
73.02930	1.1
77.03928	1.0
79.05005	1.6
79.05485	44.0
81.03415	16.0
81.07048	100.0
82.07369	1.8
83.04972	12.8
83.08611	10.9
84.08140	1.1
85.02874	2.0
85.06540	5.1
86.23692	0.8
87.02242	0.8
89.03907	3.5
89.06028	1.0
91.05473	45.2
92.05797	1.1
93.07037	63.5
95.04966	11.5
95.08597	35.8
97.06528	12.8
98.21427	1.3
99.04453	1.0
99.08076	1.8
99.29684	0.9
103.05439	3.1
105.07021	18.0
105.31754	0.8
107.04948	7.9
107.08584	29.9
109.06496	4.8
109.10144	3.8
109.98843	0.9
111.04450	1.7
111.08066	6.4
113.09650	1.7
115.05457	1.4
117.03376	4.3
117.07008	13.6
119.08516	3.9
121.06503	10.7
121.10130	10.5
122.03596	1.0
123.04404	2.1
123.08054	1.8
123.11687	2.7
124.05193	1.3
125.09592	1.9
129.06981	0.9
131.04840	1.2
131.08549	14.3
133.02838	1.0
133.06476	2.4
133.10114	25.7
135.04425	2.5
135.07104	1.2
135.08061	12.2
135.11681	35.7
135.12712	1.9
137.02333	1.7
137.05968	2.3
137.09598	1.2
138.06754	2.1
139.03879	0.9
139.07561	1.9
145.02843	10.1
145.03908	1.5
146.07266	0.8
148.97310	1.9
149.05971	5.3
149.09633	4.3
149.13245	18.7
149.97224	3.9
151.03856	3.2
151.11195	3.8
152.04643	2.9
153.05418	1.0
153.09087	4.9
153.74957	0.8
159.10446	1.6
159.11674	16.6
162.06790	1.1
163.03850	5.1
163.07539	4.2
165.06932	1.1
167.07001	1.9
167.08383	1.0
171.98871	1.5
172.98737	1.6
177.05443	12.6
177.09099	3.4
177.12744	12.4
177.16336	1.6
195.02827	2.8
195.06531	23.5
195.08211	1.1
195.10162	3.5
195.13800	17.1
195.15535	1.0
196.14099	1.0
196.17003	1.2
198.05226	2.1
202.74675	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.0651
Annotation	2,4,8-Trihydroxy-1-tetralone
Peak:m/z	Relative Intensity
55.01868	0.8
55.05500	0.8
56.03849	0.5
56.96536	0.5
57.03435	0.5
63.02391	0.5
65.03935	1.1
67.05512	1.1
69.07076	0.7
70.58305	1.5
72.82139	0.5
74.69582	0.5
78.04713	1.9
79.05486	2.1
79.30573	0.5
81.07044	1.7
83.01358	0.8
83.04950	0.7
85.02902	0.7
89.03913	27.3
91.05470	4.7
93.03378	0.9
93.07038	3.9
95.04961	1.7
95.08616	1.2
97.06519	0.5
98.97601	2.8
103.05450	2.2
105.07037	2.2
106.04156	2.3
107.04964	4.1
107.08566	1.7
109.06517	1.0
109.64781	0.5
111.04440	1.6
111.05567	0.6
111.08097	1.1
116.98586	1.5
117.03374	51.2
119.04922	1.5
121.06503	3.0
121.10152	1.3
124.05237	0.8
125.05967	1.9
129.66132	0.5
131.04945	1.3
131.08582	0.5
134.03618	9.1
135.04417	9.7
135.08035	4.2
135.11664	0.8
137.05997	1.1
138.06708	0.9
139.07530	1.7
145.02838	89.1
146.03160	0.8
146.07269	0.6
149.05969	27.3
149.09615	1.1
151.03882	1.0
152.04623	0.8
153.05409	3.2
158.99673	1.1
162.03081	2.7
163.03885	10.8
163.07513	1.8
167.07002	0.9
174.62656	0.5
177.05461	100.0
178.05847	0.8
186.05516	2.1
195.02831	1.0
195.06535	8.0
195.10190	3.2
195.13805	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.0651
Annotation	2,4,8-Trihydroxy-1-tetralone
Peak:m/z	Relative Intensity
51.16755	0.5
53.03956	1.5
55.01873	1.3
55.05494	1.2
56.96564	0.8
57.03436	2.7
61.27708	0.5
63.02357	1.0
65.03931	1.4
67.05500	1.2
69.07060	1.1
70.06570	1.1
70.83861	1.2
71.04975	1.1
71.92906	0.5
77.03909	0.7
78.04697	1.4
79.05478	5.7
81.03411	1.6
81.07057	4.3
83.04987	1.6
83.08617	0.8
85.02908	1.4
86.09685	0.7
89.03909	26.4
89.06028	0.9
91.05470	6.8
93.02763	0.7
93.03384	0.9
93.07030	4.6
94.05241	0.6
95.04971	3.7
95.08590	1.5
97.02876	0.8
97.06521	0.9
98.97552	0.6
99.09067	0.5
103.05456	3.5
105.03362	0.7
105.07024	6.9
106.04160	2.1
107.04945	10.0
107.08573	4.6
109.02838	1.0
109.06515	2.4
109.10187	0.9
110.47901	0.6
111.04428	2.3
111.05563	0.8
111.08059	1.1
116.98647	1.0
117.03367	42.5
117.07021	1.6
118.03717	1.1
119.04933	0.7
119.08562	0.6
120.05803	0.8
121.06497	8.7
121.10094	1.9
122.07175	0.8
123.04411	1.8
123.08015	0.8
124.05190	1.4
124.08646	0.6
125.05982	2.1
130.96284	0.8
131.04919	2.6
131.08508	1.0
132.05655	0.7
133.02817	1.0
133.06474	0.7
134.03609	6.7
135.04398	9.7
135.07118	1.3
135.08040	11.4
135.11670	2.5
137.02316	0.9
137.05962	2.6
137.13237	0.7
138.06708	2.8
139.03938	0.7
139.07536	2.3
145.02831	82.6
146.07228	2.8
147.04416	0.9
148.97354	0.7
149.05966	22.4
149.09569	2.3
151.03873	2.5
151.07533	0.7
152.04654	1.3
153.05464	4.5
153.09068	1.7
153.12741	0.9
159.11681	0.9
162.03079	1.9
162.06731	1.5
163.03885	13.3
163.07576	6.7
167.07039	2.8
171.98956	1.0
173.70192	0.6
177.05450	100.0
177.12657	1.1
178.05821	1.8
186.05553	3.0
195.02948	3.1
195.06525	13.3
195.08237	1.5
195.10165	5.0
195.11739	1.1
195.13741	1.8
195.15596	1.0
198.05177	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.065
Annotation	2,4,8-Trihydroxy-1-tetralone
Peak:m/z	Relative Intensity
50.01622	0.7
52.47141	0.6
53.03945	0.6
55.01875	0.7
56.55258	0.5
63.02383	0.9
65.03932	0.7
68.14787	0.5
69.03433	0.7
71.27523	0.9
78.04713	0.7
79.05477	2.7
81.07055	2.0
84.08192	0.6
85.02904	0.8
89.03907	26.5
91.05470	2.5
93.03384	0.8
93.07043	2.3
94.04214	0.5
95.04973	1.9
95.08636	0.8
98.97594	1.7
103.05453	1.9
105.07022	1.7
106.04163	2.5
107.04954	1.7
107.08575	1.5
110.07166	0.7
111.04482	1.1
116.98606	1.1
117.03368	50.8
121.06509	3.2
124.05170	1.3
125.06021	1.0
131.08551	0.5
134.03624	9.0
135.04407	8.7
135.07104	0.6
135.07997	2.7
137.05949	0.8
138.06670	1.9
145.02831	94.1
146.03162	1.1
149.05962	25.7
149.09677	0.8
153.05492	1.1
158.06059	0.7
162.03090	2.3
163.03905	11.0
163.07475	1.4
165.05475	0.7
167.07011	1.2
177.05453	100.0
178.05748	1.3
180.07819	1.2
186.05498	1.8
195.06506	6.0
195.08371	1.1
195.10167	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.065
Annotation	2,4,8-Trihydroxy-1-tetralone
Peak:m/z	Relative Intensity
53.03939	1.5
55.01868	0.9
55.05492	0.8
56.05043	0.7
56.96555	0.9
57.03422	1.3
57.07076	0.9
61.31266	0.5
63.02358	0.8
65.03928	2.9
67.05489	2.0
69.03423	0.9
69.07057	0.7
69.36308	0.7
69.36713	4.6
70.06585	0.5
71.04980	0.6
77.03940	0.7
78.04711	2.6
79.05489	7.6
81.03391	1.0
81.07040	3.1
83.04979	0.6
83.08640	0.5
85.02876	0.9
89.03908	31.2
89.06037	0.6
91.05472	7.0
92.06215	0.7
93.03384	2.5
93.07023	4.1
95.04970	5.0
95.08606	0.8
97.02897	0.9
98.97571	2.4
103.05454	4.7
104.06236	1.3
105.03404	3.6
105.04485	1.0
105.07024	4.9
106.04179	2.7
107.04945	12.5
107.08582	2.2
108.72368	0.5
109.02896	1.4
109.06496	2.5
111.04426	5.5
111.08075	0.6
116.98598	1.5
117.03368	50.9
117.07005	0.6
118.03625	0.5
119.04937	1.8
120.05691	1.0
121.02860	1.0
121.06501	8.2
121.10116	2.0
123.04414	1.8
124.05183	1.4
125.05975	5.2
131.04919	2.4
131.08553	0.6
132.05708	0.5
133.02855	5.2
133.06482	2.5
133.10133	0.6
134.03619	9.1
134.07242	0.8
135.04395	14.6
135.08035	7.1
135.11697	0.6
136.08739	0.6
137.05960	4.2
137.09633	1.0
137.10669	0.6
138.06709	1.4
139.03925	0.8
139.07565	1.2
141.75371	0.6
145.02829	91.7
146.03186	0.8
147.04416	1.7
148.05144	0.8
148.97314	1.0
149.05965	27.8
149.09610	2.2
150.06749	3.4
150.10323	0.6
151.03886	1.9
151.07518	2.1
152.04678	1.4
152.08313	0.6
153.05467	8.8
153.09013	0.6
153.11284	0.5
158.99602	0.6
160.07031	0.6
162.03127	2.9
162.06709	1.5
163.03896	15.3
163.07526	3.7
164.04378	0.6
164.08337	4.8
165.05461	18.2
165.06755	0.6
167.07002	1.7
171.98874	0.8
177.05449	100.0
177.08907	2.2
178.04790	0.9
178.06038	0.9
180.07791	17.5
183.02931	0.7
186.05486	2.0
195.02882	1.7
195.05038	0.8
195.06558	12.2
195.10147	27.8
195.15794	0.5
198.05179	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.0651
Annotation	2,4,8-Trihydroxy-1-tetralone
Peak:m/z	Relative Intensity
53.03937	2.0
55.01857	1.2
56.96558	3.9
57.03419	1.1
61.02926	0.8
63.02377	0.7
65.03941	1.8
66.56550	0.6
69.03425	1.2
69.07059	1.5
70.06572	0.7
70.77710	1.4
71.04984	0.9
71.89839	0.6
73.02901	1.5
74.97636	0.6
78.04718	0.9
79.05486	5.3
81.03400	1.4
81.07053	6.2
82.07391	0.6
85.02898	2.3
89.03912	26.2
91.05458	6.1
93.03436	0.8
93.07044	4.8
94.96693	0.6
95.04963	2.5
95.08616	1.1
97.02898	1.0
97.06494	0.7
98.97577	9.3
103.05450	2.4
105.03397	0.7
105.07021	2.1
106.04161	2.9
107.04939	4.1
107.08587	2.8
109.02816	0.8
109.06512	1.2
109.10140	0.7
111.04414	2.3
116.98626	4.4
117.03371	50.9
119.04896	0.9
121.02829	1.3
121.06503	5.2
121.10130	1.1
123.04420	0.7
124.05241	0.8
125.05992	2.5
128.98628	0.9
131.04861	1.2
132.35771	0.7
134.03618	8.6
134.99625	1.6
135.04404	8.3
135.08012	4.2
135.11679	1.5
137.05983	1.1
138.06728	1.2
139.07596	1.0
139.52811	0.6
145.02834	84.1
146.03140	1.4
146.07237	1.0
146.99612	1.0
149.05971	23.7
149.09514	1.1
150.06203	0.7
151.03848	0.9
152.04710	1.0
153.05446	4.8
158.99632	3.1
162.03091	2.4
163.02701	0.7
163.03903	8.5
163.07578	1.8
165.06734	1.0
166.62265	0.6
168.74986	0.8
177.00723	3.9
177.05455	100.0
178.05801	1.4
180.03081	1.2
180.07796	1.2
186.05489	2.0
195.02951	1.4
195.06654	6.9
195.08414	0.9
195.10161	4.1
195.11943	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.0651
Annotation	2,4,8-Trihydroxy-1-tetralone
Peak:m/z	Relative Intensity
50.81031	0.4
53.03937	1.3
53.29248	0.5
55.01865	1.1
55.05503	2.0
56.05000	0.6
57.03446	0.7
57.07071	0.4
63.02357	0.6
65.03927	1.3
66.04717	0.5
67.02986	0.4
67.05499	1.6
69.03426	1.0
69.07044	1.4
69.25794	0.5
69.42701	1.1
69.43122	2.8
70.06577	0.7
74.51364	0.4
78.04695	1.0
79.05489	5.0
80.68078	0.4
81.03405	1.2
81.04536	0.5
81.07050	1.9
82.61875	0.4
83.04972	6.8
84.08125	0.7
85.02908	0.6
85.06537	0.9
86.02072	0.4
86.09674	0.5
86.58051	0.4
89.03909	24.2
91.05482	6.1
93.03412	1.4
93.07040	3.9
95.04950	3.6
95.08593	1.2
97.02869	0.6
97.06507	1.0
99.05552	0.8
103.05457	3.0
105.03384	1.5
105.04484	0.6
105.07021	4.2
106.04167	1.9
107.04948	7.9
107.08590	3.6
109.02844	0.7
109.06505	1.8
109.07613	0.8
110.07141	0.6
111.04425	3.1
111.05556	1.0
111.08049	0.8
115.05432	0.6
117.03368	46.3
117.07036	0.7
118.03716	0.5
119.04939	1.3
119.08566	0.8
120.05635	1.0
121.02871	0.9
121.06500	5.8
121.10120	2.1
123.04440	1.6
123.08025	0.7
124.05180	1.2
125.05981	2.0
125.07004	0.5
130.96317	0.5
131.04910	1.4
131.08521	1.3
133.02792	0.8
134.03616	7.4
135.04404	10.9
135.08040	6.6
135.11597	0.9
136.05060	0.8
136.07451	0.5
137.02391	0.7
137.05957	1.9
137.09692	0.6
137.10709	0.6
138.06711	1.3
139.07535	1.8
145.02829	87.9
146.03169	1.6
146.07175	0.9
148.97333	1.1
149.05965	23.4
149.09608	1.8
149.13275	0.9
151.03894	2.0
151.11163	0.6
152.04683	1.1
152.08104	0.6
153.05453	4.3
153.07666	0.6
153.09082	0.9
154.06102	0.5
155.06973	0.8
158.05936	0.5
159.11659	0.9
162.03094	1.8
162.06767	0.6
163.03882	11.0
163.07556	3.0
165.05482	0.9
165.06961	0.5
167.03394	0.6
167.07034	1.1
168.07649	0.5
171.98964	0.5
177.05449	100.0
177.60840	0.4
178.05797	1.5
180.04167	0.7
180.07736	1.1
181.25790	0.4
186.05473	1.8
195.01349	0.4
195.02852	2.0
195.06529	13.5
195.08249	1.0
195.10196	4.0
195.12221	1.0
195.13853	1.0
195.15520	0.4
197.27679	0.5
198.05193	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.065
Annotation	2,4,8-Trihydroxy-1-tetralone
Peak:m/z	Relative Intensity
52.63744	0.5
53.03941	1.2
54.03503	0.4
55.01872	0.7
55.05505	0.6
56.05035	0.6
57.03435	1.4
59.06029	0.5
63.02383	1.2
65.03910	1.1
67.05484	0.8
68.96342	0.5
69.07069	1.0
70.06593	0.6
70.70594	1.2
70.70999	0.9
78.04705	1.7
79.05489	3.6
81.03410	0.6
81.04533	0.8
81.07049	1.4
84.08152	1.6
85.02888	0.7
89.03909	27.3
89.06039	0.8
91.05473	5.0
93.03400	0.7
93.07034	2.7
95.04951	2.6
95.08615	1.0
98.97568	0.5
103.05479	2.8
104.81614	0.5
105.07025	4.3
106.04151	1.6
107.04945	4.2
107.08584	1.9
108.05585	0.5
109.06512	1.6
109.10169	0.8
111.04449	2.0
111.09165	0.6
117.03367	46.7
117.07032	0.6
118.03650	0.8
119.04927	0.8
119.08566	0.5
120.05644	0.5
121.02831	0.9
121.06503	6.2
121.10162	1.5
122.07197	0.8
123.04439	1.5
124.05212	1.4
125.06001	2.2
131.04901	1.7
131.08546	0.7
133.06479	0.7
134.03633	8.7
135.04414	8.4
135.08025	9.0
137.02319	0.5
137.05960	2.2
138.06702	2.5
139.03873	0.6
139.07510	1.5
145.02831	90.0
146.03221	0.9
146.07265	1.5
148.97368	0.9
149.05965	25.5
149.09618	1.4
149.30348	0.4
150.06541	0.6
151.03889	1.7
151.07466	0.6
152.04645	1.2
153.05464	3.6
153.07773	0.5
153.09053	1.7
153.97885	0.5
161.12888	0.5
162.03157	1.9
162.06728	1.0
163.03893	11.1
163.07527	4.7
165.89296	0.4
167.07076	1.1
171.98886	0.7
177.05452	100.0
178.05740	1.6
180.07857	0.5
180.89925	0.5
183.02972	0.7
186.05501	2.0
195.02866	1.8
195.06551	10.0
195.08459	1.0
195.10135	4.1
195.11761	0.7
195.15767	0.6
198.05289	0.7
206.89240	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.1222
Annotation	Ibufenac
Peak:m/z	Relative Intensity
50.79508	0.4
51.02385	0.8
52.58469	0.4
53.03947	1.4
55.01866	7.6
55.05508	7.1
57.03428	2.2
57.07071	0.7
59.04993	1.0
63.02378	0.8
65.03944	1.5
66.04724	0.8
67.05503	7.3
69.03423	4.2
69.07065	4.4
71.04987	5.1
71.52625	0.9
71.53055	0.6
77.03915	0.7
79.05486	21.2
81.03400	0.9
81.07050	18.1
83.04972	10.3
83.08612	1.3
85.02906	0.6
85.06542	2.4
87.04515	0.5
89.03907	0.6
90.04682	0.5
91.05474	32.1
93.07037	21.9
94.04174	0.6
95.04952	11.6
95.08601	8.5
97.06525	10.6
99.04440	1.7
99.08089	2.1
103.05460	10.1
104.06261	0.9
105.03418	0.9
105.07021	100.0
106.07342	1.3
107.04941	2.1
107.08582	17.0
107.09306	0.9
109.02867	0.9
109.06511	11.7
109.10126	3.8
111.04480	0.9
111.08076	2.0
113.05979	0.6
115.05444	11.5
117.07005	4.0
118.04150	5.7
119.04936	2.4
119.08572	29.2
120.08883	0.7
121.06510	6.3
121.10130	4.8
122.03633	1.1
123.04410	1.6
123.08045	7.5
123.11688	2.4
125.06008	0.8
127.07549	2.1
129.07001	1.5
131.04903	2.9
131.08562	6.0
132.05704	1.8
133.02867	4.1
133.05652	0.8
133.06482	42.9
133.10117	50.3
134.06895	1.5
134.10458	0.8
135.04373	0.9
135.08041	20.1
135.11670	1.4
137.05978	3.6
137.09595	1.7
137.13214	0.8
142.07761	3.8
143.04971	0.8
143.05969	2.5
145.06435	0.6
145.10117	2.4
147.04413	1.4
147.08040	3.6
147.11674	45.6
148.12064	0.7
149.02325	1.5
149.05946	1.7
149.09587	6.2
149.13269	0.6
150.03110	1.6
150.06746	1.5
151.07532	2.1
151.11180	4.9
157.10129	4.7
160.05244	0.6
160.07599	0.6
160.08839	1.6
161.05971	41.5
162.06677	1.8
163.11171	0.6
165.05498	1.6
165.09169	2.3
165.12737	12.9
175.03914	0.9
175.07590	1.9
175.11172	24.2
175.14822	1.5
176.11475	0.7
178.02602	4.4
178.06288	0.9
179.03171	0.5
186.51831	0.5
193.04950	13.6
193.08592	11.6
193.12238	20.1
193.15820	2.7
194.15410	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.1335
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02377	0.6
53.03944	1.7
55.01868	10.6
55.05505	1.1
56.05032	0.5
56.96564	0.9
57.03437	0.7
57.07063	0.9
60.26371	0.5
65.03935	0.8
66.04716	0.8
67.05495	1.4
68.05019	0.9
69.03432	1.2
69.07063	0.8
69.33109	1.2
69.33533	3.1
70.06578	0.5
71.04969	0.4
72.07749	1.0
72.08151	19.0
77.03940	0.7
79.05478	3.9
81.03397	0.8
81.04543	0.7
81.07051	1.9
82.06574	0.5
83.04964	0.8
83.06107	0.7
84.04532	0.5
84.08144	0.6
87.05580	0.5
91.05486	4.1
93.07043	1.1
94.04169	0.6
95.04965	4.7
95.06117	0.5
95.08622	1.4
97.02860	0.5
97.07642	0.4
97.87960	0.4
98.06025	0.6
98.97582	0.6
99.75725	0.5
103.05445	3.8
104.06264	0.6
105.03383	100.0
105.07018	8.4
106.03703	1.3
107.04961	1.4
107.08572	1.0
109.02837	0.6
109.06518	2.6
109.07647	0.7
109.10133	1.2
111.04411	0.6
115.05445	1.5
116.98607	0.5
118.04137	1.2
119.04972	1.1
119.08549	2.2
120.05648	0.5
121.06503	1.3
121.10164	0.5
122.03642	2.2
122.06030	2.8
122.07262	0.5
123.04435	1.1
123.05453	0.4
123.08096	1.4
131.04915	1.9
131.08588	0.6
132.05734	1.2
133.02838	9.8
133.06494	8.0
133.07478	0.9
133.10115	1.8
134.06035	5.7
134.07143	1.1
135.04430	2.2
135.08012	1.3
135.11691	0.8
137.05981	4.8
137.09587	1.1
146.97464	1.0
147.02557	0.4
147.04391	5.3
147.08051	1.0
147.11697	0.8
148.05115	0.7
148.08636	0.7
149.02347	1.1
149.05956	2.3
150.03101	3.4
150.06723	3.8
151.03885	0.9
151.07533	2.1
151.11113	0.6
160.05159	2.2
161.02345	0.8
161.05980	7.0
162.06757	6.3
165.05478	5.9
165.09090	6.5
167.52211	0.4
175.03944	0.7
175.07520	5.0
175.09776	0.4
175.14790	1.3
176.03429	1.0
176.10690	46.1
177.11072	0.7
178.02609	11.6
178.06180	0.7
189.19205	0.4
193.04941	26.7
193.08594	10.9
193.10593	0.8
193.13396	8.4
193.15887	2.5
194.05345	1.0
194.11882	0.7
194.15398	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.1221
Annotation	Cuminyl acetate
Peak:m/z	Relative Intensity
51.02354	1.0
53.03933	2.8
55.01871	8.6
55.05494	3.6
57.03421	1.8
59.04986	2.2
63.02319	0.8
65.03912	2.7
67.05480	3.1
69.03400	1.8
69.07024	1.5
69.40999	7.7
71.04969	2.0
71.28506	0.8
75.27897	0.8
77.03886	1.1
77.17134	0.9
79.05482	8.7
81.03409	1.1
81.07038	3.2
83.04958	1.7
85.06528	1.0
86.12689	0.9
91.05471	78.5
93.07037	13.0
95.04944	4.4
95.08571	1.6
103.05452	9.0
105.03410	1.0
105.07020	95.1
106.07324	1.9
107.04948	2.7
107.08586	10.0
108.05746	6.4
109.06516	4.6
109.10145	2.3
111.08076	1.0
115.05452	14.6
116.06229	20.1
117.07021	10.0
118.04128	1.4
118.07797	5.3
119.04919	3.0
119.08567	7.2
120.09411	1.2
121.06496	16.4
121.10162	1.4
122.03610	2.2
122.07288	1.8
123.04440	1.3
123.08060	20.8
128.06192	1.7
129.06995	11.8
130.07722	1.5
131.04906	2.5
131.08549	67.5
132.05704	1.6
132.09380	0.9
133.02869	8.7
133.06482	29.0
133.10114	66.9
134.10452	1.1
135.08037	18.3
135.11662	4.6
136.05186	10.4
137.05978	5.8
137.09589	4.1
138.06711	3.0
139.07538	2.0
143.06047	1.0
146.07256	2.1
146.97455	2.2
147.04356	2.1
147.08057	5.3
147.11621	2.2
148.08815	38.7
149.02342	8.3
149.05922	1.5
150.03008	1.5
150.06717	2.0
151.07520	34.7
160.05196	1.2
161.05972	10.0
161.09607	9.1
162.06720	3.4
163.07539	3.2
163.11163	46.5
164.11516	1.3
165.05519	4.3
165.09071	7.0
165.12698	6.4
169.99002	1.1
175.03856	1.5
175.07457	4.6
175.11150	1.0
175.14781	1.3
178.02585	7.2
178.09854	8.2
181.12216	5.1
191.11784	4.1
193.03111	1.3
193.03470	0.7
193.04945	37.8
193.08595	10.1
193.12225	100.0
193.15761	4.4
194.05020	0.9
194.08296	1.1
194.12550	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.0858
Annotation	(E)-Methyl 4-methoxycinnamate
Peak:m/z	Relative Intensity
53.03942	1.2
55.01869	10.8
55.05506	3.6
57.03426	1.5
57.07076	1.0
59.04990	0.6
64.40891	0.4
65.03941	1.6
66.04715	0.6
67.05503	4.4
69.03423	2.3
69.07064	3.2
69.86130	2.4
71.04979	1.9
77.03935	0.6
79.05485	15.0
81.03417	0.8
81.07051	7.9
82.92171	0.5
83.04980	4.0
83.08619	0.6
84.11029	0.5
85.06534	1.5
90.04697	1.0
91.05472	14.7
92.02650	0.4
93.07037	9.1
95.04956	6.4
95.08606	5.1
97.06514	4.6
98.20828	0.5
99.04415	0.7
99.08083	3.7
102.04697	1.0
103.05458	15.0
104.06252	0.7
105.03396	1.3
105.07021	100.0
106.07362	1.9
107.04936	2.0
107.08568	6.6
109.02825	0.6
109.06509	6.9
109.10142	3.8
111.04456	0.7
111.08047	1.1
115.05447	19.1
117.07018	2.1
117.81857	0.4
118.04152	10.7
119.04933	1.8
119.07708	0.7
119.08571	13.7
121.06485	3.2
121.10105	2.2
122.03621	1.1
123.04475	1.2
123.08052	3.3
123.11704	1.6
125.05992	0.7
127.07518	0.9
129.06972	0.8
131.04929	4.7
131.08545	2.4
132.05717	2.1
133.02846	5.0
133.06479	72.2
133.10117	20.8
134.06944	1.5
135.04468	0.9
135.08041	9.2
135.11659	1.6
137.05975	3.9
137.09587	2.7
142.07774	1.6
143.04907	1.4
143.06035	4.8
145.10112	0.9
146.07204	0.5
147.04407	3.3
147.08041	1.9
147.11673	19.3
149.02344	2.1
149.05972	1.7
149.09624	2.5
149.13234	0.5
150.03101	1.4
150.06744	1.5
151.07541	2.0
151.11179	2.5
157.10068	2.2
160.05179	1.6
160.08852	0.9
161.05965	75.9
162.06729	3.7
163.07576	0.7
163.11218	0.7
165.05475	1.8
165.09126	4.1
165.12772	4.6
166.61324	0.4
172.69466	0.4
175.03893	0.6
175.07565	4.1
175.11169	10.6
175.14851	1.9
176.03354	0.6
177.05469	0.7
178.02589	5.3
178.06190	1.4
193.03113	0.7
193.04945	17.9
193.08591	21.0
193.12225	9.9
193.15846	4.0
194.05438	0.8
194.09126	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.0859
Annotation	(E)-Methyl 4-methoxycinnamate
Peak:m/z	Relative Intensity
53.03936	1.7
55.01869	17.9
55.05511	3.2
56.96567	0.5
57.03419	1.4
57.07071	1.0
65.03936	1.3
66.04720	1.1
67.05504	5.2
69.03422	1.3
69.07056	2.7
70.07769	2.5
71.04992	1.1
71.77486	0.5
76.25695	0.5
77.03930	0.9
78.81979	0.5
79.05489	16.6
81.03389	1.0
81.07048	5.5
83.04972	1.8
83.08605	1.5
85.06531	1.6
89.03867	1.1
90.04675	1.2
91.05475	16.9
92.02631	0.7
93.07024	6.1
94.04186	1.1
95.04969	5.5
95.06079	0.6
95.08600	5.4
97.07655	0.6
99.08096	2.2
102.04702	0.6
103.04798	1.1
103.05464	18.9
103.06151	1.2
104.06243	1.5
105.03394	1.4
105.07025	100.0
106.07362	2.3
107.04951	1.9
107.08598	6.0
109.06518	4.7
109.10150	6.0
111.08098	0.7
111.97705	0.5
115.05449	20.5
116.05763	0.9
117.07036	0.6
117.47309	0.6
118.03387	0.9
118.04154	11.9
119.04932	2.1
119.08568	9.9
119.38632	0.5
121.06504	2.5
121.10146	2.9
122.03641	2.4
122.07137	0.7
123.04449	1.2
123.08048	2.4
123.11726	1.3
125.06017	0.6
130.04178	0.8
131.04919	5.0
131.08537	1.7
132.05708	3.4
133.02858	11.3
133.06480	82.2
133.10121	13.9
134.05971	0.6
134.07056	1.8
135.04396	2.7
135.08028	2.2
135.11702	3.4
137.05963	6.0
137.09604	5.0
143.04906	2.0
143.06038	6.3
145.10057	0.6
146.97437	0.7
146.99635	0.5
147.04401	3.7
147.08052	1.5
147.11662	5.7
148.07556	0.5
149.02312	1.3
149.05962	2.8
149.09561	0.6
149.13269	1.1
150.03111	4.1
150.06754	4.8
150.10271	0.9
151.03889	1.0
151.07541	3.7
151.11154	1.3
160.05188	2.9
161.02330	1.7
161.05972	84.7
162.06734	7.8
165.05421	3.8
165.09114	8.7
165.12656	0.9
175.03885	0.8
175.07518	6.2
175.11128	2.5
175.14818	6.4
177.05458	0.9
178.00999	0.6
178.02599	12.7
178.06236	2.2
193.04956	32.3
193.08588	26.8
193.10539	0.9
193.12230	4.5
193.13797	0.6
193.14127	0.6
193.15858	7.3
194.05295	1.2
194.08272	0.7
194.15497	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.0495
Annotation	1,3,6,8-Naphthalenetetrol
Peak:m/z	Relative Intensity
51.02382	0.6
53.03955	1.0
55.01869	2.7
65.03931	1.1
66.04720	1.9
67.05482	0.4
69.03416	0.5
70.57760	1.2
71.05013	0.5
72.96259	0.4
76.03156	0.4
77.03925	1.5
79.05492	1.0
79.13001	0.4
81.07042	0.8
89.03935	1.0
91.05471	4.1
93.07043	0.8
94.04183	3.2
95.04970	1.6
103.05447	3.3
105.03389	4.2
105.04528	0.6
105.07005	3.5
107.04965	0.5
109.06519	0.9
115.05429	0.7
118.04202	0.5
119.04974	0.8
119.08578	0.7
121.02839	0.7
122.03625	4.4
123.07984	0.5
132.02071	1.2
132.05753	0.6
133.02840	30.5
133.06467	3.3
133.10175	0.8
135.04408	1.0
135.07986	0.4
137.05969	3.5
140.05968	0.7
142.29565	0.4
145.04042	0.4
147.04382	2.8
149.05972	2.9
150.03111	35.0
151.03568	0.8
161.02328	6.3
161.05927	3.4
162.06793	0.5
165.05464	2.8
165.09094	1.4
170.55621	0.4
175.07582	0.9
178.02597	93.3
179.02928	2.1
193.04945	100.0
193.15813	0.7
194.05287	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.0495
Annotation	1,3,6,8-Naphthalenetetrol
Peak:m/z	Relative Intensity
51.02377	1.1
53.03939	1.6
55.01869	19.3
55.05505	1.5
56.05014	0.8
56.96561	2.0
57.03428	1.2
57.07062	1.1
65.03938	1.5
66.04720	1.4
67.05491	1.7
69.03418	1.9
69.07040	1.0
69.92805	1.9
69.93227	1.1
70.06587	1.6
71.04989	0.5
73.02909	0.7
74.47544	0.5
77.03922	1.9
79.05491	4.6
81.03401	1.2
81.07042	2.5
83.04986	0.9
83.06113	1.7
83.08599	0.8
84.04488	1.1
84.08131	1.9
85.02890	0.8
86.09698	0.8
88.60089	0.5
89.03896	1.7
91.05472	7.9
91.54501	0.5
93.07031	2.0
94.04190	2.7
95.04958	4.3
95.06037	0.7
95.08589	1.5
98.97588	0.8
103.05468	7.3
105.03390	4.5
105.04498	0.6
105.07020	10.4
107.04961	3.0
107.08582	1.8
109.02885	1.0
109.06493	1.8
109.07619	0.9
109.10138	1.8
111.04435	0.7
115.05449	2.1
117.07019	0.6
117.35336	0.5
118.04156	2.1
119.01826	0.9
119.04920	2.5
119.08578	2.6
119.63683	0.6
120.05656	0.8
121.02870	0.8
121.06487	2.6
121.07533	0.4
121.10120	0.9
122.03635	7.1
122.07201	1.2
123.04419	1.7
123.08061	1.4
123.09216	0.6
131.04897	3.5
132.02068	1.0
132.05704	2.6
133.02834	36.3
133.06485	12.1
133.07509	0.4
133.10083	2.4
134.03581	0.9
134.07190	1.8
135.04410	3.3
135.05284	0.5
135.06821	0.4
135.08020	1.8
135.09029	0.7
135.11705	0.7
137.05966	9.8
137.06985	0.6
137.09602	0.9
138.06361	0.5
140.03418	0.5
145.03944	0.7
145.85233	0.5
146.97472	1.5
147.01456	0.5
147.04393	8.0
147.08057	1.5
147.11743	0.8
148.05109	0.9
149.02315	1.9
149.05960	6.2
150.03108	37.7
150.06721	6.2
150.10199	0.5
151.03918	0.7
151.07541	4.9
151.11143	0.9
157.14926	0.4
160.05185	2.8
161.01143	0.7
161.02344	7.4
161.05963	13.8
162.06740	11.0
163.07475	0.5
165.05467	6.0
165.09096	12.2
170.02922	0.9
174.04381	0.6
175.03935	1.6
175.07516	7.0
175.09816	0.7
175.11172	1.0
175.14838	1.7
176.03329	0.7
177.05476	0.7
178.02594	85.5
179.02953	1.8
189.00681	0.6
193.04942	100.0
193.08560	22.5
193.10556	1.4
193.11992	2.3
193.15866	4.0
194.05273	1.8
196.14481	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1428
Annotation	2,2,6,7-Tetramethylbicyclo[4.3.0]nona-1(9),4-dien
Peak:m/z	Relative Intensity
53.03937	1.5
54.73094	0.5
55.01869	5.5
55.05500	3.9
57.03425	0.6
57.07057	1.1
67.05502	4.9
69.03421	3.4
69.07064	18.1
69.64468	3.9
71.04978	1.1
71.82673	0.5
74.40798	0.6
77.11738	0.5
79.05486	5.9
79.31763	0.5
81.07047	5.9
81.72311	0.5
83.04966	3.9
83.08620	2.5
83.50651	0.5
85.06501	0.7
91.05472	12.2
93.07040	23.4
95.04983	2.9
95.08601	6.0
95.79926	0.5
97.06513	2.4
97.10137	0.9
98.43044	0.6
102.04678	1.1
103.05462	13.4
105.03379	1.3
105.07027	15.2
107.04964	3.5
107.08588	20.0
107.09310	1.3
109.06509	4.2
109.10139	5.8
112.20210	0.5
115.05444	2.4
117.07011	5.2
118.04142	3.3
119.04948	1.0
119.08565	6.6
120.05680	0.6
121.06498	25.1
121.07369	1.2
121.10134	17.2
123.08047	3.8
123.11713	1.3
129.06996	1.3
130.04132	1.7
130.07802	2.7
131.04933	8.5
131.08554	8.2
133.02847	2.2
133.06508	0.9
133.10118	10.9
135.04390	1.2
135.08051	15.6
135.11679	8.5
135.72499	0.6
137.09535	0.9
143.08539	2.6
144.09340	0.6
145.06465	2.0
145.10112	13.5
146.03552	0.6
147.04359	0.8
147.08012	1.2
147.11679	27.9
148.05212	7.0
148.12029	0.7
149.05949	1.8
149.09605	6.0
149.13261	11.2
155.08575	0.7
158.07207	1.0
158.10933	2.5
159.04422	0.7
160.05093	0.9
161.09602	6.6
163.07524	10.9
163.11160	7.4
163.14818	1.7
173.05870	1.2
173.09599	5.5
173.13252	10.9
176.04761	3.2
176.08368	0.7
176.11963	1.8
191.03368	0.8
191.07037	11.0
191.10670	12.2
191.14294	100.0
192.14584	1.8
211.30562	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.143
Annotation	Unknow
Peak:m/z	Relative Intensity
50.40559	1.2
53.03938	2.7
55.01855	4.6
55.05499	9.0
57.07059	2.1
59.04996	1.6
66.04703	2.7
66.05838	1.3
67.05501	23.1
69.03432	10.1
69.07058	13.8
69.44890	3.8
69.45319	6.6
71.04991	11.4
79.05486	19.5
81.07050	19.2
83.04972	3.6
83.08601	5.2
85.06509	5.5
91.05476	26.8
93.07040	25.0
95.04954	15.3
95.08603	20.6
97.06511	5.9
98.20719	1.4
102.04668	3.5
103.04797	2.6
103.05457	33.3
105.03352	4.1
105.07021	33.5
107.04964	6.7
107.08582	41.0
109.06509	39.2
109.10149	71.0
110.67918	1.4
115.05442	6.2
116.06236	1.9
117.06985	10.1
118.04147	11.4
119.04932	3.6
119.08582	14.1
121.06489	11.4
121.10135	28.2
123.08064	15.6
123.11661	2.3
128.06235	1.3
129.06973	3.6
130.04131	5.6
130.07751	2.4
131.04031	2.1
131.04926	25.4
131.08553	46.8
132.08937	1.2
133.02852	5.4
133.06482	5.0
133.10114	26.7
135.04524	1.5
135.08041	85.6
135.11667	13.5
136.08647	1.3
143.08540	6.2
144.09270	2.3
145.06459	4.1
145.10109	21.6
146.03625	3.0
146.05933	1.8
147.04388	4.3
147.08000	3.3
147.11685	11.7
148.05177	17.0
148.08783	2.1
149.05899	1.9
149.09615	16.3
149.13251	10.6
150.10303	2.1
158.10912	12.0
159.04324	1.5
161.05998	1.4
161.09578	3.5
162.10335	2.0
163.07535	29.8
163.11169	5.2
163.14824	3.6
173.05974	3.4
173.09595	4.7
173.13242	46.6
176.04681	11.7
176.11978	3.4
191.03432	4.8
191.07022	26.0
191.08693	2.7
191.10667	16.4
191.14296	100.0
191.17882	7.0
192.06497	1.3
192.14714	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	191.1429
Annotation	2,2,6,7-Tetramethylbicyclo[4.3.0]nona-1(9),4-dien
Peak:m/z	Relative Intensity
52.06506	1.1
53.03927	2.3
55.01868	2.1
55.05508	8.7
55.33875	1.0
57.03418	4.1
57.07058	3.1
59.04996	1.6
65.03904	2.9
67.05501	13.1
68.99809	1.1
69.03416	6.8
69.07055	16.5
71.04974	3.8
71.44339	2.1
72.39944	1.1
77.03863	1.3
79.05479	17.4
81.07045	17.1
83.04995	6.6
83.08598	6.6
84.31606	1.2
85.06531	4.5
91.05473	26.3
93.07031	28.0
95.04959	9.1
95.08592	16.0
95.86921	1.4
97.06511	8.9
97.10082	1.2
99.30555	1.2
102.04674	2.7
103.05466	20.1
105.03380	1.8
105.07020	58.4
105.68758	1.2
107.04933	5.3
107.07882	2.2
107.08585	43.1
109.02893	1.9
109.06509	13.0
109.10139	13.4
111.08041	4.2
115.05441	4.4
116.06236	1.4
117.06995	10.3
118.04168	5.7
119.04928	1.6
119.06044	1.1
119.08569	19.2
121.06491	12.5
121.09319	2.2
121.10130	25.8
123.08051	9.2
123.11675	3.1
129.06981	4.0
130.04152	2.0
130.07768	2.4
131.04903	12.4
131.08549	42.1
133.02805	3.3
133.06442	3.2
133.10112	100.0
134.10426	1.5
135.04375	1.5
135.08044	26.1
135.11652	9.6
136.08734	1.3
143.08536	10.1
144.09261	2.9
145.10110	37.2
146.03516	2.0
147.04340	2.1
147.08005	2.8
147.11673	13.6
148.05174	10.4
149.05899	1.4
149.09627	10.6
149.13255	14.3
150.10352	4.3
155.08562	1.8
158.10886	13.1
159.07964	1.1
161.09601	2.3
163.03928	1.2
163.07526	13.6
163.11160	6.9
163.14809	4.5
171.11653	1.4
173.09641	2.9
173.13248	49.1
176.04648	4.0
176.11911	1.5
191.03355	1.9
191.07018	16.4
191.08693	1.7
191.10674	10.3
191.14279	64.7
191.17903	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	191.1429
Annotation	Unknow
Peak:m/z	Relative Intensity
51.18277	0.8
53.03931	2.6
53.93803	0.7
54.50030	0.8
55.01874	4.1
55.05510	10.2
57.03427	2.0
57.07061	3.1
65.03900	0.8
67.05500	9.7
69.03425	18.7
69.07062	18.8
69.84969	0.9
71.04974	3.6
71.06110	2.1
74.95522	0.8
76.23064	0.8
79.05486	16.3
81.07047	12.6
83.04977	6.8
83.08614	11.1
85.06531	1.5
91.05467	18.3
93.07034	28.4
95.04958	6.6
95.08598	17.6
97.06525	3.9
97.10159	2.3
102.04675	2.9
103.05458	28.5
105.03378	3.1
105.07023	27.1
107.04943	7.1
107.08583	48.0
109.06512	7.9
109.10147	12.6
111.08077	1.7
115.05472	5.1
117.07034	6.6
118.04161	8.9
119.04908	2.4
119.06106	1.1
119.08582	15.1
120.05697	1.7
121.06487	13.6
121.10129	37.3
122.07256	1.1
123.08035	7.2
123.11679	3.1
128.06285	1.0
129.06992	4.0
130.04158	3.9
130.07748	2.9
131.03941	0.8
131.04913	19.6
131.08556	28.5
133.01991	0.9
133.02841	5.1
133.06493	2.5
133.10110	19.4
135.08043	29.4
135.11681	15.9
137.09627	2.1
142.10066	0.9
143.08539	7.5
144.09311	2.9
145.06488	4.7
145.10114	22.7
146.03610	2.5
147.04355	2.6
147.08046	3.1
147.11682	17.0
148.05188	14.5
148.08727	1.5
149.05962	1.3
149.09595	9.5
149.13231	14.2
158.07210	0.8
158.10912	12.9
160.05171	1.3
161.09605	2.8
162.10304	1.3
163.03915	0.9
163.06142	1.1
163.07530	23.2
163.11151	3.2
163.14804	12.4
171.11667	1.5
173.05948	2.5
173.09558	3.8
173.13248	41.1
176.04659	6.7
176.08315	1.4
176.11987	2.1
191.03369	2.8
191.05219	0.9
191.06996	23.0
191.08659	1.7
191.10654	12.8
191.14293	100.0
191.17865	7.2
192.06490	1.2
192.12546	0.8
192.14613	2.3
192.17502	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1428
Annotation	2,2,6,7-Tetramethylbicyclo[4.3.0]nona-1(9),4-dien
Peak:m/z	Relative Intensity
52.45864	1.8
53.03936	2.7
55.01853	6.1
55.05509	9.1
57.03427	1.9
57.07058	5.3
58.33285	1.4
58.90724	1.5
59.04986	3.9
67.05502	17.9
69.03425	10.8
69.07065	21.7
70.87909	4.6
71.04981	2.9
73.00949	1.5
79.05492	20.9
80.79935	1.4
81.03421	1.9
81.07051	24.2
83.04999	9.1
83.08598	4.3
91.05472	26.1
93.07038	40.4
95.04983	7.9
95.08600	39.6
97.06520	6.5
103.05471	9.7
105.03352	2.4
105.07025	38.7
107.04958	17.5
107.08589	55.7
109.06522	8.3
109.10142	18.3
111.08065	2.8
115.05430	3.6
117.07014	15.5
118.04082	2.2
119.08588	26.4
121.06497	28.8
121.10139	37.4
123.08071	8.4
123.11697	3.8
129.07002	2.9
130.07802	2.2
131.04889	7.3
131.08566	42.5
133.10126	32.3
135.08046	31.7
135.11699	10.2
137.09581	3.4
143.08565	9.9
144.09340	4.5
145.10110	22.7
147.11678	22.4
148.05164	4.5
149.09613	20.9
149.13268	18.3
158.10880	13.2
161.13290	3.8
163.07518	4.4
163.11166	3.3
163.14813	16.7
173.11754	3.5
173.13257	53.0
175.06056	1.5
176.04807	1.9
177.89844	1.5
185.27615	1.5
191.07001	7.1
191.14296	100.0
192.14651	2.3
194.13860	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.143
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.8
55.01879	1.9
55.05508	8.0
57.03415	2.0
57.07069	2.0
59.04987	1.2
65.03924	2.1
67.05503	8.7
69.03430	9.0
69.06729	1.1
69.07064	13.7
69.89605	0.9
70.78333	2.4
71.04976	4.4
79.05487	14.3
81.07050	14.2
83.04979	6.0
83.08617	6.0
85.06533	3.7
91.05479	27.7
93.07037	23.3
93.07624	1.0
95.04946	8.2
95.08599	16.6
97.06512	10.4
99.08080	1.4
102.04656	2.5
103.05462	33.5
105.03384	3.1
105.07027	48.1
106.41749	0.8
107.04961	5.0
107.08587	34.9
109.06530	7.6
109.10145	10.4
111.08038	1.9
115.05437	4.9
116.06245	2.2
117.07024	9.1
118.04156	10.7
119.04926	3.8
119.08578	21.5
120.05710	1.3
120.08086	2.8
121.06506	13.5
121.10140	24.0
123.08064	8.0
123.11687	2.8
128.06148	1.3
129.06975	4.4
130.04161	4.2
130.07771	3.0
131.04922	22.6
131.08560	43.9
132.05711	1.3
133.02847	7.6
133.06474	3.5
133.10123	100.0
134.10403	2.2
135.04430	1.1
135.08046	24.1
135.11687	8.4
143.08548	6.6
144.09303	3.4
145.06477	3.2
145.10114	22.2
146.03607	2.5
147.04425	1.9
147.08044	2.5
147.11682	12.9
148.05180	19.1
148.08714	1.6
149.05931	3.2
149.09616	11.6
149.13243	14.0
150.10320	1.2
158.10896	12.7
159.08014	1.4
161.05913	1.3
161.09618	1.9
161.13310	0.9
163.03893	1.3
163.07542	29.0
163.11162	6.2
163.14801	7.1
171.11668	1.1
173.05962	2.4
173.09610	3.1
173.13258	49.5
174.13618	1.1
176.04675	6.5
176.12013	1.6
191.03400	2.7
191.05717	0.8
191.07008	27.4
191.10719	11.1
191.14297	75.0
191.17926	2.7
192.06371	1.2
192.14662	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	190.0498
Annotation	2-Oxo-1,2-dihydroquinoline-4-carboxylate
Peak:m/z	Relative Intensity
51.47555	0.2
56.96576	0.3
64.07052	0.2
67.11796	0.2
69.35229	0.2
70.58572	0.6
70.58921	0.2
75.56860	0.2
89.03905	1.3
102.57146	0.2
104.09296	0.2
116.04977	2.7
134.06013	0.4
144.04463	0.6
157.13614	0.2
162.05492	100.0
163.05849	2.6
164.05997	0.3
173.07156	0.2
188.09201	0.2
190.04977	33.2
191.05295	0.8
191.06908	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1064
Annotation	2,6-Dimethyldeca-2,4,6,8-tetraenedial
Peak:m/z	Relative Intensity
53.03934	4.1
55.01870	4.9
55.02081	0.9
55.05505	10.3
57.03413	1.6
65.03941	1.5
67.05500	8.2
68.68510	0.8
69.03424	12.0
69.07069	5.1
70.34946	4.2
71.04986	5.7
77.03897	1.0
79.05482	17.9
81.03424	1.6
81.07051	11.7
83.04959	3.7
83.08604	1.5
91.05473	30.2
93.07031	41.1
95.04955	17.2
95.08611	4.7
97.06519	18.5
103.05453	9.0
105.04502	1.2
105.07020	60.2
106.07378	1.5
107.04922	7.7
107.08575	29.8
109.06509	18.9
109.10146	3.9
115.05435	4.6
116.06240	1.9
117.07010	23.5
118.04134	1.6
119.08563	15.6
120.08082	1.0
121.06493	100.0
121.10126	17.5
122.06863	1.4
123.08040	2.0
128.06183	3.2
129.06996	5.2
130.07774	14.9
131.04930	5.7
131.08554	27.9
133.02835	1.3
133.06462	2.4
133.10126	14.2
135.04419	3.4
135.08052	13.1
135.11676	11.0
143.08531	6.4
145.06468	1.9
145.10106	84.7
146.10458	2.0
147.08031	6.1
147.11661	7.3
148.05196	3.7
149.05980	6.4
149.09602	9.0
149.13243	4.0
153.06979	1.5
155.08586	5.5
158.07243	10.3
158.10895	2.1
161.09659	1.8
163.07521	6.9
163.11157	41.5
163.14813	1.9
173.08093	1.8
173.09608	35.5
173.11035	2.0
173.13205	7.5
176.04716	1.3
179.65291	0.9
191.03456	1.1
191.07043	5.7
191.10660	68.6
191.14261	19.7
191.17976	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.1273
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	2.3
57.07072	1.0
57.20807	1.0
61.00007	0.8
67.05489	1.8
69.03406	2.3
69.07051	3.8
70.06563	1.0
71.04333	2.1
74.11085	0.9
78.87353	0.8
79.05466	3.8
81.07026	2.7
83.04980	1.1
86.09701	7.1
91.05466	6.9
93.07027	4.7
95.04952	1.9
95.08597	2.0
97.06498	1.2
105.07026	14.7
107.08576	5.2
109.10148	1.3
115.05462	1.4
117.07001	4.3
119.04939	1.3
119.08574	28.4
121.06467	1.5
121.10154	2.9
121.46907	0.9
128.06172	3.0
129.06995	3.3
131.08559	5.6
132.05669	1.2
133.06461	2.4
133.10115	33.3
135.08044	6.4
141.06960	9.6
141.25063	1.0
143.08545	5.9
144.09332	1.6
144.32802	0.9
145.06516	4.7
145.10089	5.4
146.07208	1.6
146.10870	1.6
147.08040	11.9
147.11681	12.1
149.09625	2.2
155.08517	3.3
156.09334	50.3
157.09720	1.2
158.07208	1.0
159.08044	28.4
159.11700	12.3
160.08833	7.1
161.09624	7.5
161.13251	16.1
171.11674	45.3
172.08777	1.0
172.11909	1.2
173.09605	2.1
174.10385	68.3
175.10748	2.1
189.12726	100.0
189.16342	3.3
190.13042	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	189.1273
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	1.2
55.05490	3.2
67.05486	2.7
69.03416	3.8
69.07061	3.6
71.19388	2.3
75.59743	1.1
79.05499	6.2
81.03381	1.3
81.07043	4.1
83.04968	2.0
84.08131	1.1
88.50216	1.1
91.05473	12.2
93.07012	3.2
94.14922	1.0
95.04947	1.4
95.08584	1.5
97.35446	0.9
105.07019	23.3
107.08581	4.1
109.06493	3.0
115.05453	2.3
117.06991	5.1
119.04929	1.9
119.08568	33.5
121.06532	1.1
121.10128	3.2
122.83913	1.0
128.06218	3.6
129.06982	5.1
130.07779	1.7
131.08563	7.0
132.09315	1.6
133.06448	5.3
133.10117	36.4
135.08034	4.2
135.43204	1.1
141.07002	10.0
142.07805	1.7
143.08575	7.5
144.09309	2.6
145.06456	5.4
145.10083	9.1
146.07237	2.2
146.10907	1.9
147.04401	1.2
147.08025	16.8
147.11668	23.5
148.12029	1.8
149.09619	2.5
155.08525	2.0
156.09337	51.2
159.08040	35.2
159.11652	11.4
160.08849	7.2
160.45847	1.2
161.09610	9.0
161.13231	16.7
171.11674	41.7
173.09604	1.5
174.10388	60.7
181.66736	1.1
187.11214	1.3
189.12723	100.0
190.06247	2.5
190.13049	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	189.1272
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05484	1.8
56.70396	1.5
62.71704	1.6
66.87978	1.5
69.03415	7.0
70.77816	4.4
71.05002	1.8
79.05504	2.0
82.01013	1.5
83.04949	1.8
84.04499	3.7
85.02897	3.9
85.04784	2.5
88.00346	1.5
89.22363	1.8
91.05486	8.3
93.07030	2.0
95.08549	1.7
103.05408	1.6
105.07027	15.4
107.08549	3.9
109.10137	1.7
115.05434	2.8
117.07003	5.3
119.08561	17.6
128.06236	3.0
129.06990	5.4
130.07768	4.0
131.08589	7.8
133.06508	2.0
133.10109	8.2
141.06964	9.0
143.08571	8.4
144.09151	2.1
145.06488	2.1
145.10110	16.8
146.10699	2.7
147.04430	2.0
147.08032	9.4
147.11668	16.6
148.08714	1.7
155.08536	3.1
156.09334	58.6
157.09659	2.2
159.08038	5.9
159.11664	17.2
160.08868	3.7
161.09581	3.1
161.13234	3.8
171.11673	73.6
172.12166	1.7
174.06725	1.9
174.10341	9.0
189.05328	1.9
189.09189	7.3
189.12723	100.0
189.16313	3.6
190.13007	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.1272
Annotation	Unknow
Peak:m/z	Relative Intensity
52.50356	0.8
53.55386	0.8
55.05502	1.8
67.05479	1.0
69.03419	1.6
69.07033	2.1
70.70411	2.9
71.01318	0.7
78.69147	0.9
79.05486	2.5
81.03425	0.9
81.07041	2.0
83.04988	2.3
86.09686	3.4
87.02260	0.9
90.36270	0.8
91.05477	6.5
93.07031	2.9
95.08582	1.3
105.07024	11.0
107.04906	1.1
107.08569	2.3
115.05373	0.9
116.04313	0.8
117.06995	2.3
119.08566	23.7
121.06495	1.9
121.10101	2.7
128.06224	2.9
129.06119	0.9
129.06973	3.2
129.07800	0.8
131.08530	4.5
133.06479	1.7
133.10115	33.9
135.08041	5.4
141.06967	5.9
142.13715	0.9
143.08554	5.0
144.09331	2.4
145.06508	3.9
145.07520	0.8
145.10155	4.3
146.07115	0.9
147.08043	10.6
147.11681	14.5
149.09586	2.0
155.08569	2.9
156.09325	43.3
157.09726	1.6
159.08034	30.5
159.11658	12.8
160.08823	6.4
161.09642	6.3
161.13240	16.6
171.11676	36.8
171.13156	2.0
172.12000	1.3
173.09575	1.7
174.10382	63.1
175.10670	1.9
189.12724	100.0
190.13049	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	188.0705
Annotation	Unknow
Peak:m/z	Relative Intensity
54.28979	0.3
56.05032	0.4
56.96552	0.5
60.04528	0.3
61.02934	0.6
69.03447	0.3
70.02971	0.4
70.06582	0.3
70.50585	0.7
70.50952	0.8
72.08146	0.4
73.78100	0.3
81.03408	0.4
82.06567	0.5
83.04994	0.3
84.04046	0.6
84.04501	6.6
84.04977	0.6
84.08115	0.5
85.02898	1.4
87.04472	0.7
91.05474	4.6
100.07645	0.5
103.05452	0.6
115.05435	6.4
115.06179	0.6
117.05748	1.5
117.07014	4.5
118.06531	66.5
119.06890	1.4
128.07108	0.7
132.08070	0.8
142.06522	6.0
142.08623	0.4
142.98251	0.3
143.07286	12.7
144.04431	0.8
144.08072	22.7
145.06482	0.5
146.05995	100.0
147.06328	2.2
155.06009	0.8
156.09361	0.3
160.07599	1.6
162.11919	0.3
170.06004	7.6
188.07050	20.0
189.07426	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.1234
Annotation	H-ILE-GLY-OH
Peak:m/z	Relative Intensity
53.03950	0.5
53.55727	0.3
55.01861	0.8
55.05503	1.9
56.05032	0.4
56.96560	16.1
57.03427	0.8
57.07075	0.3
57.47138	0.3
58.06588	0.4
59.04993	0.4
60.04499	0.4
60.05629	0.7
60.08146	0.4
61.02921	0.5
61.64004	0.3
65.03946	0.4
67.05489	0.9
67.84120	0.3
69.03416	2.0
69.07059	2.0
70.03778	0.3
70.06577	2.8
71.01343	0.4
71.04973	0.4
71.28641	0.5
71.95269	0.3
72.08145	10.9
73.02909	1.2
73.74070	0.3
74.97610	0.8
77.00917	0.4
79.05491	0.8
81.03407	1.3
81.07049	0.7
83.04996	0.6
84.04491	0.7
84.08146	2.2
84.96052	0.4
85.02892	2.1
85.04832	0.4
85.06525	0.6
86.09698	100.0
87.04456	0.4
87.10033	1.0
91.00502	0.3
91.05472	1.3
94.04178	0.3
95.04999	1.6
95.08606	0.7
97.02885	1.3
98.09715	0.4
98.97570	9.1
99.04461	0.6
99.61668	0.4
101.00851	0.8
102.09171	0.5
103.02435	1.1
103.05499	0.4
105.07035	1.4
106.02816	0.3
107.04947	6.7
108.05260	0.4
109.02903	0.4
110.97549	0.7
111.00842	0.4
111.04431	0.3
112.01026	0.6
112.07597	0.4
115.02353	0.4
115.03979	0.3
115.05466	1.1
116.98608	10.2
117.07039	0.4
118.03539	0.6
119.01891	2.9
119.04938	0.8
119.08584	1.3
121.01583	1.5
121.03495	0.8
126.12800	0.6
128.02303	0.7
128.06223	0.7
128.98579	1.6
129.98076	0.4
130.08655	1.3
131.00215	0.4
131.04916	0.7
131.08531	0.4
131.99702	1.1
133.06480	1.8
133.07515	0.3
133.10118	0.9
134.06003	0.4
134.99643	12.4
135.04358	0.6
137.02975	1.2
137.05960	0.5
139.02635	0.3
139.51512	0.9
140.00212	0.3
142.06100	0.3
142.31670	0.3
143.08563	0.9
144.10222	1.2
144.13809	1.7
144.98166	0.6
145.01720	0.3
145.03444	0.7
145.06454	0.6
145.10158	0.8
146.99620	3.1
147.01382	0.6
147.03151	0.5
147.04341	0.4
147.08029	0.7
147.11694	0.9
147.99068	0.6
149.01236	0.7
150.00760	1.1
153.00716	2.7
156.09294	1.7
157.03508	0.4
158.01260	0.6
158.99594	0.8
159.08037	0.6
159.11697	0.4
161.01241	0.9
161.02919	0.6
161.05997	1.3
161.07146	0.4
161.09616	0.6
162.05539	1.1
162.99142	0.8
163.02798	0.5
163.04552	0.6
165.00722	0.9
165.04358	0.3
166.00203	2.0
168.05408	0.5
171.11664	1.6
173.01201	0.4
174.06699	0.4
174.10455	0.8
177.00652	1.8
177.04169	0.5
177.05785	0.4
181.00169	0.4
184.01208	0.4
184.51263	0.4
185.02905	3.0
187.04430	0.8
188.97252	0.4
189.00722	1.0
189.05339	1.0
189.06679	1.2
189.09132	0.7
189.12624	3.1
190.05101	0.3
190.08615	0.4
203.04048	0.8
204.05482	0.5
206.98213	1.0
207.01738	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	188.0336
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	2.6
55.05511	3.8
56.05030	9.6
56.96562	23.0
57.03426	3.6
58.06572	3.4
60.04520	7.0
61.02919	10.3
67.05527	2.4
69.03440	6.5
69.07063	5.5
70.03713	2.9
70.06580	4.9
70.07423	5.1
70.07844	8.1
70.98137	2.7
72.04505	4.2
72.08139	4.9
72.93768	3.3
73.02914	4.2
74.06088	3.6
79.05472	2.7
81.03402	7.1
81.35374	2.3
82.06577	6.0
82.07458	2.3
83.04971	8.6
84.04499	100.0
84.06937	2.7
84.08133	11.5
84.96037	4.0
85.02901	25.2
85.04038	3.1
86.06064	6.8
86.09699	3.3
87.04474	4.8
97.02896	7.6
98.97565	12.4
100.07619	7.4
110.06062	5.3
111.04443	6.2
112.07618	3.1
113.07141	2.6
114.05540	3.0
116.05759	2.6
116.98609	12.4
119.01876	3.0
126.05492	5.7
128.07056	12.5
128.98657	3.3
134.99643	8.7
140.04550	3.1
142.08652	6.4
144.05247	2.8
146.08119	8.5
146.99628	4.3
157.04958	18.2
160.09688	8.3
161.01340	3.1
164.02222	2.8
170.05865	2.9
170.08145	5.5
177.00705	3.7
188.03166	12.0
188.07028	4.2
188.09175	12.1
188.10605	3.2
188.53809	2.3
189.05630	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	188.0336
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	2.6
55.05511	3.8
56.05030	9.6
56.96562	23.0
57.03426	3.6
58.06572	3.4
60.04520	7.0
61.02919	10.3
67.05527	2.4
69.03440	6.5
69.07063	5.5
70.03713	2.9
70.06580	4.9
70.07423	5.1
70.07844	8.1
70.98137	2.7
72.04505	4.2
72.08139	4.9
72.93768	3.3
73.02914	4.2
74.06088	3.6
79.05472	2.7
81.03402	7.1
81.35374	2.3
82.06577	6.0
82.07458	2.3
83.04971	8.6
84.04499	100.0
84.06937	2.7
84.08133	11.5
84.96037	4.0
85.02901	25.2
85.04038	3.1
86.06064	6.8
86.09699	3.3
87.04474	4.8
97.02896	7.6
98.97565	12.4
100.07619	7.4
110.06062	5.3
111.04443	6.2
112.07618	3.1
113.07141	2.6
114.05540	3.0
116.05759	2.6
116.98609	12.4
119.01876	3.0
126.05492	5.7
128.07056	12.5
128.98657	3.3
134.99643	8.7
140.04550	3.1
142.08652	6.4
144.05247	2.8
146.08119	8.5
146.99628	4.3
157.04958	18.2
160.09688	8.3
161.01340	3.1
164.02222	2.8
170.05865	2.9
170.08145	5.5
177.00705	3.7
188.03166	12.0
188.07028	4.2
188.09175	12.1
188.10605	3.2
188.53809	2.3
189.05630	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	188.0704
Annotation	N-Methylquinolinium-2-carboxylate
Peak:m/z	Relative Intensity
54.18973	0.4
60.34684	0.3
66.77422	0.4
68.44061	0.3
70.76901	1.1
82.06556	0.4
84.04500	2.7
91.05460	4.7
98.97526	0.4
101.88070	0.4
103.05450	0.7
115.05443	5.4
117.05743	1.2
117.07007	3.6
118.06528	66.5
119.06881	1.7
119.08637	0.4
132.08047	0.8
142.06503	6.1
143.07286	11.1
144.04399	0.7
144.08070	24.3
145.06537	0.7
145.08400	0.4
146.05992	100.0
147.06328	2.7
155.06039	0.7
160.07545	0.9
170.05995	8.8
188.07042	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	187.1479
Annotation	3,6-Dihydrochamazulene
Peak:m/z	Relative Intensity
50.44983	0.8
53.03925	1.4
54.24671	0.9
55.05490	2.7
57.07058	4.8
63.02352	1.0
67.05498	10.8
68.89954	0.9
69.03415	4.6
69.07059	4.5
71.52998	0.9
79.05476	7.5
81.03413	4.9
81.07047	6.3
83.08594	1.7
84.04469	3.2
85.02885	3.4
85.03664	1.0
88.02216	4.3
91.02583	0.8
91.05469	24.4
93.07030	6.9
95.04985	1.3
95.08614	5.5
97.02857	1.8
98.06023	0.8
99.04425	2.0
103.05468	1.3
105.07018	22.7
107.08582	4.2
109.02875	1.9
109.10123	1.3
115.05432	3.6
116.06225	1.5
117.07001	24.3
119.08563	19.7
121.10140	3.3
127.03939	1.8
128.06181	1.7
129.06949	4.5
130.07791	5.5
131.04912	3.0
131.08551	65.2
132.08905	1.2
133.10107	5.6
141.07013	1.4
143.04915	1.5
143.08519	3.9
144.09288	3.4
145.10101	100.0
146.10455	2.0
150.14578	0.9
157.10114	1.8
158.10895	1.1
159.06898	2.1
159.08089	1.1
159.11682	14.2
169.10103	1.7
172.37602	0.9
185.13283	1.2
187.03847	6.3
187.06163	1.4
187.07747	2.4
187.11227	7.5
187.14792	88.5
188.09209	1.7
188.15155	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	187.148
Annotation	3,6-Dihydrochamazulene
Peak:m/z	Relative Intensity
53.03923	3.4
55.05492	2.9
57.07053	5.0
67.05485	8.2
69.03436	10.3
69.07038	3.4
69.62443	13.0
79.05474	7.4
81.03411	16.9
81.07061	8.9
83.08608	5.7
84.04492	10.2
85.02890	6.3
88.02191	9.0
91.05471	21.5
93.07047	10.4
95.04941	2.2
95.08582	5.5
103.03271	2.3
105.07027	23.5
107.08582	5.3
109.02840	2.2
115.05437	7.7
116.06206	3.2
117.07001	20.5
119.08575	16.9
121.10101	2.2
126.05466	2.7
127.03889	3.2
127.05827	3.0
128.06227	3.5
129.06975	7.9
130.07747	4.3
131.04924	8.6
131.08562	63.6
133.10110	5.9
141.06949	2.3
143.04837	2.5
143.08575	3.6
144.09344	3.1
145.10112	100.0
146.10516	2.4
157.10092	3.4
159.06891	2.3
159.08040	3.6
159.11690	18.0
172.08859	2.4
173.00810	2.3
187.03807	16.5
187.06161	2.6
187.07617	4.8
187.11241	12.9
187.14798	87.7
188.09172	2.0
188.15230	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	187.1326
Annotation	(3S)-6-Hydroxy-3-isopropenyl-heptanoate
Peak:m/z	Relative Intensity
53.03939	4.3
55.01867	1.9
55.05507	7.4
56.05033	2.4
57.03424	1.0
57.07071	3.1
59.04990	3.3
59.06104	1.3
61.02906	1.3
65.03897	1.0
66.08048	0.9
67.05498	8.8
69.03427	7.4
69.07060	25.5
69.65490	2.3
69.65893	6.2
70.06581	3.9
70.79961	1.1
71.04979	25.2
72.08152	2.7
73.06554	1.5
79.05484	21.8
80.05840	1.1
81.03416	12.4
81.07047	100.0
82.06554	1.3
82.07372	1.9
83.04971	6.5
83.08607	2.1
84.04498	10.4
84.08134	50.8
85.02877	6.0
85.06541	2.6
85.08465	2.9
86.09698	29.8
87.08088	1.2
87.10022	1.7
88.02200	3.9
91.05482	6.0
93.07033	5.4
95.04955	3.3
95.08580	3.4
96.08131	1.2
97.02875	2.2
97.06510	7.2
97.10180	1.5
98.20769	1.9
99.04448	3.2
99.08075	4.9
99.31384	1.0
103.05415	1.4
105.07042	5.0
107.08578	12.0
109.02875	2.5
109.06486	3.7
109.10149	19.6
111.08077	4.1
111.11720	7.1
113.06032	1.3
115.05465	4.3
117.06995	1.6
121.10120	3.0
123.11685	16.6
126.05507	2.0
127.03927	2.7
127.07519	1.7
127.11199	1.0
128.06186	1.9
129.06967	1.6
129.10231	6.0
131.04933	6.2
131.08507	6.6
133.10138	2.6
139.11140	6.0
141.06946	2.8
142.08607	1.4
143.04857	1.4
143.08517	1.2
144.05695	4.6
144.09238	1.2
145.06422	1.2
145.10109	5.0
146.03151	1.1
147.11304	3.6
151.11153	10.2
154.07748	1.3
157.12250	3.1
159.04471	1.4
159.08034	3.9
159.11697	2.8
160.07494	1.4
169.10178	1.0
169.12271	4.9
172.05122	2.4
172.08807	1.9
187.03854	11.4
187.06029	2.1
187.07466	11.2
187.11063	10.3
187.12602	1.3
187.14755	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	186.9913
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	0.6
55.01864	1.6
55.05508	1.4
55.93521	0.6
56.05038	0.8
56.96561	100.0
57.03432	1.3
57.04558	0.8
57.07062	0.4
58.06597	2.7
58.96162	0.4
58.99860	0.4
59.05012	0.3
59.06120	0.5
60.04523	2.0
60.95837	0.4
61.01152	1.2
61.02918	0.3
67.05504	1.3
69.03426	3.9
69.07078	0.5
70.02916	0.4
70.06589	2.8
70.98116	4.7
71.01362	0.4
71.04970	0.7
71.52145	0.6
71.95266	1.9
72.04519	1.9
72.08150	4.9
72.93782	0.4
72.96050	0.6
73.02917	1.3
73.08443	0.5
73.94571	0.4
74.06099	0.4
74.97605	5.3
77.00906	0.4
78.75340	0.3
79.05487	0.7
81.03412	4.7
81.07066	1.1
81.20927	0.4
82.06583	0.5
83.04986	1.1
83.06098	0.5
83.08627	0.5
83.97621	0.4
84.04501	1.5
84.08134	11.4
84.96028	4.3
85.02903	3.3
85.08474	0.4
86.06072	0.4
86.09724	1.2
86.97607	0.9
88.02229	1.1
88.99153	3.9
90.94856	0.5
91.05473	0.7
92.98647	1.0
93.07050	0.7
93.59151	0.4
95.04996	1.2
96.04513	0.4
97.02877	3.5
97.06528	0.3
97.99186	1.2
98.06075	0.4
98.48743	0.3
98.97578	9.1
99.04480	1.1
100.02491	0.9
100.07617	2.2
100.99133	2.4
101.00880	2.3
102.97099	0.4
103.00660	1.3
103.02460	0.8
103.05482	0.7
105.07069	0.6
107.00185	2.2
107.04949	0.4
109.02875	2.0
109.10204	0.4
110.97603	1.3
111.04421	0.5
112.08707	0.4
112.95454	0.4
113.10743	3.1
114.09156	14.3
115.00703	0.8
115.01493	0.4
115.02390	0.8
115.03191	0.4
115.05492	1.0
115.08723	0.6
116.00272	0.4
116.07128	0.4
116.98611	10.7
117.03973	0.8
117.07028	0.6
118.03536	0.9
119.00157	2.4
119.01906	12.2
120.01987	1.8
120.03316	0.6
120.98125	0.6
121.01653	9.5
121.03520	0.6
122.01186	0.5
122.01931	2.3
124.52586	0.7
124.99149	0.4
125.01190	0.4
125.90730	0.4
126.97050	1.3
127.03973	1.0
127.08661	0.5
127.12312	4.7
128.08293	0.6
128.98598	3.2
129.10262	1.5
129.69640	0.3
130.00333	0.4
130.08641	1.7
130.96530	0.8
131.01918	2.0
131.04909	2.6
131.08566	0.9
131.11795	3.7
132.05177	0.4
133.00775	0.7
133.01683	3.4
133.03496	1.3
133.53038	0.4
134.01318	0.4
134.03017	0.4
134.99641	11.8
135.00665	0.7
135.03203	0.5
137.02942	5.2
138.03041	0.6
139.00835	0.8
139.02675	4.2
140.03142	1.2
142.03513	0.7
142.08635	3.9
142.53557	0.4
143.00197	0.6
143.01863	0.6
143.03629	0.7
143.04948	0.6
144.03276	1.4
144.05106	1.0
144.98067	5.6
144.99866	0.5
145.01648	0.6
145.03485	4.4
146.99643	4.5
147.03253	0.9
148.01369	0.6
148.97581	2.6
148.99400	0.4
149.01253	0.9
150.00729	0.5
151.02748	0.8
151.99773	0.5
153.00722	2.3
153.01794	0.4
155.04697	1.0
156.11337	1.5
157.01663	0.5
157.03485	0.7
158.00069	0.4
158.01216	0.7
158.99622	2.7
159.08128	1.1
159.11617	0.6
160.04637	0.7
161.00255	1.2
161.01256	1.6
161.02972	1.4
161.04819	0.8
161.06674	0.4
162.04289	1.7
162.97076	0.6
162.99135	15.3
163.02718	2.5
163.04547	1.6
164.02213	0.5
165.00775	1.3
165.04280	0.5
166.98610	2.4
169.04877	0.6
170.08134	0.6
170.11790	5.9
170.12987	1.4
171.05042	0.6
173.00935	0.9
173.02982	0.5
174.04327	0.3
175.02899	0.8
175.04485	0.7
177.00699	6.8
177.02196	0.4
177.04248	0.4
179.02356	1.0
180.05312	0.4
181.00197	10.2
181.03729	0.5
182.04062	0.5
183.05095	0.4
185.02946	0.4
186.00784	0.7
186.97617	0.4
186.99255	1.0
187.02666	0.7
187.04085	4.0
187.05966	1.0
187.07747	1.7
187.11028	1.8
187.14417	4.3
187.15894	4.5
188.04391	0.4
189.04442	0.4
189.06104	0.4
195.01825	0.7
199.01224	1.8
201.06093	0.6
203.04149	0.4
204.01828	0.6
205.00276	1.4
205.03763	1.1
205.05482	0.8
206.03256	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	184.0729
Annotation	O-Phosphocholine
Peak:m/z	Relative Intensity
56.05025	1.3
58.06597	0.5
60.08157	19.0
70.06583	0.4
70.13779	0.9
70.14191	1.1
71.07366	11.3
71.95261	1.3
86.09696	100.0
87.10030	1.1
95.13857	0.3
96.59621	0.4
98.98457	19.2
101.95015	13.8
104.10735	5.6
106.03704	0.6
119.96053	8.5
124.07590	0.5
124.99988	81.8
126.00352	0.5
137.97081	10.4
137.98090	0.8
138.09077	0.4
142.97697	0.8
143.01033	1.5
155.98138	4.3
160.98660	2.9
166.02661	0.5
178.99745	1.3
184.07321	85.7
185.07719	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	185.0808
Annotation	2,3-dimethoxy-5-methylhydroquinone
Peak:m/z	Relative Intensity
53.03932	1.1
55.01859	1.0
55.05507	2.6
56.05007	0.5
56.96535	0.3
57.03432	16.6
59.04993	2.4
59.06120	0.9
60.04522	0.4
61.72358	0.4
67.01855	1.1
67.05482	1.7
68.05030	0.4
68.99778	1.2
69.03154	0.3
69.03423	4.2
69.07070	1.9
70.06579	1.0
71.04974	1.6
71.52681	0.5
72.04499	0.4
72.08134	2.7
73.87952	0.4
79.05486	10.4
81.03394	1.1
81.07040	6.8
83.01314	0.5
83.04968	3.3
83.06084	0.5
84.04504	1.0
84.08125	0.4
85.02893	1.9
85.06501	1.8
86.06107	0.4
86.06638	0.3
86.09693	4.5
87.04435	0.4
87.05610	0.4
89.03904	1.4
91.05486	2.2
93.03383	0.5
93.07020	2.0
95.01310	0.9
95.04948	1.7
95.08578	1.3
96.05721	0.5
97.02901	0.9
97.06526	5.5
97.07563	0.6
98.06061	0.6
99.04448	2.7
99.05562	0.5
103.05420	0.5
105.07043	0.5
107.04070	0.4
107.04940	1.9
107.08604	1.8
108.05721	1.2
109.02827	0.6
109.06505	1.8
109.07653	0.6
109.10097	0.5
110.03644	0.9
110.06033	0.4
111.04431	33.7
111.08063	6.0
112.04761	0.7
112.07589	0.4
113.02339	0.5
114.05518	1.5
115.07528	0.7
116.98576	0.6
117.03352	2.1
119.01888	0.4
121.00749	0.7
121.06534	0.9
121.10101	2.5
123.08073	2.6
123.11684	0.9
125.02346	10.1
125.05979	12.2
125.09630	0.5
126.05496	1.0
127.03916	5.6
127.08685	1.1
128.06216	0.8
129.06992	1.0
135.04381	1.2
139.01778	0.9
139.03925	0.5
139.07527	10.1
139.11160	1.4
140.06976	0.5
140.07957	0.5
141.06966	0.4
142.02596	0.7
142.07762	0.9
143.03386	0.4
143.07054	0.4
143.08492	0.9
145.02869	3.0
149.05916	0.6
149.09610	0.8
153.05476	1.1
156.04161	11.5
157.05032	0.4
157.06541	0.6
157.10121	1.7
158.06018	0.8
163.01778	0.9
167.07033	1.3
167.10695	0.9
168.07716	0.6
168.11375	0.6
170.10925	0.9
181.02855	1.9
185.08078	100.0
185.13326	1.6
186.05466	1.1
186.08614	2.2
198.61575	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	185.0807
Annotation	4-Hydroxy-3,5-dimethoxybenzyl alcohol
Peak:m/z	Relative Intensity
51.02381	1.4
53.03929	3.3
55.01865	3.3
55.05510	6.8
56.05015	2.7
56.96547	3.3
57.03420	2.1
58.06594	1.6
59.06109	3.7
60.04499	1.2
61.02912	1.4
65.03919	1.3
67.05483	2.7
68.05025	1.6
69.03433	4.7
69.07041	3.9
70.06598	5.1
71.04979	3.5
71.08635	1.0
71.43759	1.7
72.04486	1.5
72.08153	14.9
72.93798	1.0
73.02906	2.1
79.05488	12.8
81.03410	2.7
81.07050	2.7
81.70403	1.0
82.06586	1.4
83.04972	2.9
83.06088	6.6
84.04491	2.9
84.08132	2.3
85.02899	6.5
85.06522	1.2
85.07658	1.7
86.09702	12.5
91.05474	10.8
93.04519	1.2
93.07027	11.0
94.06558	1.6
95.04976	8.0
95.06029	1.1
95.08563	2.0
97.02883	3.3
97.06519	3.1
97.07641	2.3
98.05997	1.7
98.97569	2.7
99.04452	1.1
99.05617	2.2
103.05463	3.3
105.03395	1.2
105.04510	2.0
106.04189	2.4
107.04948	49.3
107.08565	1.7
109.02863	1.4
109.06525	1.0
109.07607	3.8
109.10255	1.1
110.06025	1.3
110.06380	1.3
110.07162	26.8
111.04432	2.7
111.08088	1.7
111.09191	3.0
114.05516	7.5
116.98580	2.1
118.03519	1.1
119.01920	5.6
120.02021	3.2
121.00789	2.2
121.01649	2.2
121.06503	16.9
121.07450	1.7
121.10117	2.5
123.08049	1.5
123.09171	1.1
124.05198	1.6
125.02321	1.9
125.05979	2.7
125.07119	1.1
125.09624	1.9
126.05489	4.2
126.10198	1.0
127.03928	2.5
127.08688	2.6
129.06992	1.8
129.10275	1.1
134.99681	2.5
135.04396	42.5
136.04771	1.2
137.02989	2.2
138.03029	1.8
138.06555	1.7
139.01793	3.7
139.03799	1.7
139.07487	2.6
139.08525	1.1
139.11192	1.4
140.07019	1.5
142.02530	1.4
142.07753	2.0
142.09680	1.3
143.03444	1.2
143.08546	1.1
144.03210	1.0
146.99641	1.4
149.05974	3.0
151.07529	2.1
152.04681	23.9
153.05467	2.2
154.05823	2.0
157.03549	1.3
157.04947	2.5
157.06329	0.9
157.10117	1.3
160.04558	1.3
161.02924	2.0
162.04308	1.7
162.05501	2.3
163.01793	3.0
167.07022	100.0
168.07518	3.3
168.11328	3.5
179.00189	1.2
181.02875	9.8
185.04391	4.1
185.05872	1.9
185.10654	1.8
185.14009	1.8
186.07695	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	183.1379
Annotation	Chrysanthemyl acetate
Peak:m/z	Relative Intensity
51.74869	2.1
52.74121	1.9
53.03941	19.9
55.01867	35.1
55.03522	2.0
55.05504	18.8
56.25768	1.9
56.96553	3.5
57.03431	11.1
57.07064	10.0
58.51868	1.9
59.04996	3.7
59.06108	7.6
65.03932	4.5
67.05497	60.3
69.03425	14.0
69.07050	18.1
69.89572	2.2
70.06587	2.3
71.04987	10.5
71.52522	2.4
79.05479	17.4
81.03415	6.8
81.07051	100.0
83.05000	3.7
83.06091	3.6
83.08597	10.0
85.02909	5.7
85.06534	32.2
86.08427	2.3
91.05473	13.7
93.07040	16.3
95.04960	96.6
95.08602	60.5
97.02873	4.2
97.06522	6.4
97.07630	3.5
97.10170	6.4
97.99966	1.9
98.98459	47.3
99.04443	11.5
99.05553	2.6
99.08089	4.2
101.95036	17.6
105.03377	55.4
105.04504	8.1
105.07021	39.3
107.08590	26.9
108.08894	2.5
109.02863	3.4
109.06503	11.4
109.10145	32.0
111.04448	4.9
113.05997	10.6
113.09665	2.7
119.01915	6.0
119.08572	15.2
119.96046	12.5
121.10123	21.2
123.04424	72.7
123.05396	3.6
123.08057	8.1
123.11694	95.0
124.05171	5.9
124.08709	5.9
124.12100	2.5
125.02342	4.8
125.05952	5.9
125.07108	7.1
125.09615	61.7
127.01572	6.4
127.07519	6.2
133.02841	5.0
137.02995	3.5
137.05956	11.4
137.09590	6.3
137.13226	15.8
137.97092	17.5
139.07555	6.6
140.04692	31.4
141.05418	5.0
141.06880	3.0
142.03520	5.5
147.11671	51.9
153.05441	3.6
153.06998	6.2
155.07069	17.4
155.08557	13.8
155.96901	2.2
155.98134	9.2
160.04544	7.1
160.98717	4.4
165.05481	7.7
165.09091	4.6
165.12750	23.1
167.08627	3.6
168.04129	2.0
168.09331	12.9
175.67865	2.1
178.05579	4.4
183.02937	4.7
183.06512	16.0
183.08060	6.8
183.10106	3.9
183.11694	23.7
183.13786	4.8
184.09732	2.6
186.01619	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	183.0614
Annotation	Unknow
Peak:m/z	Relative Intensity
54.46856	0.4
54.98759	0.4
56.05025	0.6
57.03187	0.5
60.66628	0.5
69.87684	2.5
82.99844	1.2
83.06091	1.4
95.04922	0.7
100.02490	1.7
101.00194	1.1
101.00868	21.3
102.00865	0.7
102.65070	0.6
105.03345	0.6
118.03504	4.2
119.01912	100.0
120.02004	0.6
123.04444	0.7
124.02393	2.7
131.01933	0.6
136.04585	2.5
137.02946	32.8
142.03484	38.3
143.03598	1.2
159.06116	1.2
160.04546	37.2
161.02953	7.0
161.04236	0.9
165.05080	1.1
175.06490	0.5
175.08461	0.5
177.01031	2.8
178.05594	11.9
178.49576	1.0
179.03999	9.2
179.05595	0.8
183.06178	2.4
184.04613	0.8
198.70642	0.6
201.07236	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	183.1379
Annotation	Methyl geranate
Peak:m/z	Relative Intensity
51.02357	1.6
52.15561	1.4
53.03944	11.1
55.01862	47.4
55.05502	13.8
56.96553	2.7
57.03428	10.0
57.07072	14.9
59.04972	2.1
59.06112	4.3
65.03927	4.8
67.05495	58.3
68.05008	1.9
69.03067	1.4
69.03419	10.4
69.07054	22.8
70.06586	2.0
71.04980	15.2
71.52644	1.9
79.05483	13.3
80.28558	1.5
81.03400	3.1
81.07044	53.9
83.04972	7.9
83.06073	3.5
83.08617	6.5
85.02909	2.3
85.06002	2.8
85.06532	49.6
90.69332	1.5
91.05476	9.9
93.07022	11.7
95.04954	59.2
95.08594	56.1
97.02885	3.7
97.06511	7.2
97.07626	3.5
97.10161	7.0
98.98457	23.8
99.04419	8.4
99.05545	2.4
99.08077	5.3
101.95006	6.9
105.03381	39.5
105.04514	5.1
105.07018	19.0
107.08587	33.3
109.02835	4.1
109.06465	12.2
109.07639	2.5
109.10137	49.5
111.08071	5.7
112.08711	1.5
113.05972	13.2
113.09579	1.6
119.01897	4.4
119.08578	9.7
119.96024	3.1
121.10163	8.4
123.04414	40.2
123.08031	10.3
123.11688	14.9
124.05136	2.3
124.07587	2.7
124.08695	2.5
125.02357	3.0
125.05995	3.1
125.07076	4.0
125.09612	100.0
126.09980	2.5
127.01568	4.4
127.07528	5.2
133.02831	3.9
137.05959	6.9
137.09602	5.6
137.13248	15.6
137.97112	4.8
139.07513	3.1
140.04678	18.1
141.05481	2.8
141.06816	2.1
142.03447	2.0
142.07802	2.1
147.11647	16.4
153.06958	4.2
155.04718	2.0
155.07060	9.3
155.08429	9.2
155.98111	2.4
160.04453	2.6
161.02937	2.0
165.05473	3.7
165.06845	1.7
165.09094	4.3
165.12730	14.5
168.09332	10.3
183.02895	3.5
183.06487	10.0
183.08032	4.6
183.09358	2.6
183.09995	2.1
183.11525	11.7
183.13762	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	182.1538
Annotation	(+)-Myrioxazine B
Peak:m/z	Relative Intensity
51.75109	0.5
53.03933	1.6
55.01857	0.9
55.05508	8.1
57.03426	1.1
57.07056	2.6
57.54368	0.6
58.02958	36.8
58.32025	0.8
62.42335	0.6
67.05500	26.5
69.03418	1.4
69.07063	74.3
69.92847	2.2
69.93264	1.4
70.06573	2.9
70.07381	1.0
71.04975	0.8
71.08612	1.2
74.06065	1.1
79.05480	7.0
81.07050	24.0
82.06580	1.0
83.04966	1.6
83.08609	8.2
84.08133	10.1
86.06050	1.8
91.05475	4.8
93.07041	13.1
95.04948	3.0
95.08591	7.4
96.08102	0.9
97.06503	3.6
97.10169	0.6
98.06044	3.4
98.09675	1.1
98.21391	0.9
98.97574	2.1
98.98480	0.9
100.07620	7.5
105.03358	1.1
105.07024	15.8
107.08585	19.9
109.06504	2.9
109.10148	55.9
110.10464	1.3
111.04333	0.7
112.07594	2.6
114.09151	13.7
116.98611	1.9
119.08553	2.0
121.10122	2.0
123.04430	1.3
123.08111	1.0
123.11702	9.5
126.09155	14.7
126.12770	1.9
133.10121	31.6
134.10458	1.3
134.99542	0.7
135.11681	20.3
136.07520	0.9
137.13243	0.9
138.12764	23.6
140.10658	1.5
140.14287	1.1
147.11661	5.4
148.72163	0.6
151.11169	11.6
153.12747	11.5
154.15889	1.6
164.14383	2.2
165.12704	3.2
182.04428	0.8
182.15390	100.0
183.15688	2.9
190.97922	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.1221
Annotation	Limonenecarboxylic acid
Peak:m/z	Relative Intensity
53.03936	1.6
53.20151	1.3
55.01857	1.8
55.05502	4.1
56.96558	3.3
57.07069	22.7
59.04994	2.1
65.03935	2.0
69.07053	3.4
71.53744	1.4
72.74050	1.4
74.68048	1.5
79.05496	10.1
81.03400	4.5
81.07046	6.9
83.04974	50.7
89.04012	1.5
91.05473	5.1
93.07019	7.5
95.04951	17.7
95.08566	1.9
97.06524	23.4
98.97565	10.0
105.07005	5.4
107.04968	2.9
107.08585	10.8
109.06507	2.3
111.04391	2.3
116.97216	1.5
116.98599	14.8
117.07079	2.1
119.08557	4.1
121.06494	2.9
121.10130	14.5
123.08096	1.9
125.05986	67.1
134.99646	16.6
135.04401	2.4
135.08069	2.3
135.11678	6.0
136.07567	1.7
139.03920	2.2
140.00220	2.3
145.10141	10.2
153.00694	4.5
158.01221	3.4
161.61507	1.6
163.03873	2.6
163.11165	100.0
165.99223	1.5
181.04962	7.1
181.06416	3.1
181.08598	3.7
181.10030	3.0
181.12207	31.2
182.00978	1.6
182.05688	2.0
182.08067	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	182.0812
Annotation	3-Hydroxy-L-phenylalanine
Peak:m/z	Relative Intensity
51.02400	0.8
53.03967	2.9
55.01897	2.3
55.05532	1.9
56.05046	1.3
56.96558	10.6
57.03446	1.3
59.06147	1.2
59.17965	0.6
65.03964	1.8
67.05508	3.3
68.05048	2.3
69.03125	0.6
69.03454	2.8
69.07092	1.0
70.06604	2.8
70.43832	1.5
72.04532	1.3
72.93797	0.8
73.02921	1.3
78.95312	0.9
79.05525	2.3
80.05039	1.9
80.05818	0.8
81.03430	2.3
81.04576	1.0
81.07086	2.9
82.06596	1.0
83.04988	0.9
83.06140	0.9
83.86244	0.6
84.04489	1.0
84.08154	1.4
84.96057	1.6
85.02930	2.6
86.06086	0.9
90.54855	0.7
91.05473	36.6
92.05812	1.2
93.07063	2.4
94.04218	0.8
94.06570	5.6
95.01326	5.6
95.04964	18.2
95.06107	1.9
95.07326	0.9
96.04497	0.9
96.08111	3.1
97.02914	2.7
97.07676	1.6
98.06039	1.3
98.21506	0.8
98.97580	8.2
98.98481	2.2
99.04453	0.8
100.02499	0.8
102.02220	0.8
103.05468	1.1
105.03395	4.4
105.04511	1.0
107.04942	6.7
108.04527	1.5
108.05267	1.9
108.08112	6.3
109.02880	0.8
109.06538	3.9
109.07674	1.6
110.01340	1.1
110.06014	4.3
110.97652	0.8
111.04480	0.9
111.05596	1.0
112.07603	5.1
112.55722	0.9
113.05889	4.4
113.56116	0.8
116.00248	1.0
116.98602	8.5
117.98109	0.7
117.98994	1.3
118.03556	1.1
118.06532	2.7
119.01884	5.1
119.04938	35.1
119.97893	1.5
120.08092	1.3
121.06522	1.6
122.06020	17.3
122.07091	2.1
123.04419	32.2
123.05469	2.0
123.06802	8.7
124.05245	0.9
124.07581	2.9
124.08482	0.7
125.06074	0.9
125.07116	1.2
126.05511	1.0
127.05653	0.9
128.02335	1.5
128.98538	1.1
131.01913	1.8
133.02779	1.0
134.01213	1.3
134.99641	6.9
135.06738	0.8
135.56976	6.4
135.99985	2.6
136.07567	100.0
137.02904	2.2
137.05936	2.7
137.08154	1.5
138.09132	1.3
139.07567	3.1
140.04665	2.2
140.07050	6.8
140.08180	2.1
141.01852	1.1
141.05457	1.0
142.03482	1.9
143.01866	0.8
146.99664	1.6
147.03200	1.1
147.04396	10.8
149.03000	0.7
150.05476	1.7
152.06985	0.8
152.16331	0.6
153.00676	1.4
153.05432	0.9
154.08568	4.4
155.07031	1.2
158.02968	1.0
158.99600	1.5
159.05037	0.9
160.04533	2.3
163.96806	0.8
164.07024	10.9
164.08202	1.0
165.04156	1.1
165.05460	13.1
165.09006	0.9
166.98546	1.9
171.03181	0.7
173.02850	1.2
177.00639	4.6
177.04102	0.7
178.05504	0.9
182.00874	1.8
182.04256	3.0
182.08072	31.1
183.06378	1.8
193.89081	0.7
195.01656	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.1221
Annotation	Limonenecarboxylic acid
Peak:m/z	Relative Intensity
53.03920	2.1
55.01844	1.9
55.05490	3.1
55.23495	1.1
56.96540	2.1
57.03418	1.7
57.07071	21.9
59.04985	3.1
64.78949	0.9
67.05496	2.7
69.03410	2.2
69.07053	4.4
69.83955	1.0
69.87479	3.3
69.87885	2.2
72.39822	1.0
79.05480	11.7
81.03415	6.2
81.07046	5.2
83.04974	51.0
89.43436	1.1
91.05449	3.9
93.07039	9.1
95.04962	19.6
95.08591	1.6
97.06524	25.0
98.97579	10.3
102.55081	1.1
105.07015	5.7
107.04930	4.2
107.08582	12.3
111.04414	2.2
116.98610	14.3
117.06987	3.9
119.08548	3.6
120.36225	1.2
121.06499	4.3
121.10133	10.5
123.08079	1.5
125.05988	65.6
126.06351	1.7
130.07773	3.0
131.54968	1.0
134.99640	19.9
135.04398	3.1
135.08032	1.8
135.11656	6.8
139.03888	1.8
139.72179	1.1
140.00227	1.5
145.10121	11.1
151.07533	1.9
153.00688	4.4
153.05482	2.0
158.01215	3.4
163.03876	2.8
163.11166	100.0
164.11516	2.5
166.07748	1.8
181.04919	7.3
181.06369	1.6
181.08636	2.1
181.10483	2.3
181.12212	30.5
181.25531	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.0702
Annotation	ETHYL BENZOYLFORMATE
Peak:m/z	Relative Intensity
51.02364	0.5
53.03714	0.3
53.03942	4.5
55.01867	1.6
55.05497	0.5
55.62967	0.2
56.05034	0.3
57.03432	17.0
57.07076	0.3
64.26198	0.2
65.03939	0.3
66.98361	0.3
67.05485	1.2
68.05008	0.3
68.99755	0.3
69.03410	0.8
69.04573	0.3
69.07059	0.6
77.03908	1.2
79.05486	20.5
80.05820	0.3
80.91080	0.3
81.03403	0.6
81.07057	2.0
83.04918	0.3
83.06078	0.4
91.05476	5.2
93.07030	1.4
95.04960	8.7
95.06066	0.7
95.08606	2.0
103.05425	0.5
105.03383	100.0
105.04518	2.9
105.07012	3.9
106.03718	2.1
107.04934	0.5
107.06070	0.2
107.07962	0.2
107.08567	1.5
108.04482	0.4
108.05646	0.3
109.06503	1.1
109.10149	0.8
115.05446	0.3
117.07018	0.4
118.04131	0.4
119.04926	4.2
119.08568	2.8
120.05585	0.3
121.06503	1.0
121.10137	1.0
123.04420	17.5
123.08052	1.6
124.04739	0.3
129.64142	0.3
131.08548	0.4
133.02826	0.5
133.06514	1.9
133.10114	3.4
134.05951	0.3
134.07014	0.4
135.11681	0.8
136.05165	1.0
137.05972	1.1
137.08209	1.8
137.09581	0.7
138.06613	0.3
139.07327	0.3
146.03601	0.3
146.07245	0.4
147.03262	0.4
147.04396	5.7
149.05995	0.3
151.03859	0.6
151.07515	2.4
151.11198	0.5
152.07027	0.3
152.08185	0.3
153.71642	0.3
154.55275	0.2
161.05959	2.2
161.09621	1.0
161.13211	1.6
164.08290	0.4
179.03413	2.9
179.07037	16.7
179.09129	0.6
179.10509	2.3
179.12930	0.4
179.14290	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	181.122
Annotation	3-tert-Butyl-5-methylcatechol
Peak:m/z	Relative Intensity
50.22706	1.3
52.73805	1.3
52.79427	1.2
53.03922	2.2
55.05507	41.8
56.96549	6.8
57.03438	1.4
57.07076	14.5
57.93663	1.4
65.03941	1.5
67.05499	16.8
69.03413	3.1
69.07050	4.6
70.84424	3.1
71.04980	2.4
79.05490	11.4
81.07050	14.3
83.04975	18.4
83.38007	1.4
85.06525	5.5
91.05475	13.8
93.06483	2.2
93.07037	32.8
95.04960	7.9
95.08599	23.4
97.06522	17.9
98.97576	30.7
105.07017	13.0
107.04952	2.9
107.07876	2.2
107.08585	40.2
109.06516	9.0
109.10131	3.6
111.04433	100.0
111.08056	12.1
112.04813	1.5
113.05988	4.4
113.52252	1.3
115.05468	1.3
116.16700	1.4
116.98605	22.7
117.06995	4.4
119.06047	1.5
119.08571	4.9
121.06509	7.1
121.10112	3.6
122.07300	2.0
123.08043	3.3
125.05981	73.2
127.07543	4.2
130.07768	3.6
134.99641	12.2
135.08049	28.9
135.11682	27.8
138.06769	5.3
139.07506	2.5
140.00182	1.9
145.10124	23.9
153.00613	1.8
153.12723	8.2
163.11186	19.0
167.12370	1.2
181.04889	2.1
181.12218	56.6
182.12598	1.8
198.05746	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.1221
Annotation	Limonenecarboxylic acid
Peak:m/z	Relative Intensity
51.74824	1.1
53.03936	2.8
55.05231	2.1
55.05503	42.7
56.75030	1.1
56.96556	2.4
57.07063	12.9
65.03931	1.7
67.05499	11.0
69.03413	2.2
69.07056	4.5
71.26252	2.6
79.05492	10.4
81.07048	12.1
83.04968	16.8
85.06519	5.1
91.05470	9.0
93.07034	26.9
95.04962	4.0
95.08598	14.3
97.06508	10.9
98.97578	23.3
105.07021	10.6
107.04933	2.5
107.08578	31.0
109.06517	6.5
109.10173	3.5
111.04428	100.0
111.08065	7.9
112.04788	1.9
113.05996	5.6
115.05450	1.6
116.98605	18.5
117.06996	2.9
119.08562	4.3
121.06474	4.2
121.10115	5.1
122.07270	2.8
123.08063	2.8
125.05972	45.6
126.06302	1.1
127.07519	2.9
130.07793	2.6
134.99617	9.8
135.08038	26.1
135.11670	21.3
138.06744	2.6
140.00142	2.3
145.10110	17.3
153.12729	5.6
158.01241	1.5
163.11156	16.1
181.12221	33.5
182.12476	1.5
184.90341	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.0702
Annotation	ETHYL BENZOYLFORMATE
Peak:m/z	Relative Intensity
50.01579	0.3
51.02365	0.6
53.03945	4.1
54.02404	0.3
55.01868	0.5
57.03435	16.6
57.43509	0.2
61.91530	0.3
69.76165	1.2
77.03924	1.3
79.05489	20.4
80.05809	0.3
91.05463	1.2
93.07044	0.5
93.85708	0.3
95.04374	0.5
95.04961	7.3
99.46235	0.3
105.03386	100.0
105.07005	1.1
106.03724	2.1
107.08572	0.9
119.04910	0.5
123.04420	16.3
129.68802	0.3
133.10100	2.3
147.04320	0.4
161.09607	0.8
179.03523	0.4
179.07024	12.6
179.10608	2.3
191.90280	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.1272
Annotation	11,12,13-Trinor-6,9-eremophiladien-8-one
Peak:m/z	Relative Intensity
53.03936	3.1
55.01870	5.8
55.05511	6.2
56.96547	2.0
57.03425	1.6
57.07064	1.2
60.32904	0.9
60.57110	0.9
63.02352	0.9
65.03935	2.6
67.05497	24.4
69.03413	1.4
69.07066	10.8
69.34930	7.7
78.04695	2.1
79.05486	34.8
81.03403	5.4
81.07050	38.0
83.04970	4.0
83.08601	5.0
85.06541	1.4
85.24014	0.9
88.02228	1.2
89.03912	10.5
91.05475	51.5
92.05822	1.9
92.79613	0.9
93.07036	53.6
95.04971	11.8
95.08601	13.0
97.06516	8.2
98.20745	1.5
98.98463	18.6
102.04686	1.4
103.05464	9.5
104.06288	1.1
105.07026	21.7
106.04184	4.3
106.07329	1.3
107.04970	9.7
107.08590	26.3
109.06515	7.5
109.10146	2.7
111.08064	3.0
115.05446	13.6
116.06207	3.8
116.99495	1.0
117.03372	20.5
117.07010	41.9
119.04926	3.7
119.06023	1.4
119.08586	8.8
121.02891	2.3
121.03906	0.8
121.06498	34.8
121.09335	1.6
121.10139	22.4
122.06002	0.9
123.08039	1.6
129.06996	2.5
130.07845	1.0
131.01912	1.7
131.04916	24.0
131.07594	1.8
131.08556	30.5
132.05719	1.7
132.08923	1.2
133.06502	5.9
133.10121	33.1
134.03616	2.5
134.07234	3.3
135.04395	2.6
135.08044	10.9
135.11674	11.6
137.05962	1.5
144.05772	1.1
144.09302	1.9
145.02834	21.8
145.06512	6.8
145.07451	1.2
146.07253	91.3
147.04390	4.2
147.08078	8.5
148.08862	1.1
149.02266	5.9
149.05978	13.0
149.09605	10.0
149.13260	15.5
157.10127	1.9
159.04402	1.1
159.08018	1.4
159.11679	44.3
160.12016	1.6
161.06024	1.5
162.03111	2.9
162.06755	13.3
163.03865	1.8
177.04146	0.6
177.05495	19.4
177.07915	2.1
177.09096	88.5
177.12723	100.0
177.16171	6.7
178.05078	1.8
178.09650	1.9
178.13077	3.0
186.05605	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.1637
Annotation	Unknow
Peak:m/z	Relative Intensity
52.60447	0.5
53.00307	0.6
53.03928	1.9
55.01859	1.0
55.05507	6.5
57.07060	0.9
61.89644	0.5
63.02367	2.0
65.03932	2.1
67.05505	4.7
67.67953	0.6
69.03422	0.6
69.07065	15.8
70.12727	2.1
71.04973	0.6
74.58643	0.6
77.03910	0.5
78.04707	5.3
79.05485	10.4
79.46772	0.6
80.05872	0.5
81.07052	10.3
83.08611	9.2
89.03911	49.3
90.04250	1.3
91.04899	0.9
91.05470	17.0
93.03419	0.5
93.07036	23.7
95.04965	4.2
95.06039	0.5
95.08598	23.5
97.10152	2.0
98.21473	0.5
98.98460	10.1
103.05453	6.8
105.03404	1.1
105.04557	0.8
105.07018	8.3
106.04166	11.0
107.04942	1.4
107.08583	41.0
109.06512	1.5
109.07639	0.5
109.10145	8.4
115.05431	4.4
116.06253	1.3
117.03371	80.0
117.07007	8.6
118.03641	2.4
119.04935	2.0
119.06039	0.6
119.08588	3.2
120.08113	0.5
121.02856	0.7
121.06501	15.9
121.10133	59.4
122.10475	1.3
123.08067	1.0
124.05190	1.6
129.07036	0.7
130.04117	0.5
131.04913	8.4
131.08542	4.1
132.05719	0.6
133.06491	1.7
133.10126	1.6
134.03636	11.5
134.07289	1.1
135.04420	9.0
135.06485	0.5
135.08070	1.9
135.10699	0.8
135.11678	11.1
137.09460	0.9
144.09407	0.6
145.02832	100.0
145.06490	4.9
146.03148	3.8
146.07256	26.0
146.08415	1.3
147.04405	1.9
147.08148	2.5
149.02318	2.2
149.05966	32.8
149.09537	3.2
149.13248	3.3
150.06374	1.5
150.10210	0.4
157.37927	0.5
158.06035	1.7
159.08044	3.0
159.11641	2.6
161.05959	0.8
162.03136	4.8
162.06744	5.3
162.10338	0.5
163.03857	3.4
177.05464	37.9
177.09079	31.6
177.10776	0.8
177.11440	0.7
177.12691	6.0
177.16380	28.0
178.05841	1.8
178.09518	1.1
178.10852	0.5
178.16714	1.1
182.48772	0.5
186.05461	6.0
186.72620	0.5
187.05826	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.0545
Annotation	4-Methylumbelliferone
Peak:m/z	Relative Intensity
50.01595	0.5
50.42190	0.6
51.02525	0.5
53.03937	0.8
53.35191	0.4
55.01871	0.6
61.04077	0.4
63.02382	1.7
65.03917	0.7
66.44265	0.4
70.97077	1.3
77.03918	0.7
78.04706	3.4
79.05472	1.0
89.03910	52.1
90.04253	1.1
91.05473	4.6
93.07036	1.9
95.04965	1.5
98.98466	1.5
103.05470	3.3
105.07039	0.8
106.04169	4.7
107.04939	0.5
107.08545	1.1
108.05605	0.5
115.05438	1.0
117.03368	87.9
117.07005	2.0
118.03688	1.6
119.04951	1.2
119.08582	0.6
120.08087	0.7
121.06496	4.0
121.10128	1.3
124.05223	1.1
131.04903	2.1
133.06461	0.6
134.03624	13.1
135.04419	8.9
135.11687	1.0
144.09282	0.8
145.02831	100.0
146.03165	2.4
146.07263	7.3
147.04388	1.0
147.08011	0.5
149.05962	28.9
149.09625	0.5
150.06297	0.7
158.05992	0.9
159.11694	1.0
160.07588	0.6
162.01955	0.5
162.03088	2.8
162.06755	1.3
163.03905	3.9
177.05455	31.8
177.09074	6.8
177.12732	1.5
178.06044	0.6
182.12482	0.5
186.05501	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	177.0544
Annotation	4-Methylumbelliferone
Peak:m/z	Relative Intensity
50.01595	0.6
52.09340	0.3
53.03942	1.3
55.01860	0.7
55.05500	1.0
56.96553	0.4
62.01565	0.4
63.02377	1.4
65.03933	0.8
65.28743	0.3
67.05487	1.0
69.03428	0.5
69.07060	1.3
71.06127	0.5
71.06448	0.5
77.03926	0.4
78.04697	4.0
79.05477	2.4
79.13464	0.3
80.33337	0.3
81.03410	0.5
81.07050	1.7
83.08632	0.8
88.02244	0.4
89.03905	49.5
90.04240	1.4
90.04732	0.3
91.05471	10.7
93.07027	4.5
95.04958	2.1
95.08578	3.2
98.98452	7.8
98.99049	0.6
102.04673	0.4
103.05451	4.9
105.03400	1.0
105.04469	0.5
105.07021	2.8
106.04163	7.5
107.04939	1.7
107.08582	4.6
109.06504	1.0
109.10135	1.2
115.05457	2.9
116.06240	0.9
117.03365	83.6
117.07005	5.3
118.03651	2.1
119.04926	2.0
119.08553	2.6
121.02914	0.5
121.06491	11.0
121.10125	5.2
124.05208	1.7
129.06987	0.4
130.06500	0.5
131.04912	6.5
131.08527	1.9
133.06499	1.8
133.10132	1.0
134.03613	10.4
134.07240	1.2
135.04411	8.2
135.08018	1.4
135.11659	1.4
137.05962	0.5
137.09607	1.8
144.09392	0.4
145.02827	100.0
145.06453	2.4
146.03178	2.7
146.07246	20.1
146.08965	0.5
147.04393	1.4
147.08105	1.9
149.02327	1.8
149.05960	28.7
149.09521	1.8
149.13264	1.1
150.06364	1.0
158.06009	1.7
159.04420	0.5
159.08003	1.2
159.11670	1.4
161.05914	0.5
161.09615	0.7
162.03091	2.5
162.06747	3.3
163.03874	2.8
177.05452	31.3
177.09067	23.7
177.10696	0.6
177.11394	0.5
177.12668	4.8
177.16277	2.1
178.05817	1.1
186.05481	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	177.0544
Annotation	4-Methylumbelliferone
Peak:m/z	Relative Intensity
51.02374	0.4
51.62985	0.3
53.03944	0.8
55.01862	0.6
55.05488	0.3
59.45046	0.2
61.34368	0.3
61.72221	0.3
62.01585	0.4
63.02358	1.4
65.03936	0.3
67.05477	0.4
69.07063	0.6
70.92107	0.6
73.46857	0.2
76.57101	0.2
78.04695	3.6
79.05473	1.5
81.07053	0.4
84.50896	0.3
89.03907	48.6
90.04234	1.3
91.05466	4.9
93.07037	1.7
95.04973	1.5
95.08599	1.1
98.98453	1.7
103.05447	2.8
105.03378	0.8
105.04519	0.4
105.07005	0.8
106.04156	3.5
107.04982	0.6
107.08574	1.5
109.06480	0.3
109.10094	0.4
115.05471	1.3
117.03365	81.5
117.07018	1.9
118.03678	2.2
119.04912	0.7
119.08586	0.5
120.08138	0.4
121.02806	0.3
121.06493	4.9
121.10107	1.7
124.05208	0.9
129.04460	0.3
131.04915	2.5
131.08575	1.1
133.06456	0.4
133.10129	0.3
134.03615	9.7
134.07275	0.4
135.04416	6.6
135.11691	0.4
145.02826	100.0
146.03174	3.1
146.07245	9.0
146.36806	0.3
147.04399	1.2
147.07961	0.7
149.05963	27.2
149.09604	0.9
150.06354	0.7
150.10210	0.3
158.06021	1.2
159.11676	0.3
162.03082	2.1
162.06693	1.5
163.03865	2.6
177.05450	27.1
177.09052	9.8
177.12715	0.9
177.16379	0.9
178.05820	0.7
186.05444	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	177.0545
Annotation	4-Methylumbelliferone
Peak:m/z	Relative Intensity
53.03934	0.7
60.74806	0.5
63.02370	1.5
63.06569	0.5
66.94513	0.5
68.44731	0.5
70.31776	1.2
70.32146	0.9
78.04710	3.3
79.05492	0.6
84.52393	0.4
89.03908	52.7
90.04233	1.3
91.05453	3.1
93.07016	1.1
95.04945	1.3
98.98484	1.1
103.05458	2.1
105.03387	1.1
105.04568	0.6
106.04132	2.8
107.08585	0.7
117.03367	85.1
118.03716	1.9
119.04926	0.8
121.06500	1.8
121.10245	0.6
124.05220	0.8
131.04904	0.9
134.02654	0.8
134.03616	9.0
135.04404	5.3
145.02829	100.0
146.03174	2.3
146.07240	2.6
149.05966	26.5
158.06015	1.2
159.11687	0.6
162.03101	1.6
163.03918	2.8
176.26936	0.5
177.05464	27.9
177.08937	2.8
178.05771	0.6
186.05463	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.0546
Annotation	4-Methylumbelliferone
Peak:m/z	Relative Intensity
53.03945	0.6
62.01579	0.4
63.02367	1.4
65.03932	0.5
67.05483	0.4
69.07068	0.9
69.43549	1.5
69.43980	1.8
78.04697	3.5
79.05477	1.3
81.07036	0.8
84.85279	0.4
89.03909	49.3
90.04262	1.3
91.05463	5.0
91.91338	0.4
93.07025	2.3
95.04967	1.3
95.08601	0.8
98.98442	1.2
103.05469	2.3
105.03380	1.0
105.07004	0.8
106.04169	3.9
107.04953	0.5
107.08576	1.7
115.05461	0.4
116.06292	0.4
117.03368	84.6
117.06992	1.9
118.03710	1.4
119.04942	0.9
119.08577	0.7
120.08094	3.1
121.06490	3.6
121.10127	2.2
121.81774	0.3
124.05207	1.2
131.04871	1.3
131.08597	0.7
134.03615	10.5
135.04405	5.8
135.08022	0.8
145.02831	100.0
146.03201	3.3
146.07249	5.3
147.04471	0.5
147.08080	0.6
149.02319	0.8
149.05965	26.9
149.09578	0.7
150.06290	0.6
158.06023	0.8
159.11644	1.5
162.03101	1.5
162.06741	1.0
163.03908	2.7
177.05455	26.4
177.09045	5.3
177.12735	3.1
177.16339	0.9
178.05818	0.5
186.05492	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	177.0509
Annotation	Unknow
Peak:m/z	Relative Intensity
52.10486	0.4
55.01871	2.4
55.05480	0.6
56.96561	31.6
57.03436	6.4
58.99833	1.6
60.04509	0.8
60.95822	1.6
61.02924	6.6
68.00259	0.6
69.03423	7.2
70.06561	0.6
71.04949	1.0
71.28989	0.5
71.29311	0.7
71.95227	0.6
72.08144	4.9
73.02912	19.5
73.06540	0.8
74.00228	1.3
74.03220	0.7
74.52654	0.4
74.97577	1.9
75.01003	0.8
77.00797	4.0
78.04676	1.1
79.05461	0.6
80.00191	0.7
81.01038	2.4
81.03431	2.4
83.00775	8.4
83.01260	0.5
84.01541	0.7
84.95999	1.9
85.02898	12.3
86.97606	0.6
87.00987	1.0
87.04451	0.8
87.53003	0.4
88.03949	0.4
89.00761	6.1
89.03908	9.4
89.50905	0.5
90.01552	3.6
91.02325	0.6
91.05477	2.6
92.00275	0.6
92.01295	9.3
93.01856	0.4
93.07027	0.5
94.51514	0.7
94.99801	1.0
95.00738	1.7
95.01319	1.2
95.04955	0.6
96.01537	5.1
97.00474	1.3
97.02309	0.9
97.02879	7.5
97.80876	0.4
98.01286	9.0
98.03292	0.5
98.06058	0.5
98.97576	30.9
99.02030	1.3
99.04424	1.4
99.97905	0.8
100.02484	0.6
100.51580	0.5
100.99135	2.6
101.00771	5.4
101.01788	0.6
102.01495	0.7
102.02406	0.7
102.52441	0.6
103.00552	2.2
103.02431	2.0
103.03912	0.6
103.05437	1.5
104.01287	5.1
105.00269	0.5
105.02072	2.9
106.01028	1.6
106.04149	0.8
107.01815	6.9
107.04942	1.8
108.52482	0.7
109.00504	1.1
109.02863	2.1
109.52069	1.0
110.01272	20.4
110.51454	0.8
110.52248	0.5
110.97562	5.1
112.01006	1.1
112.99161	0.6
113.00865	14.3
113.01748	1.3
114.00832	0.8
114.02549	0.6
115.00499	1.6
115.02406	1.1
115.03133	0.5
115.05420	1.4
116.01309	0.5
116.06221	0.5
116.98620	17.0
117.00247	0.6
117.02039	1.2
117.03371	14.5
117.07020	1.2
117.98922	0.6
118.00997	6.0
118.03526	0.7
118.05011	1.2
119.00146	1.6
119.01797	43.8
119.51970	2.5
120.02045	1.4
121.01674	4.5
121.03413	0.9
121.06506	3.1
121.10165	0.5
121.52071	1.3
123.03191	0.6
124.01012	2.7
125.01820	0.6
125.52730	0.7
126.96996	0.5
127.01530	1.3
127.02379	0.5
127.03926	3.0
128.02309	61.5
128.52467	4.4
128.98608	5.2
129.03999	1.7
130.01035	0.5
130.52580	2.4
131.01897	100.0
131.04863	2.8
131.52834	0.6
132.00806	0.8
132.02031	3.2
132.04715	0.6
133.01508	2.3
133.03429	1.7
133.51692	0.5
134.03583	2.7
134.99651	6.8
135.03156	1.3
135.04384	1.2
136.02415	4.1
137.02826	19.7
137.52917	1.0
138.00777	0.8
138.02530	0.6
139.00758	0.6
139.02637	0.9
139.53081	4.3
140.98604	0.9
142.02110	0.7
142.03552	0.4
142.08591	0.6
143.00148	2.0
143.01888	0.9
144.98103	1.9
144.99831	0.7
145.01607	1.8
145.02786	15.3
145.04744	0.6
145.06543	0.9
146.03458	1.2
146.07249	9.5
146.99649	5.7
147.01413	0.7
147.03201	0.7
147.05032	1.6
147.07974	0.9
148.01620	0.6
148.53589	0.5
149.01160	1.7
149.02950	24.6
149.05951	5.4
150.03079	0.8
153.00632	0.7
154.02122	2.7
154.03474	42.8
155.00133	0.7
155.01900	6.0
155.03665	1.4
158.99689	1.8
160.09665	6.9
161.01196	2.4
161.02930	0.8
162.03104	1.2
162.06795	1.1
162.99142	2.7
163.02632	2.2
165.00757	2.7
165.52859	0.5
170.99673	1.2
172.01472	0.6
172.04520	6.6
172.05894	0.6
172.97620	1.0
173.01331	1.6
173.02939	13.5
173.04520	0.9
177.00748	1.8
177.02890	0.4
177.04185	0.7
177.05478	5.2
177.09088	8.4
177.10690	0.5
177.12294	2.3
183.01781	0.6
185.02988	0.6
189.00771	1.4
190.02667	0.7
190.98624	2.7
191.02377	0.9
191.04063	2.4
193.79652	0.5
196.04654	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.007
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.2
54.98635	0.8
55.01851	2.9
55.05490	1.3
56.96559	45.2
57.03413	3.1
59.06106	1.5
60.04499	2.0
60.95832	4.1
61.02908	4.0
63.02349	1.1
65.03919	1.7
67.05479	2.7
68.99755	0.9
69.03407	7.1
69.07041	1.5
70.06567	2.0
70.38494	3.5
71.01340	1.0
71.04939	1.2
71.95235	3.8
72.08134	0.9
73.02903	8.0
74.97572	1.8
77.00835	1.4
78.04684	3.3
79.05470	3.5
81.03407	2.1
81.04514	1.0
81.07034	2.0
83.00758	1.7
83.06099	1.5
84.04481	1.3
84.96010	2.1
85.02888	5.2
85.70993	0.8
86.06055	1.1
87.05568	2.0
89.00760	3.3
89.03905	38.7
90.01537	2.0
91.02322	0.7
91.05466	13.0
92.01273	2.7
93.07034	5.1
95.01305	1.2
95.04965	4.5
95.06046	1.3
95.08581	2.5
96.01532	1.3
97.02867	5.0
98.01270	3.0
98.97572	85.0
98.98445	13.7
99.04407	1.0
101.00797	2.9
102.96867	1.1
103.02348	1.2
103.05447	8.0
104.01251	1.7
105.02053	1.1
105.07008	3.4
106.04134	3.5
107.01788	2.9
107.04948	13.0
107.08591	3.9
109.02853	2.3
109.06483	1.5
109.10134	1.0
110.01276	6.7
110.07167	1.2
110.97531	1.2
111.01972	1.1
113.00843	2.9
115.05428	5.2
116.06218	1.1
116.98607	99.3
117.03365	62.6
117.07007	9.1
117.98877	1.5
118.01020	1.2
118.96729	0.8
119.01824	15.8
119.04901	3.5
119.08577	1.3
119.51922	0.8
120.02035	1.1
120.97948	1.1
121.01624	1.6
121.05667	1.5
121.06489	21.2
121.10148	4.9
122.03638	0.9
122.07096	1.0
123.04413	9.3
126.02483	0.9
127.03922	1.6
128.02306	20.6
128.52458	1.1
128.98560	3.6
130.52580	1.6
131.00281	1.5
131.01894	21.4
131.04893	11.8
131.05992	3.4
131.08528	3.0
132.02347	1.0
132.04462	1.1
132.97858	1.1
133.01619	1.3
133.06538	4.1
133.07462	1.2
134.01213	1.3
134.02078	1.0
134.03668	8.4
134.07222	1.4
134.99638	100.0
135.03134	1.9
135.04378	7.5
135.08043	1.5
135.11642	1.5
135.99956	1.4
136.02620	1.3
136.08638	1.7
136.93080	1.1
137.02898	9.3
137.05820	1.4
137.09526	1.0
139.53096	2.4
140.00148	3.7
143.00076	1.4
145.02815	76.2
145.06473	4.4
146.03134	2.2
146.07249	45.6
146.99629	4.4
147.03236	1.5
147.04408	3.2
147.08038	3.9
149.01138	1.9
149.02293	4.1
149.02989	3.3
149.05959	27.9
149.07024	1.5
149.09584	2.4
150.06482	1.5
153.00690	24.6
154.03491	7.4
154.94202	1.0
155.01852	1.3
157.03453	1.3
158.01242	7.1
158.99591	2.4
159.04356	2.0
159.06624	1.2
159.07933	2.1
160.07538	0.9
161.01187	1.9
161.05922	1.2
162.03067	3.5
162.06773	8.8
162.99113	2.1
163.03882	2.5
165.00647	1.6
170.01315	1.6
170.99579	0.9
172.01491	1.5
172.04520	1.7
172.95212	4.0
173.01186	3.1
173.02901	3.5
177.00638	3.8
177.04291	1.2
177.05417	30.4
177.09064	50.5
177.11391	2.0
177.12675	3.5
177.16315	1.8
186.05473	3.1
187.02748	1.2
188.02245	1.8
189.02394	1.0
190.96283	2.8
191.02151	1.6
195.01663	1.2
199.04471	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.1116
Annotation	4,7-Dimethyl-1-tetralone
Peak:m/z	Relative Intensity
53.03945	1.2
53.06969	0.6
55.01860	1.1
55.05503	5.1
57.13866	0.5
57.82950	0.5
60.05637	0.8
65.03931	1.4
67.05501	3.6
69.03435	3.3
69.03754	0.9
69.07058	2.5
70.06587	1.0
70.87478	2.0
79.05484	8.3
81.07050	6.9
83.04968	1.8
85.02914	0.8
87.90475	0.6
89.03896	0.6
91.05471	26.7
92.05823	0.7
93.07037	7.9
95.04965	3.1
95.08594	1.2
97.02887	1.8
98.98461	27.3
99.43314	0.6
103.05446	2.1
105.03389	1.4
105.07019	80.4
106.07344	1.4
107.04967	0.9
107.08567	2.9
109.06500	1.5
110.06250	0.5
115.05431	3.3
116.07049	0.6
116.99503	1.2
117.06999	5.6
119.04922	7.6
119.08569	41.2
120.08900	1.0
121.06501	5.4
127.03816	1.1
127.07546	1.2
128.06190	1.9
129.07011	7.2
130.06468	1.3
130.07404	0.6
131.04936	1.4
131.08563	7.9
132.05698	2.2
132.09306	0.6
133.02802	2.8
133.06479	7.4
133.10118	23.7
134.07091	0.8
134.10439	0.9
135.07956	1.2
141.06946	2.0
142.07770	22.4
143.08136	0.9
144.05630	0.6
145.06497	4.5
145.10098	4.7
146.07233	4.7
147.04420	3.1
147.05379	0.6
147.08026	12.1
147.11674	16.2
148.08600	0.7
157.10106	23.9
158.10448	1.1
159.08035	1.2
160.05194	3.8
160.08827	12.4
173.09535	0.7
175.03899	2.0
175.07616	7.9
175.11160	100.0
175.14731	9.8
176.07004	4.7
176.11514	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	175.148
Annotation	Ionene
Peak:m/z	Relative Intensity
55.05510	4.0
57.03384	0.9
57.07072	0.9
59.45737	0.8
67.05499	14.8
69.03398	1.4
69.07053	3.2
70.06574	1.8
71.52752	0.9
79.05488	22.3
81.07048	34.6
83.08614	1.0
85.02887	1.5
91.05477	35.1
93.07034	40.4
95.04948	2.0
95.08601	28.6
97.02865	2.3
98.98460	67.7
105.07025	28.2
106.07345	1.4
107.08577	13.9
109.10134	3.4
116.99485	2.9
117.07045	2.0
119.04884	1.8
119.08569	34.5
120.08862	1.3
121.10155	5.6
127.03909	1.0
128.45331	0.7
129.06956	1.7
131.08542	5.8
133.06526	1.1
133.10120	38.7
134.10468	0.9
139.37030	0.8
140.01003	1.1
142.07704	1.3
145.10083	2.4
147.04410	2.2
147.08162	1.3
147.11673	14.7
150.03459	0.9
151.94006	1.0
157.04210	1.1
157.10132	2.0
160.08839	1.9
173.13229	2.0
175.03831	1.9
175.07465	4.1
175.11328	7.2
175.14810	100.0
176.07033	3.4
176.15187	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	176.0402
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	0.7
56.05024	1.0
56.96560	5.2
57.93550	1.8
58.99850	1.0
59.06104	1.6
65.03901	0.5
69.94740	2.1
71.95259	0.9
75.05560	0.7
75.94585	0.8
77.00900	1.0
81.03407	1.0
85.02876	0.6
87.05534	0.5
89.03894	1.0
91.05465	2.3
95.01944	0.7
95.04936	0.6
95.06115	0.7
97.02859	0.7
98.96188	0.8
98.97566	18.8
98.98454	4.1
100.02448	1.9
101.00886	2.9
103.00642	0.8
103.05462	1.1
104.02515	1.3
105.07030	1.0
113.00846	1.7
115.02393	1.1
115.05489	0.7
116.01939	12.2
116.08238	0.6
116.97261	12.2
116.98604	26.9
117.03359	2.3
117.06986	1.6
118.03521	8.6
119.01917	23.5
120.02000	4.8
121.01659	7.5
121.06487	3.3
122.03522	1.2
127.04184	0.7
130.07367	0.7
131.01898	16.0
131.04921	1.8
131.99515	2.2
132.05072	0.7
133.03397	1.8
133.06462	0.8
134.02971	100.0
134.04732	3.5
134.95844	0.6
134.99652	31.9
135.03258	3.5
135.04193	0.8
136.02469	0.7
136.04510	3.3
137.01993	0.8
137.02977	14.1
137.03957	1.0
138.03014	1.7
139.02663	2.8
141.03912	0.9
142.03482	2.0
145.02841	2.5
146.03499	0.8
146.07262	7.0
146.08313	0.9
147.04317	0.6
148.96210	1.6
149.02934	4.1
149.05954	1.6
149.09592	0.8
152.02187	2.5
152.04005	21.7
152.05699	2.9
152.96924	5.0
153.00682	7.1
153.04085	2.9
154.03500	5.8
157.04578	4.7
157.97484	0.7
158.01277	2.6
158.02939	6.0
158.04787	0.7
159.05067	1.0
160.04478	1.1
161.04657	0.9
162.06696	1.5
169.04944	0.6
170.03296	1.0
170.97974	1.9
171.01378	22.9
171.04970	6.0
171.06219	1.1
172.01514	2.2
172.04555	2.5
175.98489	3.9
176.02374	2.0
176.04074	21.5
176.05847	8.9
176.07077	1.1
177.00876	1.8
177.04106	1.2
177.05447	1.5
177.09082	6.7
189.02435	10.7
189.04161	1.0
189.06075	1.6
194.03096	1.9
194.05083	7.7
194.06871	3.0
195.05016	1.0
199.05579	1.0
199.07388	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	173.1172
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31689	1.8
53.03937	4.0
55.01868	4.7
55.05510	87.2
56.96565	20.9
57.03447	10.2
57.07064	4.1
58.29662	1.7
59.04992	16.1
60.04507	5.2
65.03941	2.2
67.05502	100.0
69.03419	8.3
69.07043	2.6
69.45356	1.7
69.66765	12.3
71.04991	3.6
72.93785	15.8
73.02919	3.9
76.02234	4.7
79.05489	7.5
81.07051	18.6
83.04980	86.0
83.08629	9.1
84.04488	4.5
85.02887	6.9
85.06517	6.1
87.04451	6.2
89.02384	5.0
90.01524	2.1
90.90376	7.0
90.94836	11.8
91.05478	24.9
93.07026	6.0
95.04967	2.1
95.08588	5.8
97.02879	14.9
98.97567	11.0
99.04449	5.4
101.06020	59.9
103.03283	10.2
105.07030	12.9
107.08595	4.1
108.95864	7.5
109.10158	66.5
110.01274	2.7
111.04443	75.3
113.05988	11.6
113.96408	2.4
114.05514	6.4
115.03949	4.1
115.05437	10.1
116.06242	5.5
116.98627	9.8
117.07018	24.9
118.07321	2.6
119.01785	4.5
119.08560	15.9
127.07552	11.7
128.02342	3.2
128.06223	2.7
128.07098	2.8
129.05479	49.3
129.06931	10.2
130.07776	6.8
131.00139	3.5
131.08565	75.7
131.97464	3.2
134.99702	2.1
135.54237	2.1
137.05943	2.8
143.08556	16.2
144.09311	3.9
145.06442	7.6
145.10124	33.1
146.05963	2.0
146.99669	2.2
147.06592	2.6
149.01234	9.0
149.94041	6.5
149.96123	5.1
150.96875	4.5
155.03421	2.4
155.07028	61.5
155.08456	4.7
158.07285	5.0
158.10878	15.5
167.97141	5.4
168.97661	2.0
173.05853	4.4
173.08145	84.5
173.09665	11.9
173.11769	5.9
173.13235	77.3
174.05455	2.9
174.07489	10.9
174.12686	2.8
178.98689	3.4
192.86682	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	173.1323
Annotation	1,1,5-trimethyl-1,2-dihydronaphthalene
Peak:m/z	Relative Intensity
53.03942	0.8
55.01837	0.5
55.05503	12.8
57.03430	0.6
57.07054	1.2
59.04993	2.1
60.04505	1.2
65.03938	0.4
66.36578	0.4
67.05493	4.2
69.03410	0.8
69.07068	0.5
70.90993	0.4
70.91326	1.0
72.05923	0.5
72.93772	0.5
73.02908	0.9
75.74377	0.4
76.02225	1.2
77.86910	0.4
79.05475	4.1
81.03398	0.5
81.07055	3.6
83.04964	12.2
84.04487	1.0
85.02884	0.8
86.06047	0.6
87.04446	1.0
89.02379	0.8
90.90342	0.4
91.05465	17.7
93.07036	3.1
95.04980	0.7
95.08592	1.9
96.04490	1.2
97.02872	3.1
98.98473	2.5
99.04419	0.7
101.06001	8.8
103.03268	1.6
105.07016	10.3
107.08558	0.9
111.04427	10.5
113.05975	1.1
114.05508	1.4
115.03893	1.0
115.05429	1.9
116.06232	2.0
117.07001	16.5
119.08546	4.7
122.95545	0.4
127.07538	1.6
129.05467	6.7
129.06960	6.2
130.07794	2.6
131.08542	100.0
132.06601	0.4
132.08049	0.5
132.08804	2.1
143.08475	2.4
144.09328	2.4
145.06413	0.8
145.10100	19.9
155.07008	9.2
158.10873	1.8
171.11655	1.3
173.04607	0.5
173.05856	0.8
173.06473	0.6
173.08122	13.3
173.13229	65.3
174.05414	0.6
174.07468	2.0
174.13560	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	174.0612
Annotation	Unknow
Peak:m/z	Relative Intensity
53.62642	0.6
55.01856	0.6
55.05491	1.7
55.93527	0.5
56.04791	0.5
56.05029	6.2
56.05834	0.8
56.96304	0.8
56.96561	13.5
57.03430	2.7
58.99835	0.7
59.06104	1.8
59.52549	0.6
60.04506	2.5
69.03425	3.1
70.95865	2.9
71.51808	1.0
72.04526	0.8
72.93789	3.6
72.96054	0.8
73.02908	0.9
73.06534	1.9
77.00901	1.2
79.05492	0.9
80.06307	0.6
81.03411	1.0
82.99840	0.9
83.04951	1.0
83.97618	1.5
84.04496	1.4
84.05302	1.3
85.02890	1.4
85.04002	1.1
86.06084	0.6
87.05566	1.5
88.00670	0.5
88.96887	1.6
90.94824	1.7
91.05473	0.9
96.04510	1.0
97.02881	5.1
98.97565	1.4
98.98453	6.9
99.05528	0.8
100.02484	1.6
101.00859	7.4
101.98620	0.7
102.00914	0.8
102.02241	0.9
103.02449	3.5
105.07010	3.3
107.03421	1.3
108.95796	0.8
111.04419	0.7
111.98455	2.8
112.04757	1.5
113.98637	3.2
114.03988	3.1
114.05534	2.0
114.06682	0.7
114.94843	0.6
115.02432	0.9
115.03903	0.9
116.98614	3.2
118.03481	2.7
119.01911	56.4
119.08556	0.6
120.02009	8.5
120.03246	0.8
121.01637	4.6
121.02398	0.8
121.03483	3.2
125.04489	4.3
126.06673	1.3
127.03918	1.0
128.01920	1.9
128.06999	0.7
129.02748	0.7
129.99492	1.9
131.01883	1.4
131.97432	0.6
131.99672	10.7
132.01289	1.4
132.05058	44.2
132.95816	5.6
133.02361	1.2
133.03465	9.2
133.05118	2.7
134.02974	2.3
134.99641	3.5
135.03101	1.4
136.04529	1.4
137.02943	26.4
137.50009	1.2
138.03062	3.9
139.02663	1.6
142.03499	3.1
143.01903	0.9
144.03229	0.8
145.03452	2.6
146.03539	1.0
146.08121	0.7
147.00211	0.7
147.03764	10.6
148.06075	0.8
149.00824	1.4
149.98424	0.7
150.00734	13.8
150.02473	15.5
150.06099	31.5
150.96866	16.5
151.02525	1.4
151.04474	4.6
151.06247	1.3
153.00761	0.7
155.06638	2.2
155.97383	2.4
156.05016	8.2
156.07378	1.4
157.03423	1.7
160.04535	0.9
161.02890	1.7
162.02991	1.5
162.04253	0.6
163.04442	1.8
165.01189	0.8
165.04848	5.4
168.01801	2.3
168.03529	4.9
168.97978	1.1
169.03365	3.5
169.04616	1.6
173.02797	0.9
173.07768	1.0
173.98492	5.0
174.06114	100.0
174.12701	3.2
175.04504	14.4
175.06174	4.2
178.00905	0.6
185.02910	0.9
187.04468	2.0
192.07137	27.0
193.07355	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	172.9756
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	0.3
55.01871	1.0
55.05507	6.3
56.96560	100.0
57.03432	1.7
58.99861	0.6
59.05003	1.1
61.02914	0.7
67.05499	0.2
68.99794	0.3
69.03426	1.6
70.06590	0.6
70.95866	0.2
70.98108	0.3
71.01346	0.2
71.05016	0.2
71.51915	0.3
71.95262	2.1
72.93780	2.2
72.96040	0.7
73.02911	2.2
73.06567	0.4
74.97601	2.5
77.00883	0.9
80.05015	0.2
81.03419	0.6
82.99844	0.3
83.01381	0.2
83.04976	6.3
84.04522	0.3
84.08124	0.3
84.96028	4.6
85.02892	1.8
85.06521	0.3
86.99277	0.2
87.04455	0.6
88.02660	0.3
88.99161	0.2
89.00842	0.5
89.02382	0.5
90.94817	1.5
91.05453	0.2
92.98639	0.5
93.01885	0.2
95.01352	0.2
95.01954	0.5
97.02878	1.8
97.99196	0.6
98.97561	1.2
99.04453	0.6
100.02477	0.9
100.99141	4.9
101.00873	3.5
101.01510	0.3
101.02593	0.3
101.06012	4.4
102.02387	0.7
102.97063	0.9
103.00622	0.7
103.01289	0.2
103.02438	1.2
103.03255	0.5
105.00341	0.5
105.02184	0.7
105.07001	0.3
107.04935	1.4
108.95871	0.7
109.02836	1.0
110.01347	0.5
110.02079	0.2
110.97565	4.8
111.02938	0.5
111.04430	5.6
111.98486	0.2
112.02740	0.2
112.99189	0.2
113.00155	0.2
113.00847	1.3
113.02354	0.5
113.06012	1.1
113.96380	0.3
114.02449	0.2
114.04191	0.4
114.05519	0.3
115.02415	0.7
115.05477	0.3
116.00262	0.2
116.01258	0.2
116.07095	0.6
116.98614	1.4
117.02888	0.2
117.07011	0.2
118.01110	0.2
118.01942	0.2
118.03528	0.7
119.00173	6.7
119.01907	17.9
119.03638	0.6
119.08635	0.2
120.02020	0.7
120.03295	0.3
120.98112	0.6
120.98898	0.2
121.00771	0.3
121.01655	5.2
121.02310	0.3
121.03452	0.7
122.01338	0.2
123.03201	0.7
124.39122	0.2
125.55001	0.4
126.97065	0.9
127.02392	0.3
127.03922	0.7
127.07561	0.5
127.09500	0.2
128.02307	0.4
128.07088	0.3
128.98592	8.5
129.02913	0.4
129.03963	0.4
129.05476	3.3
129.99530	0.4
130.08661	0.2
130.54276	0.2
131.00284	0.3
131.01892	13.0
131.08551	0.8
131.96141	0.4
131.97466	0.3
131.99763	0.2
132.01979	0.5
132.05055	0.3
132.95833	0.5
133.01663	0.3
133.03438	2.1
134.99646	1.2
135.05022	0.3
137.01256	1.6
137.02937	5.1
137.04643	0.3
138.03085	0.2
138.53947	0.2
139.02679	2.7
142.01747	0.4
142.03485	0.8
143.00229	0.2
143.01884	2.4
143.08542	0.4
144.03328	0.4
144.09349	0.2
144.98067	4.0
145.03464	2.2
145.06442	0.2
145.10143	0.4
145.51521	0.2
146.99635	20.7
147.01268	1.1
147.03157	0.4
147.04933	1.0
147.99855	0.2
148.01375	0.2
148.97607	0.9
149.00154	0.2
149.01143	1.2
149.02936	3.8
149.60760	0.2
149.96072	0.4
149.97185	1.4
150.03108	0.2
150.06105	0.2
150.96872	1.3
150.99118	0.3
151.04468	0.5
152.00186	0.3
152.53586	0.2
154.03479	0.7
155.01889	3.6
155.03427	0.4
155.07010	4.5
156.05032	0.3
157.03397	0.9
158.10912	0.5
158.99661	0.3
159.04996	0.5
159.99547	0.2
160.04587	0.5
161.01483	0.3
161.02942	6.1
162.03065	0.2
162.99135	9.6
163.04494	0.6
165.00702	11.4
165.04292	0.3
166.98586	0.8
167.02092	0.5
167.97145	0.7
167.99673	0.2
168.02687	0.2
168.99950	0.2
170.01234	1.3
172.04587	0.2
172.97537	0.8
172.98940	0.3
173.01315	0.5
173.02954	9.2
173.06589	0.2
173.08075	5.9
173.13220	1.3
174.03044	0.3
174.06078	0.5
174.11176	0.2
175.04486	0.4
177.00754	0.4
177.02417	0.2
177.05978	0.2
179.04048	0.2
181.00157	1.7
182.99834	0.3
183.01750	3.8
184.04538	0.3
185.02966	1.7
186.00667	0.5
187.04456	0.5
188.02327	0.6
189.00717	0.3
189.02335	0.2
190.98642	3.5
191.02216	0.6
191.03908	1.9
191.07584	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	172.9756
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	0.3
55.01871	1.0
55.05507	6.3
56.96560	100.0
57.03432	1.7
58.99861	0.6
59.05003	1.1
61.02914	0.7
67.05499	0.2
68.99794	0.3
69.03426	1.6
70.06590	0.6
70.95866	0.2
70.98108	0.3
71.01346	0.2
71.05016	0.2
71.51915	0.3
71.95262	2.1
72.93780	2.2
72.96040	0.7
73.02911	2.2
73.06567	0.4
74.97601	2.5
77.00883	0.9
80.05015	0.2
81.03419	0.6
82.99844	0.3
83.01381	0.2
83.04976	6.3
84.04522	0.3
84.08124	0.3
84.96028	4.6
85.02892	1.8
85.06521	0.3
86.99277	0.2
87.04455	0.6
88.02660	0.3
88.99161	0.2
89.00842	0.5
89.02382	0.5
90.94817	1.5
91.05453	0.2
92.98639	0.5
93.01885	0.2
95.01352	0.2
95.01954	0.5
97.02878	1.8
97.99196	0.6
98.97561	1.2
99.04453	0.6
100.02477	0.9
100.99141	4.9
101.00873	3.5
101.01510	0.3
101.02593	0.3
101.06012	4.4
102.02387	0.7
102.97063	0.9
103.00622	0.7
103.01289	0.2
103.02438	1.2
103.03255	0.5
105.00341	0.5
105.02184	0.7
105.07001	0.3
107.04935	1.4
108.95871	0.7
109.02836	1.0
110.01347	0.5
110.02079	0.2
110.97565	4.8
111.02938	0.5
111.04430	5.6
111.98486	0.2
112.02740	0.2
112.99189	0.2
113.00155	0.2
113.00847	1.3
113.02354	0.5
113.06012	1.1
113.96380	0.3
114.02449	0.2
114.04191	0.4
114.05519	0.3
115.02415	0.7
115.05477	0.3
116.00262	0.2
116.01258	0.2
116.07095	0.6
116.98614	1.4
117.02888	0.2
117.07011	0.2
118.01110	0.2
118.01942	0.2
118.03528	0.7
119.00173	6.7
119.01907	17.9
119.03638	0.6
119.08635	0.2
120.02020	0.7
120.03295	0.3
120.98112	0.6
120.98898	0.2
121.00771	0.3
121.01655	5.2
121.02310	0.3
121.03452	0.7
122.01338	0.2
123.03201	0.7
124.39122	0.2
125.55001	0.4
126.97065	0.9
127.02392	0.3
127.03922	0.7
127.07561	0.5
127.09500	0.2
128.02307	0.4
128.07088	0.3
128.98592	8.5
129.02913	0.4
129.03963	0.4
129.05476	3.3
129.99530	0.4
130.08661	0.2
130.54276	0.2
131.00284	0.3
131.01892	13.0
131.08551	0.8
131.96141	0.4
131.97466	0.3
131.99763	0.2
132.01979	0.5
132.05055	0.3
132.95833	0.5
133.01663	0.3
133.03438	2.1
134.99646	1.2
135.05022	0.3
137.01256	1.6
137.02937	5.1
137.04643	0.3
138.03085	0.2
138.53947	0.2
139.02679	2.7
142.01747	0.4
142.03485	0.8
143.00229	0.2
143.01884	2.4
143.08542	0.4
144.03328	0.4
144.09349	0.2
144.98067	4.0
145.03464	2.2
145.06442	0.2
145.10143	0.4
145.51521	0.2
146.99635	20.7
147.01268	1.1
147.03157	0.4
147.04933	1.0
147.99855	0.2
148.01375	0.2
148.97607	0.9
149.00154	0.2
149.01143	1.2
149.02936	3.8
149.60760	0.2
149.96072	0.4
149.97185	1.4
150.03108	0.2
150.06105	0.2
150.96872	1.3
150.99118	0.3
151.04468	0.5
152.00186	0.3
152.53586	0.2
154.03479	0.7
155.01889	3.6
155.03427	0.4
155.07010	4.5
156.05032	0.3
157.03397	0.9
158.10912	0.5
158.99661	0.3
159.04996	0.5
159.99547	0.2
160.04587	0.5
161.01483	0.3
161.02942	6.1
162.03065	0.2
162.99135	9.6
163.04494	0.6
165.00702	11.4
165.04292	0.3
166.98586	0.8
167.02092	0.5
167.97145	0.7
167.99673	0.2
168.02687	0.2
168.99950	0.2
170.01234	1.3
172.04587	0.2
172.97537	0.8
172.98940	0.3
173.01315	0.5
173.02954	9.2
173.06589	0.2
173.08075	5.9
173.13220	1.3
174.03044	0.3
174.06078	0.5
174.11176	0.2
175.04486	0.4
177.00754	0.4
177.02417	0.2
177.05978	0.2
179.04048	0.2
181.00157	1.7
182.99834	0.3
183.01750	3.8
184.04538	0.3
185.02966	1.7
186.00667	0.5
187.04456	0.5
188.02327	0.6
189.00717	0.3
189.02335	0.2
190.98642	3.5
191.02216	0.6
191.03908	1.9
191.07584	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	170.0298
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	1.6
56.96558	13.8
57.03424	1.0
58.99866	1.7
60.95861	0.9
61.02931	2.2
68.98307	0.8
69.03403	2.5
71.51648	1.0
73.02921	2.7
74.97605	4.0
77.00917	1.3
79.44061	0.5
81.03413	1.3
82.01446	1.5
83.06103	1.2
85.01400	10.6
85.02914	2.1
86.01479	0.9
86.97611	0.6
88.52741	0.8
88.99153	0.6
91.02415	0.5
93.05754	1.1
94.01771	0.7
96.06864	2.3
96.08150	0.9
97.02898	2.4
97.07664	0.9
98.06031	0.7
98.97597	2.0
100.02470	7.0
101.00862	3.3
101.02526	0.6
101.37525	0.5
101.51736	0.6
102.00960	1.2
102.02324	1.3
102.52552	0.7
103.00636	1.1
103.02437	46.0
103.52453	0.6
104.02530	1.6
105.00362	0.7
109.07647	2.2
110.01350	0.8
110.06019	0.9
110.52252	0.8
110.97577	2.1
110.99340	1.5
111.53033	0.9
112.02798	1.1
116.98634	1.3
117.02094	1.1
118.03513	6.1
119.01908	16.9
120.02001	3.9
120.03284	0.9
120.53571	0.6
121.01668	3.4
121.03474	29.8
122.03616	1.2
123.03156	0.8
124.07613	1.7
124.08701	3.2
125.07173	0.5
126.04030	1.5
127.02417	0.7
128.98624	4.3
129.00316	12.4
129.03925	0.8
130.00412	0.7
131.01891	2.4
132.01999	1.6
133.01640	2.1
133.03453	2.8
134.72467	0.5
134.99696	1.5
136.04543	1.3
137.02942	6.2
138.03146	0.6
142.03436	1.2
142.05817	0.7
142.08614	1.2
144.05051	1.2
145.03445	3.2
146.03601	3.9
146.99701	6.8
147.01376	100.0
147.03035	4.6
147.05035	1.6
148.01485	3.9
149.02985	0.9
151.02658	1.4
151.04489	0.6
152.01904	9.5
152.07036	0.9
156.05054	0.6
157.01331	1.0
158.03612	0.8
163.04482	1.2
164.04611	1.6
165.00757	3.1
165.02446	11.9
165.04247	2.1
170.02975	92.6
170.08076	1.6
170.09558	3.2
171.03079	4.3
171.07680	0.5
174.03113	0.8
183.01738	2.2
188.03998	4.5
189.02487	0.6
189.04454	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	169.1221
Annotation	(4R,7R)-4-Isopropenyl-7-methyl-2-oxo-oxepanone
Peak:m/z	Relative Intensity
53.03931	2.3
53.94025	0.7
55.01859	5.5
55.05507	18.5
55.93516	1.0
56.66111	0.8
56.96547	1.4
57.03420	1.6
57.07060	2.2
59.04979	3.3
65.03925	3.1
67.05499	30.6
68.99797	1.0
69.03397	0.8
69.07060	5.9
71.01360	4.5
71.04982	10.1
71.52916	0.9
79.05069	1.2
79.05490	16.5
81.03406	5.4
81.07050	49.3
83.04961	2.8
83.08607	12.7
85.02880	2.5
85.06520	2.4
91.05474	14.4
93.05793	1.5
93.07036	8.4
95.04949	4.0
95.08614	6.4
97.06506	1.4
105.07014	9.2
107.08574	8.2
109.02876	6.6
109.06503	3.2
109.10148	6.3
110.03171	1.2
110.06011	2.1
111.00773	5.0
111.04438	4.2
113.05962	1.6
123.04404	4.1
123.08063	1.2
123.11691	7.7
124.07576	2.9
125.05949	1.8
126.03142	5.8
127.03902	1.2
133.10147	4.4
138.06754	1.3
141.05441	20.5
141.06958	4.8
145.96562	0.8
146.54311	0.8
151.03882	1.8
151.11127	1.1
152.06999	1.2
153.06972	1.0
154.07776	4.1
164.02000	0.9
169.04959	9.3
169.08597	2.1
169.10144	8.7
169.12225	100.0
170.08084	2.5
170.09602	3.7
170.12578	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	169.1222
Annotation	(6E)-8-Hydroxygeranial
Peak:m/z	Relative Intensity
53.03930	1.8
55.01868	13.0
55.05498	2.8
56.96567	1.6
57.07062	1.7
59.04972	3.1
59.06113	1.5
65.03933	4.8
65.53429	0.7
67.05502	10.1
68.05036	0.8
68.99776	1.9
69.03403	3.2
69.07064	13.2
70.06579	1.3
71.04987	3.6
71.53097	0.7
72.08123	1.0
76.63467	0.7
79.05488	6.4
80.05035	1.1
81.03403	7.4
81.06593	1.4
81.07047	23.2
83.04965	1.0
83.08600	0.9
84.04510	0.8
84.08142	1.3
85.02893	2.1
85.06543	1.5
85.07646	1.3
91.05482	8.2
92.04957	0.8
93.05791	1.2
93.07027	4.5
94.04189	0.8
94.06581	1.0
95.04956	5.6
95.08598	10.8
97.02892	0.7
97.06517	3.1
98.03653	1.4
98.79578	0.8
99.04448	2.1
99.08083	1.4
101.06023	0.8
105.07020	5.6
107.04957	1.8
107.08582	12.6
109.02881	10.7
109.06508	100.0
109.10152	9.6
110.03613	0.8
110.06054	1.6
110.06820	1.0
111.00816	7.6
111.04435	6.9
111.05564	0.9
111.08055	3.4
111.09180	3.8
113.05992	2.2
115.05439	1.9
119.01894	1.8
119.06047	3.2
121.23461	0.6
123.04369	3.5
123.08078	5.6
123.11697	13.1
124.07585	2.8
124.08627	1.0
125.06026	1.7
125.09607	1.8
126.03138	11.3
127.03904	2.0
127.07587	2.1
133.02811	0.9
133.10120	2.1
134.87311	0.8
141.05455	30.7
141.06979	2.8
142.08643	1.6
151.03932	1.2
151.07556	1.7
151.11157	5.5
152.07085	1.2
154.07722	3.7
163.97704	1.7
169.04993	12.6
169.06435	1.4
169.07556	5.7
169.08748	1.5
169.09857	4.8
169.12192	5.4
170.05980	2.1
170.08116	2.2
170.09612	3.1
181.98717	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	169.0858
Annotation	Methylhexahydrophthalic anhydride
Peak:m/z	Relative Intensity
53.03945	0.5
55.01865	100.0
55.05508	1.9
56.02198	1.1
58.35832	0.2
59.04992	0.8
63.60487	0.2
64.40067	0.2
65.03938	1.2
67.05495	10.3
69.03429	0.5
69.07060	27.9
69.54029	1.5
70.07384	0.4
71.04993	0.6
73.02917	0.5
79.05486	7.6
80.05805	0.3
81.03405	1.0
81.07050	6.0
90.12145	0.2
91.05469	7.8
93.07034	3.6
95.04961	1.6
95.08595	48.5
96.08934	1.0
97.06519	11.4
98.21499	0.4
99.04444	0.8
103.05433	0.4
105.04507	0.2
105.07019	11.2
106.07334	0.3
107.04951	2.0
107.08577	8.4
109.02869	1.1
109.06505	13.9
109.10139	0.7
110.06833	0.4
111.00745	0.4
114.84701	0.2
115.05429	0.2
119.06052	0.9
121.10092	0.3
123.04464	0.5
123.08053	14.0
123.11662	0.5
124.08440	0.3
126.03104	0.8
127.07526	0.5
127.11135	0.3
133.02777	0.3
133.06473	2.5
133.10123	0.4
134.58597	0.2
141.05444	1.7
141.07045	0.2
146.63229	0.2
151.03928	0.3
151.07516	5.3
151.11157	0.5
154.07744	0.2
154.47806	0.2
155.08508	0.2
169.04895	0.6
169.06310	0.3
169.08633	5.1
169.10030	0.2
180.05569	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	169.0344
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	2.3
54.26410	0.8
55.01863	5.8
55.05489	1.8
56.02177	1.3
56.05013	1.3
56.94284	1.3
56.96558	56.9
57.03428	12.9
57.14441	0.9
58.99848	7.1
59.04995	0.9
59.99931	1.3
60.99606	2.6
61.02921	14.5
65.03902	1.0
67.05470	1.9
68.98277	3.7
69.03421	24.3
70.06566	1.7
70.98078	1.5
70.99834	1.6
71.01334	4.2
71.04988	5.5
71.52024	1.0
71.95237	1.2
72.93771	1.7
73.02908	24.9
74.03217	1.6
74.97591	3.8
75.01897	1.1
75.04482	0.9
77.00898	6.7
79.00620	1.6
81.01878	3.0
81.03406	12.4
81.07038	1.5
82.01416	1.0
82.02673	2.6
82.03728	1.0
82.06542	0.9
82.99837	1.4
83.00792	1.5
83.04949	2.3
83.06108	1.1
84.04485	1.7
84.96014	2.7
85.01413	4.5
85.02897	24.6
86.03215	1.5
86.99333	6.5
87.01865	2.6
87.04453	3.1
88.02651	4.6
88.99142	1.2
89.00811	2.8
90.02402	2.4
91.05431	2.5
92.01267	2.9
93.01891	5.6
94.02671	2.3
95.00746	1.4
95.01647	3.5
95.04943	2.5
95.06054	1.4
96.01493	2.2
96.02403	3.8
96.06895	1.1
96.08115	1.7
97.01730	1.4
97.02310	3.1
97.02865	24.9
97.04076	0.9
97.07638	1.6
98.01278	3.1
98.03168	1.8
98.97574	21.1
99.01968	0.9
99.02933	2.5
99.04417	4.4
99.97939	0.9
100.02440	6.9
100.99118	1.5
101.00854	20.2
101.01597	5.9
102.00941	1.7
102.02388	13.1
102.52499	2.5
102.96907	1.0
103.00594	4.3
103.02436	29.1
103.03131	1.2
103.03867	1.3
104.01288	2.1
105.00362	6.3
105.02135	1.8
106.00430	1.3
106.02811	4.1
107.00158	1.6
107.01642	3.0
107.03333	1.6
107.04951	11.2
108.02367	3.1
109.01390	1.2
109.02840	9.2
109.07623	2.2
110.01272	3.8
110.02134	3.9
110.03098	0.9
110.51443	2.0
110.97559	5.2
111.00796	2.6
111.02100	1.1
111.02911	15.2
111.03731	1.2
111.04433	2.9
111.52991	2.8
112.00997	1.0
112.02730	1.1
112.99136	6.2
113.00861	3.1
113.01676	1.7
113.02478	1.4
113.03419	1.4
113.53182	1.3
113.96371	3.2
114.00962	1.2
115.00628	4.6
115.02397	6.9
115.03185	1.7
115.03996	1.7
116.00260	1.0
116.02133	3.6
116.98596	14.3
117.02145	2.5
117.02895	2.3
117.98895	0.9
118.01849	1.3
118.02757	1.7
118.03526	5.6
119.01898	82.0
119.51954	2.1
120.02013	8.1
120.03416	10.8
120.53539	1.1
121.01653	25.1
121.02460	2.2
121.03468	19.0
122.02168	1.9
122.02934	1.4
122.53687	1.9
123.01327	1.9
123.02078	2.5
123.02908	1.4
123.04553	1.9
123.05495	1.9
124.01828	1.2
124.03707	2.2
124.04603	1.7
124.07614	1.7
124.08688	4.4
125.02621	5.9
125.03485	1.6
125.07114	1.9
125.52745	1.1
126.03103	2.8
127.00696	1.2
127.02412	10.1
127.03901	5.4
128.02269	6.5
128.52483	1.3
128.98607	7.9
129.00270	5.5
129.03955	3.6
130.02771	1.6
130.03645	1.6
131.00201	11.3
131.01875	24.6
131.02832	1.5
131.97435	1.8
132.01955	14.7
133.01633	31.7
133.02502	1.9
133.03395	12.8
133.05107	1.4
133.54805	1.1
133.99704	3.1
134.02199	1.0
134.03564	2.3
134.99644	6.2
135.03197	1.7
135.05017	1.1
137.02917	15.4
139.02589	6.0
140.02281	4.2
141.00488	2.2
141.03941	1.7
141.05437	11.5
142.03473	3.2
143.00183	2.4
143.01868	3.8
143.03615	1.3
144.00864	1.7
144.05070	1.6
144.98044	2.4
144.99783	2.2
145.01808	6.1
145.03444	100.0
146.03580	18.8
146.99643	10.4
147.01369	44.2
147.03021	6.3
147.04994	3.5
149.01181	10.4
149.02876	7.9
150.03011	4.5
150.06149	1.3
150.97638	1.3
151.02693	6.9
151.04533	1.6
151.05756	1.1
152.01907	2.4
152.06900	1.4
152.07895	2.8
154.03539	1.3
155.00285	1.8
155.01854	9.7
155.03654	5.4
156.03242	2.9
157.01608	1.0
157.03455	9.4
158.01323	1.3
158.03644	1.7
158.99638	2.6
159.03192	3.9
159.05006	2.9
160.04700	1.4
161.01210	1.9
161.02917	8.6
162.99101	3.1
163.02750	8.1
163.04489	34.0
163.99448	1.5
164.04608	5.8
165.00801	4.4
165.02425	4.9
165.04158	1.7
167.02002	1.1
168.05029	3.1
169.03604	5.6
169.04880	7.3
170.02966	29.2
170.07985	1.3
170.09323	1.3
171.05025	1.5
173.01378	1.5
173.02951	12.7
173.04385	1.7
174.03085	2.8
175.00906	1.4
175.02783	4.3
175.04486	6.2
176.04770	1.2
176.99248	1.7
177.00720	2.6
177.04318	1.2
177.06012	1.1
178.04886	3.0
183.01682	1.3
185.02945	2.6
186.99123	1.8
187.01015	1.0
187.02734	5.0
187.04495	13.8
188.04134	2.1
189.00812	1.9
189.02470	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.1429
Annotation	beta-fenchocamphorone
Peak:m/z	Relative Intensity
53.00312	1.6
53.03938	7.0
55.01859	6.3
55.05507	37.7
56.96560	9.3
57.03435	8.2
57.07058	5.2
59.04991	2.7
59.06092	1.7
65.03931	3.8
66.04681	1.5
67.05496	44.4
69.03413	4.6
69.07061	84.4
70.06593	2.2
71.04980	11.6
71.52853	1.6
78.04701	14.3
79.05483	34.2
80.05013	2.0
81.03394	9.2
81.04555	1.5
81.07047	52.1
83.04965	8.5
83.08609	61.5
84.04531	1.5
84.08926	1.3
84.96017	4.9
85.02888	2.7
85.06532	8.8
91.05460	14.3
92.02616	1.5
92.42253	1.7
93.03420	1.7
93.07032	53.7
94.04168	6.2
94.07375	1.4
95.04964	14.5
95.06068	2.3
95.08598	14.3
96.05755	8.0
97.02887	2.5
97.06518	14.6
97.10145	2.9
98.06061	2.7
99.04476	1.4
99.08056	2.8
102.94846	1.7
103.05476	1.5
105.04510	2.1
105.07018	5.1
106.04179	3.6
107.04928	7.3
107.08582	43.5
108.04511	2.2
108.05727	15.5
108.08897	1.4
109.02859	12.0
109.06516	9.4
109.07645	2.5
109.10138	7.1
110.06006	1.6
111.04436	6.6
111.08070	22.4
114.05470	1.4
114.87882	1.5
116.98379	1.5
120.95968	1.7
121.01662	8.5
121.02821	3.8
121.06475	9.3
121.09341	1.6
121.10142	22.2
121.99339	1.9
122.06044	3.3
122.07109	3.1
122.10492	1.4
123.04411	23.4
123.08044	4.1
123.11677	2.8
124.05199	44.1
125.06049	8.3
125.08181	2.0
125.09628	5.1
126.05490	6.1
127.03905	2.4
131.08568	2.4
134.03593	1.5
135.04396	2.2
139.02762	3.1
139.03845	2.0
139.07526	100.0
139.11183	1.7
140.00311	1.5
140.06917	1.7
140.07883	3.9
144.03229	4.5
144.06050	1.4
149.02318	7.3
149.05933	4.1
149.09619	5.8
149.13246	55.1
150.05475	4.0
150.10258	2.3
150.13608	1.6
151.03874	5.2
152.04659	7.2
153.06958	1.3
162.04277	3.6
163.02005	2.9
167.03423	10.0
167.07022	98.3
167.08353	3.5
167.10510	8.0
167.14299	49.1
167.99733	1.4
168.06342	6.7
168.10126	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	169.0344
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93836	1.3
51.98068	1.2
53.03925	2.7
55.01860	4.8
55.05513	2.1
56.96562	27.8
57.03430	9.2
58.99860	6.1
60.77129	1.2
60.99600	2.0
61.02924	12.1
68.02631	1.3
68.98283	2.8
69.03420	18.0
69.57487	8.4
70.06586	1.7
70.99840	3.3
71.01347	4.5
71.04982	3.6
71.95245	1.7
73.02911	22.5
74.03247	2.4
74.97598	2.9
75.01900	1.8
77.00888	4.4
78.26000	1.3
79.00607	1.7
79.02117	1.8
80.15926	1.1
81.01894	2.4
81.03421	7.4
81.51944	1.7
82.02676	2.8
82.03720	1.5
82.99831	1.8
83.00832	1.1
83.04962	1.9
85.01412	7.7
85.02902	15.6
86.99323	4.4
87.01919	2.0
88.02686	6.0
89.00829	1.7
91.05509	2.2
93.01882	7.9
94.02686	2.6
94.99823	1.6
95.01616	4.0
95.04967	3.3
96.01549	1.9
96.02411	3.3
96.08131	1.9
97.02864	18.0
98.97577	12.3
99.02953	2.4
99.04446	2.1
100.02515	3.9
101.00874	20.4
101.01641	5.5
101.03468	2.4
102.00975	2.3
102.02393	15.2
102.52467	1.9
103.00618	6.1
103.02447	26.7
103.03142	2.1
104.52699	1.6
105.00365	5.8
107.01663	3.1
107.03386	1.6
107.04951	5.8
108.02414	4.3
109.01353	3.2
109.02921	4.6
109.07661	1.7
110.01450	1.7
110.02171	5.3
110.23465	1.6
110.97569	2.6
111.02917	15.0
111.04493	1.6
111.52983	3.7
112.99145	3.0
113.00853	3.6
114.00958	1.6
114.02383	1.3
115.00620	3.6
115.02429	6.2
115.03145	1.6
116.02168	5.7
116.98598	5.5
118.02772	1.7
118.03552	2.7
119.01045	3.1
119.01908	61.9
120.02021	7.9
120.03419	14.7
120.53534	2.3
121.01656	19.3
121.03474	19.3
122.02177	2.0
122.53706	2.0
123.01364	1.5
123.02956	1.8
124.03677	1.8
124.08710	2.0
124.99169	1.4
125.02646	7.4
125.07080	1.8
126.03134	1.9
127.02399	9.7
127.03934	2.7
128.02242	3.2
128.98604	4.7
129.00314	7.7
129.02141	1.5
129.03961	6.1
131.00227	2.8
131.01903	23.0
132.01984	11.3
133.01639	26.5
133.03368	9.6
133.99736	3.5
134.99667	1.6
135.03194	1.7
137.02965	14.2
138.03143	1.4
139.02602	4.4
140.02397	2.2
141.00490	2.8
141.03986	1.9
141.05443	3.1
142.03493	3.7
143.00246	3.7
143.01935	7.0
143.03688	1.7
145.01619	3.3
145.03450	100.0
146.03564	13.1
146.99594	4.6
147.01378	42.4
147.03191	4.6
147.05048	2.5
149.01207	2.3
149.02983	5.4
150.03052	1.5
151.02715	7.5
151.05861	2.2
152.01923	3.9
152.08006	1.8
153.01407	1.5
155.00182	1.7
155.01964	7.5
155.03674	4.9
156.03427	1.4
157.03452	9.5
158.99646	1.6
159.03212	2.9
159.05000	3.1
161.02995	8.4
162.03070	1.9
163.02751	3.6
163.04520	26.3
164.04681	4.1
165.02443	5.1
168.05107	3.7
169.03487	5.8
169.05080	5.3
170.02986	29.6
173.02956	11.8
175.02953	2.6
175.04533	5.7
185.02953	3.7
187.02759	3.7
187.04539	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	167.0702
Annotation	Veratraldehyde
Peak:m/z	Relative Intensity
53.03933	3.2
55.05504	3.3
60.52441	2.2
62.30715	2.2
65.03931	2.5
67.05484	2.6
69.03455	2.1
71.04618	5.8
78.04697	4.1
79.05480	7.6
81.03383	3.4
82.87853	2.3
83.04961	6.2
83.18002	2.3
87.20348	2.7
91.05451	3.2
93.07046	4.9
94.04229	2.4
94.06518	2.6
95.04952	4.2
96.05725	2.7
107.04942	5.9
107.08588	4.1
108.05732	4.4
109.02899	2.9
109.06481	4.6
109.07638	7.7
110.03683	14.9
110.07192	3.2
110.08396	2.8
111.04438	7.6
111.09142	2.6
115.85635	2.3
121.01664	5.1
121.02889	2.5
121.06474	5.7
121.10116	5.8
124.05209	18.3
125.05994	26.5
125.09660	2.5
135.04448	5.0
139.07520	38.8
150.10271	4.7
152.04689	7.9
167.07024	100.0
167.10670	3.8
167.12982	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	167.1431
Annotation	Unknow
Peak:m/z	Relative Intensity
52.03176	0.5
53.00296	0.5
53.03946	3.2
55.01855	1.6
55.02489	0.5
55.05510	6.2
56.96552	0.9
57.03413	1.0
57.07066	0.8
58.92794	0.5
59.04988	1.4
59.06094	1.1
65.03916	2.1
66.04698	1.3
66.26324	0.5
67.05190	0.5
67.05504	6.7
68.05018	0.9
68.19498	0.5
69.03430	2.9
69.03722	0.5
69.07065	5.1
69.90150	3.0
70.06593	1.0
71.01337	0.6
71.04671	0.6
71.04994	7.5
73.06552	3.8
75.24673	0.5
76.58261	0.5
77.03911	0.7
78.04703	16.3
79.05487	13.3
81.03411	5.1
81.04530	0.9
81.07047	10.2
82.06575	0.7
83.04959	2.4
83.06085	0.7
83.08599	1.4
84.08149	0.7
84.96017	1.9
85.02880	1.2
85.06495	1.1
89.60628	0.6
91.05473	4.9
92.02684	0.6
93.03398	1.2
93.06486	1.1
93.07035	16.2
94.04156	2.0
94.06520	1.0
95.04966	7.3
95.08600	18.0
96.05758	4.1
97.02882	1.3
97.06514	3.1
97.07623	0.6
98.06045	0.8
98.98469	0.5
102.94824	0.6
103.00648	0.7
105.03364	1.3
105.04498	1.1
105.07022	2.2
106.04149	4.2
107.04961	6.5
107.08582	13.0
107.36942	0.5
108.04443	0.7
108.05724	6.8
109.02874	7.6
109.06512	4.5
109.07613	2.0
109.10143	4.5
110.03684	0.8
110.07121	0.9
110.08401	0.9
111.04408	2.3
111.08085	2.7
111.09169	1.0
112.08698	0.9
117.95909	0.6
121.01656	6.5
121.02845	1.6
121.06487	5.4
121.10129	9.5
121.99338	1.5
122.03622	2.3
122.06001	1.5
122.07146	2.2
123.04420	27.2
123.08036	1.9
123.11695	1.7
124.05209	22.1
124.08678	0.7
125.06003	3.6
125.06960	0.6
125.08270	1.5
125.09608	1.7
126.05495	1.6
127.03905	1.0
131.08531	1.3
134.03574	1.4
135.04407	2.1
135.05357	0.8
137.05960	2.1
138.03061	0.8
138.53641	0.5
139.02687	2.8
139.03796	0.8
139.07527	38.1
139.11124	1.1
140.00409	1.3
140.07870	2.0
141.75378	0.6
143.96692	1.5
144.03227	4.0
145.00987	1.5
149.02338	2.4
149.05952	2.8
149.09618	2.7
149.13229	4.8
150.05475	1.6
150.06577	0.6
150.10240	1.3
151.03894	5.1
152.04654	5.8
162.04286	1.6
163.01961	1.9
167.03395	4.0
167.07024	100.0
167.10577	5.4
167.14232	3.2
168.04222	1.1
168.07590	3.7
182.08720	0.5
186.22404	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.1274
Annotation	Jasmone
Peak:m/z	Relative Intensity
53.03937	5.3
54.03458	1.5
55.01852	4.0
55.05502	17.1
55.60445	1.1
56.05009	3.1
57.03421	3.6
57.07084	6.2
57.07299	1.4
58.06590	1.8
59.04980	1.2
65.03923	3.5
67.05499	54.0
68.04998	2.5
68.05833	1.4
69.03423	11.4
69.07060	14.6
69.56062	6.2
69.56839	1.0
70.06570	3.4
71.04974	4.8
77.03892	1.6
79.05489	32.1
80.04991	3.1
81.03399	4.5
81.04527	3.2
81.07047	71.2
82.06564	1.7
83.04974	13.6
83.06070	3.9
83.08594	3.7
83.93027	1.5
85.02882	1.2
85.06515	4.4
91.05473	50.2
92.05785	2.2
93.07032	44.2
94.04176	2.2
94.06616	1.1
94.07334	1.8
95.04386	1.6
95.04958	22.5
95.06096	3.1
95.08597	100.0
96.08940	1.7
97.06503	3.8
97.07616	3.3
97.10158	2.7
98.21519	1.5
101.00847	7.7
101.02559	1.3
103.05450	2.7
105.03399	1.3
105.07022	56.7
106.07328	1.5
107.04907	3.5
107.06049	4.7
107.08581	89.1
108.08877	2.1
109.02856	5.0
109.05806	1.9
109.06509	37.7
109.07626	2.9
109.10144	65.8
110.10518	1.3
111.09174	2.6
117.06989	3.1
119.01912	57.0
119.04920	28.1
119.08568	46.6
120.00658	1.3
120.02003	3.7
120.05566	1.9
120.08084	4.1
120.08866	1.3
121.06499	3.1
121.07591	2.2
121.10131	24.8
122.03637	1.6
122.07220	13.8
123.04429	5.5
123.08054	24.9
123.11678	13.5
124.05076	1.8
124.08748	5.8
125.09447	2.0
133.02831	6.3
133.06477	2.6
136.07523	2.5
137.02968	25.5
137.05962	15.0
137.09596	63.7
137.13222	14.1
138.03003	1.5
138.10023	2.2
139.29828	1.0
142.03479	37.6
142.96657	4.2
143.03658	2.0
145.10197	1.0
147.04391	52.3
147.08014	7.1
147.11670	41.0
148.04829	2.0
148.08636	3.9
148.11984	2.4
150.06702	1.5
150.10388	1.9
160.04523	14.5
161.04602	1.9
165.01785	4.5
165.05510	12.9
165.07671	4.1
165.09073	40.3
165.11388	5.9
165.12724	71.8
165.98328	1.2
166.04970	2.8
166.06233	1.4
166.08461	5.5
166.13068	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	166.0862
Annotation	L-Phenylalanine
Peak:m/z	Relative Intensity
51.02357	0.2
53.23542	0.1
54.28252	0.1
55.33688	0.1
56.96548	0.3
70.64936	0.3
77.03932	0.2
79.05479	1.7
80.04984	0.1
80.94933	0.2
87.03062	0.1
91.05466	0.9
93.06482	0.2
93.07034	2.6
95.04976	0.3
102.00986	0.1
103.05456	11.6
104.05775	0.2
105.04530	0.1
105.07030	0.2
107.04952	2.4
118.06529	0.3
119.01911	0.3
119.07239	0.1
120.02015	0.5
120.08091	100.0
121.01643	0.2
121.07596	0.2
121.08440	2.8
124.05214	0.2
131.04919	2.1
137.95993	0.1
138.03055	0.1
139.07533	0.6
143.03683	0.3
149.05981	0.6
150.49004	0.1
166.04982	0.3
166.08586	1.1
183.93614	0.1
189.77715	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	167.0702
Annotation	Methyl p-anisate
Peak:m/z	Relative Intensity
51.02393	0.6
53.03945	4.8
55.01869	3.2
55.05503	2.0
56.05026	0.6
57.03435	0.6
59.04987	0.6
59.06122	0.8
59.70082	0.5
65.03935	1.5
65.84422	0.5
66.04712	1.0
67.05502	4.9
68.02650	0.6
68.05013	1.3
68.99777	3.5
69.03423	2.2
69.07063	1.9
70.06580	1.7
70.67799	1.6
71.06110	0.5
72.08170	0.9
74.92769	0.5
78.04704	7.9
79.05486	23.2
80.05832	0.6
81.03401	3.5
81.04536	0.8
81.07059	3.7
82.06567	1.2
83.04989	2.5
83.06097	1.5
84.08145	0.8
84.96040	0.6
85.06541	0.8
85.07668	1.2
89.03908	0.6
91.05477	5.7
92.02588	0.8
93.03410	0.6
93.07037	6.5
94.04187	2.7
94.06532	0.8
95.04957	11.4
95.06023	0.5
95.08590	1.6
96.05180	0.5
96.05749	7.8
97.02918	0.5
97.06519	1.6
97.07619	1.0
98.07175	0.6
103.05468	0.7
105.03404	1.0
105.04486	1.9
105.07059	1.6
106.04161	7.4
107.04946	52.7
107.08588	5.2
108.04579	0.8
108.05761	8.3
109.02866	3.5
109.06500	4.9
109.07632	4.4
109.10092	0.6
110.03682	0.6
110.06028	0.6
110.07169	1.0
110.08428	2.6
111.04439	2.2
111.08038	0.8
111.09176	2.8
121.01649	2.2
121.02850	1.9
121.06489	5.7
121.08362	0.7
121.10136	7.0
122.03632	0.6
122.06077	0.9
122.07140	1.6
123.04424	7.0
123.08076	1.7
123.09161	0.7
124.05198	25.2
124.08682	1.1
125.06018	3.6
125.09661	1.0
127.07384	0.8
127.11073	0.5
131.08554	0.8
133.02776	2.4
134.03593	3.0
135.04404	28.0
136.04764	0.8
137.05928	0.6
138.06726	0.8
139.02789	0.9
139.03880	1.0
139.07527	53.2
139.11209	1.3
140.07924	1.4
144.03275	1.4
149.02321	1.8
149.05962	2.3
149.08330	0.6
149.09605	1.9
150.05493	0.6
150.06592	0.5
150.10251	5.4
151.03905	5.4
152.04671	100.0
153.05008	3.0
162.04243	0.7
167.03322	1.9
167.07024	99.9
167.10550	2.4
167.12883	1.6
168.07480	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	165.1274
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22318	0.6
51.02391	0.7
52.66827	0.6
53.03735	0.6
53.03968	2.1
54.02676	0.6
55.01881	2.4
55.05504	4.1
56.05033	0.8
56.49497	0.5
56.96579	0.9
57.03430	2.9
57.07092	2.5
58.06601	0.7
65.03958	2.3
67.05502	17.1
69.03423	3.8
69.07063	4.5
69.36761	4.9
70.06600	1.2
70.23510	0.5
71.05029	1.2
71.08630	1.1
77.03930	0.7
79.05488	10.9
79.05907	0.8
80.05034	0.7
81.03421	1.9
81.04565	0.7
81.07048	21.2
81.07512	1.1
82.06607	0.7
82.99877	0.7
83.04971	4.5
83.06111	1.8
83.08630	1.9
83.93076	0.8
85.02920	1.0
91.05471	16.8
93.07034	12.6
94.04185	0.9
94.07854	0.7
95.04963	8.7
95.06112	0.6
95.08601	15.2
95.09170	0.9
96.05704	0.7
97.02905	1.2
97.06548	1.5
98.20808	1.4
100.02498	0.9
101.00857	4.4
103.05473	1.7
104.06204	0.7
105.03394	1.1
105.07021	16.1
107.04951	2.5
107.06062	1.0
107.08577	13.5
109.02840	0.9
109.06504	22.0
109.07642	0.9
109.10146	17.2
110.07176	1.0
117.07029	1.7
119.01911	34.3
119.04916	8.7
119.08573	24.5
120.02036	2.2
120.08109	1.9
121.06517	2.2
121.07638	0.6
121.10133	21.9
122.03613	1.0
122.07252	11.6
123.04410	2.3
123.08062	12.5
123.11697	6.0
124.02367	0.8
124.05067	0.7
124.08698	1.6
125.09500	0.7
127.07512	0.6
133.02815	2.6
133.06517	0.6
133.07584	0.7
135.08047	2.6
136.07610	0.9
137.02959	16.8
137.05984	7.0
137.09602	100.0
137.13239	1.9
138.03079	1.1
138.06522	0.8
138.09962	1.9
142.03481	22.0
142.96658	3.6
143.03654	1.1
147.04390	13.8
147.08011	2.4
147.11679	9.8
148.07510	0.6
148.08690	2.0
150.06763	0.9
150.10356	4.3
160.04539	10.3
165.01811	2.1
165.05493	7.2
165.07668	3.5
165.09081	25.8
165.11360	3.8
165.12724	38.9
166.04977	2.4
166.08546	2.7
166.13095	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.091
Annotation	cis-Isoeugenol
Peak:m/z	Relative Intensity
53.03952	2.4
55.01877	1.1
56.05048	1.0
57.03436	1.1
65.03940	1.8
66.04730	1.8
67.05515	2.0
68.05038	2.0
69.03420	0.8
70.06611	1.2
70.80394	0.6
70.80734	1.5
72.55536	0.6
77.03929	0.6
78.04728	2.0
79.05487	23.6
80.05836	0.6
81.03412	1.2
81.04527	0.9
81.07059	1.5
82.06583	0.9
83.06113	2.5
85.07648	1.0
86.84083	0.5
91.05476	16.5
91.06020	1.2
92.06303	0.9
93.07056	2.2
94.04196	1.9
95.04962	5.8
95.06085	0.8
97.07657	0.8
98.07171	1.0
101.00880	3.9
103.04798	1.4
103.05460	20.6
104.06288	3.8
105.03393	1.5
105.04529	0.9
105.07024	33.6
106.06539	0.6
106.07360	0.8
107.04951	13.7
107.06062	1.1
107.08628	1.2
108.05759	0.9
109.06516	2.8
109.07637	1.2
109.10196	0.8
115.05364	0.7
118.04158	8.5
119.01922	19.4
119.04930	18.3
119.08578	2.2
120.02003	1.2
120.05724	6.3
121.06496	16.7
121.07426	1.3
122.03634	2.5
122.07290	5.2
123.04421	1.1
123.06658	0.6
123.08041	2.9
124.02417	0.8
124.08715	2.0
125.09490	1.1
131.04993	3.0
132.05722	1.0
133.02850	2.5
133.06477	23.8
134.07269	26.5
135.04402	21.9
135.05432	1.1
135.08040	9.1
136.07549	0.6
136.08612	0.9
137.02957	5.8
137.05960	8.4
137.09624	1.7
138.10225	1.0
142.03484	9.7
142.96681	0.9
147.04393	13.0
147.08002	1.0
148.04976	0.7
148.08684	1.9
149.05960	4.0
150.06752	89.9
151.07095	2.5
160.04498	3.5
165.05467	4.5
165.09102	100.0
165.11349	3.5
166.09624	3.0
177.77708	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.1273
Annotation	Jasmone
Peak:m/z	Relative Intensity
53.03943	1.7
55.01862	2.2
55.05498	4.6
56.05017	0.5
57.03428	2.6
57.07061	2.3
58.06578	0.6
58.94568	0.5
65.03918	1.2
67.05496	16.0
68.05031	0.8
69.03421	3.2
69.07063	4.3
70.06586	1.3
70.06935	2.5
71.04994	1.1
71.08608	0.8
79.05485	11.0
80.05026	1.1
81.03401	2.6
81.04545	0.8
81.07046	22.5
82.06564	0.8
83.04972	4.2
83.06091	1.4
83.08604	2.8
85.02863	0.5
85.06490	0.6
91.05471	17.1
93.07030	14.8
94.04160	1.1
95.04953	8.3
95.06070	1.0
95.08592	14.8
96.05710	0.5
97.06509	1.1
97.07668	1.0
101.00865	2.7
101.02579	0.5
103.05451	1.1
105.03402	1.0
105.04531	0.6
105.07018	14.2
106.76482	0.5
107.04923	2.5
107.06060	1.3
107.08579	13.2
109.02874	0.7
109.06498	23.5
109.10147	15.9
110.07301	0.7
111.09195	0.8
117.06987	2.0
119.01902	27.4
119.04917	7.1
119.08566	24.7
120.02003	1.7
120.05565	0.6
120.08072	1.4
120.08839	0.5
121.06495	2.7
121.07546	0.6
121.10123	22.3
122.03620	0.9
122.07251	10.6
122.10443	0.6
123.04399	1.5
123.08051	12.7
123.11690	4.1
124.02422	0.6
124.05022	0.7
124.08710	1.8
125.09487	1.0
127.07536	1.2
133.02831	2.0
133.06439	0.5
135.08052	2.6
136.07640	0.9
136.08664	0.8
137.01991	0.9
137.02962	13.4
137.06007	5.7
137.09595	100.0
137.13205	2.2
138.03001	1.3
138.06567	0.7
138.09930	2.3
142.03477	17.3
142.96686	3.2
143.03561	0.7
145.10098	0.6
147.04391	13.3
147.08015	2.6
147.11679	8.9
148.04951	0.6
148.08684	1.9
149.05939	0.5
150.06738	0.8
150.10368	5.5
160.04529	7.4
165.01817	1.4
165.05515	5.6
165.07645	2.4
165.09074	22.2
165.11493	1.7
165.12732	35.8
166.04951	1.6
166.08548	3.3
166.13075	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0509
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96562	0.4
57.03440	0.4
58.99857	0.5
69.03386	0.3
69.93996	0.3
70.58666	1.1
70.99841	0.7
77.00903	0.5
82.99802	1.7
84.19329	0.3
89.00874	0.3
95.04965	0.4
97.02880	0.5
100.02477	1.2
101.00873	29.3
102.00954	1.1
115.02415	0.6
118.03536	0.8
119.01910	100.0
120.01994	3.8
121.02387	0.6
124.02436	4.5
131.01915	0.8
133.03430	0.7
137.02943	28.7
138.03023	0.8
139.03337	0.4
142.03485	58.4
143.03587	2.6
151.04501	0.4
152.35085	0.3
156.04865	0.3
157.03456	0.4
160.04547	18.5
161.02986	0.6
161.04671	0.5
165.05083	1.6
173.03041	0.3
183.06201	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0509
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96553	1.0
57.91555	0.3
69.03399	0.4
70.75454	0.9
71.45195	0.3
82.99829	2.1
85.14943	0.4
95.04956	0.3
100.02461	0.9
101.00871	24.0
106.06429	0.3
113.73910	0.3
118.03553	0.6
119.01908	100.0
120.01952	2.8
121.06471	0.5
124.02422	4.4
133.03380	0.4
137.02943	29.6
138.03047	1.7
142.03485	67.0
143.03615	2.0
156.60681	0.3
160.04541	22.9
161.02942	0.7
161.04688	0.6
165.05080	2.2
168.58723	0.3
181.63997	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.148
Annotation	Geijeren
Peak:m/z	Relative Intensity
53.03934	3.0
53.12471	0.4
55.01875	2.4
55.05510	8.1
57.03450	0.6
57.07071	1.3
65.03931	1.2
67.05502	6.2
68.05009	1.0
69.03420	2.8
69.07065	24.2
77.03940	0.8
79.05489	24.6
80.05033	0.5
80.05820	0.6
81.03424	0.9
81.04529	1.2
81.07051	24.2
81.12798	0.4
82.05331	0.7
82.07391	0.7
83.04971	0.4
83.06084	0.6
83.08610	6.6
85.02892	1.3
89.03908	1.9
91.05473	19.2
92.02603	0.6
92.05777	0.8
92.06284	0.8
93.07037	42.3
94.07339	0.7
95.04961	6.0
95.06091	1.3
95.08601	21.6
96.06916	0.5
96.08945	0.7
97.07636	0.9
97.10191	0.8
100.02473	0.9
103.05460	14.8
105.03394	1.5
105.04516	1.9
105.07028	14.6
107.04954	6.7
107.08585	100.0
108.05589	0.9
108.08886	3.2
109.06500	3.3
109.07623	0.7
109.10150	1.4
115.05457	1.5
117.03397	1.2
117.07005	4.2
118.03526	0.7
119.04966	1.2
119.06055	1.6
119.08567	6.0
120.05669	0.9
121.06516	3.6
121.10135	41.2
122.07149	2.4
122.10458	1.5
123.08005	2.4
125.31290	0.5
128.06238	0.8
130.07788	3.2
131.04919	14.0
132.05263	0.6
132.08066	0.6
133.02841	6.0
133.06552	0.6
133.07640	0.7
133.10152	0.9
135.04417	8.2
135.08055	4.9
135.11678	16.5
136.07562	6.3
136.08679	1.7
143.08565	0.9
145.02887	0.8
145.03929	0.6
145.06534	2.2
145.10101	7.6
146.07051	0.7
147.08060	0.6
148.05156	0.5
148.08804	1.6
149.06006	1.1
149.85957	0.5
161.13280	1.2
162.64259	0.5
163.03897	26.3
163.07553	7.3
163.09784	4.0
163.11142	24.7
163.14807	40.6
164.04431	0.9
164.07048	2.6
164.08249	0.9
164.11613	1.0
164.15228	1.2
182.52094	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.1479
Annotation	Geijeren
Peak:m/z	Relative Intensity
51.02367	0.9
53.03718	0.7
53.03945	9.5
55.01848	1.2
55.05506	5.6
57.07052	0.7
60.07693	0.5
65.03915	0.6
67.05136	0.8
67.05498	15.8
69.03417	0.7
69.07063	7.3
69.69561	2.2
69.69962	0.8
77.03903	2.0
79.05486	39.3
80.05803	1.3
81.03398	1.6
81.07049	26.1
82.07366	0.9
83.08608	3.4
85.02892	0.6
89.03899	0.5
91.05473	10.6
92.02598	4.3
93.07035	35.8
94.99358	0.6
95.04961	16.9
95.08595	24.1
96.08942	0.7
97.10156	0.9
100.02480	2.8
103.05434	3.0
105.03391	5.6
105.04479	4.2
105.07025	3.9
106.03788	0.5
106.06450	0.5
107.04951	5.5
107.08582	31.7
109.06525	0.5
109.10133	1.7
110.29516	0.6
113.96357	0.5
115.05403	0.7
117.03388	0.8
117.06995	1.7
118.03501	1.6
118.06515	0.6
119.04928	1.4
119.08537	2.9
120.02113	0.6
121.06490	1.4
121.10129	42.3
122.10466	1.3
131.04915	3.9
133.02838	27.3
134.03177	1.5
135.04399	30.0
135.08046	1.4
135.11671	5.1
136.04721	1.2
136.07556	0.6
138.03114	1.3
138.44392	0.5
145.06502	1.2
145.10086	1.8
163.03885	100.0
163.07494	3.0
163.11156	8.1
163.14804	29.9
164.04298	6.8
164.07007	1.7
164.10600	0.6
164.15138	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.1117
Annotation	Lamoxirene
Peak:m/z	Relative Intensity
50.01597	0.3
51.02372	0.7
51.58090	0.3
53.03755	0.3
53.03944	3.4
54.03441	0.4
55.01876	1.5
55.05506	2.3
56.96549	0.6
57.03432	0.4
57.07074	0.3
65.03929	0.9
67.05499	1.9
68.05027	0.8
69.03427	2.7
69.04562	0.4
69.07069	3.4
69.87001	1.5
71.04971	0.4
76.17503	0.3
77.03918	1.0
79.05489	11.4
80.05013	0.4
81.03406	1.1
81.04516	1.4
81.07052	5.4
82.05305	1.0
83.04962	0.5
83.06102	0.5
83.08597	0.7
85.02895	0.7
89.03902	1.4
91.05482	7.8
92.02621	1.7
93.07040	11.6
95.04964	8.4
95.06064	1.9
95.08601	3.7
96.06879	0.9
97.07616	0.9
100.02477	2.4
103.05463	19.1
105.03397	3.2
105.04498	2.5
105.07021	6.1
106.06527	0.4
107.04951	14.2
107.06060	0.7
107.08588	16.7
108.05600	1.3
109.06515	1.2
109.07600	0.6
110.01256	0.4
115.05434	1.4
117.03373	0.9
117.05721	0.4
117.07018	5.3
118.03518	1.8
118.06550	0.6
119.04911	1.6
119.06044	0.7
119.08596	3.2
120.05597	0.6
120.08011	0.4
121.06490	5.1
121.10131	5.5
122.06162	0.3
122.07166	2.5
122.09640	0.6
123.07944	1.2
128.02371	0.3
128.06190	0.4
129.07021	0.4
130.06531	0.4
130.07777	1.7
131.04924	20.4
132.05196	0.7
132.08005	0.3
133.02837	11.1
133.06499	3.4
133.10129	0.4
135.04410	13.0
135.08037	5.9
135.11685	3.7
136.04756	0.6
136.07576	0.9
136.08679	1.8
138.03099	0.7
140.97226	0.3
143.08595	0.4
145.02867	0.5
145.03983	0.8
145.06468	1.2
145.10112	8.3
146.07077	1.2
147.08028	3.0
148.05138	1.3
148.08829	12.5
149.02330	0.5
149.05923	0.9
149.09137	0.6
158.96288	0.7
163.03900	41.8
163.07542	12.0
163.09853	5.3
163.11160	100.0
163.14795	5.5
164.04428	1.8
164.07036	1.3
164.08147	0.6
164.11624	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	163.148
Annotation	Geijeren
Peak:m/z	Relative Intensity
51.02375	1.3
53.03708	0.6
53.03942	7.8
55.01860	1.3
55.05506	7.1
57.03428	0.8
57.07070	2.3
61.02920	4.2
65.03915	1.9
67.05499	21.0
68.99815	0.5
69.03417	1.8
69.07063	9.0
71.64136	0.3
73.02917	2.0
74.06075	0.4
77.03907	2.1
79.05486	46.3
80.05801	1.1
81.03423	1.9
81.07049	31.9
82.07353	1.2
83.04984	2.1
83.08611	4.1
85.02900	3.2
85.06498	0.5
89.03901	0.6
91.03946	1.2
91.05469	15.4
92.02615	5.4
92.05782	0.4
93.07035	47.0
94.07384	0.9
95.04958	19.0
95.08598	29.2
96.05274	0.8
96.08915	0.9
97.02897	1.0
97.10160	1.1
98.21498	1.3
100.02487	3.1
103.05473	2.6
103.86495	0.4
105.03393	6.0
105.04498	5.1
105.07023	9.9
106.07314	0.5
107.04950	6.7
107.08582	47.0
108.08910	1.2
109.06500	2.4
109.10143	1.8
115.05431	1.3
115.09376	0.4
117.03358	0.9
117.06992	5.1
118.03515	2.1
118.06519	0.6
119.04910	1.3
119.08553	2.9
121.06519	3.6
121.10132	48.6
122.07241	1.0
122.10466	1.6
123.08040	0.5
130.07782	3.9
131.04889	2.2
133.02843	27.0
133.10075	0.4
134.03163	1.7
135.04404	28.7
135.08038	11.6
135.11682	11.5
136.04723	1.5
136.08466	0.5
138.03123	1.1
143.08597	0.7
145.06473	0.8
145.10109	16.8
146.10440	0.7
147.07942	0.5
163.03886	100.0
163.07492	2.9
163.11163	24.1
163.14806	33.2
164.04268	5.7
164.07033	2.5
164.11581	0.7
164.15160	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.1116
Annotation	Lamoxirene
Peak:m/z	Relative Intensity
51.02369	0.7
53.03711	0.8
53.03942	10.6
55.01859	1.2
55.05504	6.5
57.07070	0.7
61.02904	2.4
61.27044	0.6
65.03926	1.0
67.05185	0.7
67.05502	10.6
69.03416	1.5
69.07063	4.6
69.88037	1.0
69.88439	2.4
73.02890	1.2
76.56854	0.6
77.03917	1.8
79.05487	28.5
80.05797	0.8
81.06594	1.0
81.07048	17.4
83.04974	2.3
83.08610	3.5
85.02900	1.7
91.05465	11.0
92.02630	3.6
93.07036	30.9
95.04385	0.8
95.04963	14.9
95.08598	15.3
100.02462	1.4
103.05450	2.5
105.03390	5.2
105.04502	4.8
105.07024	7.8
107.04945	4.8
107.08584	32.9
109.06512	2.3
109.10088	1.0
115.05441	1.0
117.06992	4.3
118.03464	1.0
119.04901	1.1
119.08577	3.3
120.02028	0.7
121.06500	2.7
121.10131	27.4
122.07253	1.5
123.08035	1.0
129.06961	0.6
130.06494	1.0
130.07806	3.2
131.04889	2.3
133.01834	1.3
133.02843	25.5
134.03166	0.6
135.04404	28.5
135.08041	11.4
135.11670	8.4
136.04808	1.1
145.06422	0.9
145.10112	15.8
163.03886	100.0
163.07512	3.4
163.11166	20.8
163.12569	1.1
163.14819	19.0
164.04385	4.1
164.07025	1.8
164.11563	0.6
164.15044	0.6
171.43802	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.1118
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02378	0.3
53.03941	1.8
54.03458	0.2
55.01872	1.2
55.05509	1.2
57.03421	0.3
57.07071	0.3
65.03937	0.6
67.05492	1.2
68.05008	0.3
69.03420	1.4
69.07066	2.5
70.68604	0.5
71.04938	0.3
77.03930	0.5
78.04688	0.3
79.05488	8.1
80.04986	0.2
81.03397	0.3
81.04516	0.3
81.07050	3.0
83.04962	0.6
83.08595	0.3
85.02892	0.3
89.03912	0.4
91.05476	4.8
92.02610	0.6
93.07037	7.5
94.07365	0.3
95.04965	4.3
95.06076	0.6
95.08595	1.6
96.06863	0.3
97.07645	0.2
100.02473	0.4
103.05460	11.3
104.06310	0.9
105.03381	0.8
105.04501	1.1
105.07025	4.9
107.04947	9.3
107.08582	7.4
108.05379	0.2
108.08860	0.2
109.06502	0.7
109.07616	0.2
115.05423	0.7
116.48536	0.2
117.03355	0.3
117.06229	0.3
117.07015	5.2
118.03477	0.4
119.04910	0.5
119.06072	0.4
119.08575	2.1
120.05656	0.2
121.06496	4.2
121.10123	2.9
122.07147	0.7
123.07962	0.7
129.06972	0.4
130.07771	1.6
131.04918	11.9
132.05345	0.3
133.02834	2.6
133.06482	3.3
133.10146	0.3
134.07233	0.3
135.04414	4.3
135.08038	4.5
135.11670	2.7
136.07613	0.2
136.08685	0.5
143.08517	0.4
145.02850	0.3
145.03955	0.2
145.06444	0.5
145.10115	9.7
146.07132	0.2
146.10422	0.2
147.08040	3.9
148.05130	0.3
148.08817	13.4
149.05963	3.0
149.09158	0.5
163.03905	12.5
163.07550	5.8
163.11160	100.0
163.14738	1.8
164.04359	0.3
164.07010	0.4
164.08290	1.5
164.11549	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.1116
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02362	0.5
53.03941	4.1
54.03444	0.4
55.01630	0.3
55.01860	2.5
55.05495	2.0
56.96556	0.4
57.03438	0.6
57.07053	0.4
65.03931	1.4
67.05505	2.2
68.05016	0.8
69.03421	2.9
69.07058	2.9
69.88264	1.6
77.03915	1.1
78.04714	0.4
78.95273	0.4
79.05485	14.2
80.05016	0.5
80.05824	0.5
81.03401	1.2
81.04516	1.1
81.07050	6.1
82.05347	0.7
83.04965	0.8
83.06081	0.4
83.08597	1.0
85.02896	0.9
89.03895	1.5
89.05956	0.3
91.05468	8.8
92.02611	1.4
93.07034	13.2
93.07634	0.7
95.04960	9.1
95.06042	1.8
95.08585	2.7
96.06841	0.9
97.07623	1.0
98.20867	0.5
100.02455	2.1
101.32792	0.3
103.05459	18.1
104.05788	0.4
105.03381	3.2
105.04494	2.4
105.07018	7.0
106.07298	0.4
107.04945	14.3
107.06039	0.8
107.08579	16.3
108.05637	1.0
108.08900	0.6
108.67432	0.4
109.06502	1.2
109.07620	0.5
115.05433	1.2
117.03380	0.7
117.07001	6.0
118.03486	2.3
118.06484	0.6
119.04933	1.5
119.06035	0.6
119.08560	3.3
120.05592	0.6
121.06483	4.5
121.10139	6.4
122.05917	0.3
122.07147	2.5
122.09664	0.4
123.08014	1.6
128.06271	0.5
130.06503	0.4
130.07761	2.5
131.04918	18.8
132.05322	0.6
132.08060	0.7
133.02835	10.2
133.06502	2.5
134.03233	0.7
135.04404	13.7
135.05392	0.6
135.08043	7.6
135.11673	3.6
136.04778	0.6
136.07568	1.3
136.08655	1.8
138.03122	0.4
141.19586	0.4
143.08537	0.5
145.02849	0.8
145.03931	0.7
145.06473	1.3
145.10106	10.1
146.07097	1.0
146.10471	0.4
147.08038	3.4
148.05113	1.3
148.06285	0.5
148.08815	12.9
149.05978	0.8
149.09294	0.4
158.96368	0.4
163.03889	44.1
163.07541	11.5
163.09872	5.0
163.11150	100.0
163.14771	4.6
164.04353	1.8
164.07039	2.1
164.08282	0.7
164.11577	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	163.0389
Annotation	5-Hydroxycoumarin
Peak:m/z	Relative Intensity
52.84156	0.6
53.03934	4.2
55.01861	1.1
55.05499	0.8
63.02352	1.4
65.03927	1.1
68.05007	0.8
69.03411	2.5
70.10874	0.5
70.64815	2.0
76.46707	0.5
77.03929	1.3
79.05486	15.5
81.03418	1.3
81.04536	2.3
81.07056	1.5
82.05289	0.8
83.06106	0.6
85.02853	0.8
89.03908	76.7
90.04221	1.6
91.05472	6.9
92.02612	1.1
93.07040	4.8
95.04963	7.8
95.06082	1.9
95.08598	1.2
97.07642	0.8
100.02473	0.8
103.05455	13.8
104.06277	0.9
105.03378	1.7
105.04515	2.7
105.07040	4.1
107.04942	20.9
107.06059	1.3
107.08579	6.8
108.05573	2.2
109.07639	1.6
115.05436	1.1
117.03368	52.3
117.06989	2.1
118.03662	1.6
119.04894	0.7
119.08582	1.6
120.05563	0.9
121.06489	3.1
121.10131	3.1
122.07137	3.6
123.07912	2.3
130.07802	1.4
131.04924	14.0
133.02824	4.6
133.06430	1.0
135.04402	100.0
135.08037	3.1
135.11665	1.8
136.04736	2.6
136.07632	1.1
136.08672	3.1
145.02835	36.3
145.03873	2.0
145.06470	3.8
145.07466	0.7
145.10103	5.2
146.03157	0.9
146.07111	1.5
148.05110	0.8
149.05980	1.9
163.03886	91.1
163.07526	7.1
163.09758	6.1
163.11160	10.3
163.12367	1.1
163.14769	1.4
164.04247	2.4
164.08257	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.1116
Annotation	Lamoxirene
Peak:m/z	Relative Intensity
51.02365	0.6
53.03942	5.2
55.01866	4.5
55.05507	6.5
57.03424	0.9
57.07067	0.6
60.02798	0.5
60.36964	0.6
65.03942	1.3
67.05496	5.4
69.03424	20.7
69.07062	4.0
70.99107	1.7
71.04986	2.7
74.39252	0.5
77.03922	1.0
79.05486	22.0
80.05846	0.6
81.03394	0.9
81.04554	0.7
81.06596	1.0
81.07050	17.7
82.05325	0.8
83.04967	1.7
89.03902	1.1
91.05473	22.5
92.05799	0.6
93.07037	65.9
94.07368	1.1
95.04957	9.5
95.06068	1.2
95.08587	2.2
103.05459	8.8
105.03394	0.8
105.04491	1.6
105.07021	32.5
106.07295	0.8
107.04961	6.3
107.08585	50.0
108.05607	0.5
108.08874	1.1
108.22588	0.6
109.06528	3.9
115.05459	1.4
117.07011	8.5
119.06078	1.0
119.07822	0.8
119.08585	11.2
121.06496	12.8
121.10137	12.7
122.07140	1.1
123.07949	1.7
128.56584	0.7
129.06993	0.9
130.07773	7.7
131.04042	0.8
131.04915	7.8
133.02826	2.6
133.06479	2.1
133.10114	1.1
135.04405	4.4
135.08044	5.7
135.10701	1.1
135.11678	17.7
136.07599	0.7
136.08662	1.3
143.08571	2.1
145.06398	0.6
145.10114	33.7
146.10451	0.6
147.08009	1.7
148.08838	4.6
163.03902	13.2
163.07550	4.2
163.11163	100.0
163.14819	2.5
164.07031	0.7
164.08267	0.6
164.11499	4.0
178.30009	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.1324
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02376	0.7
51.45202	0.5
53.03939	2.3
53.24174	0.5
55.01857	1.6
55.05507	9.5
57.07073	0.7
60.73809	0.5
63.29027	0.6
65.03925	1.0
67.05168	0.5
67.05489	3.2
69.07059	13.7
70.58724	1.1
71.01337	0.6
77.03896	0.8
79.05480	12.5
81.07052	6.2
83.08607	1.2
89.03903	0.9
90.04692	1.7
91.05471	18.8
92.05776	0.8
93.04521	0.9
93.07025	4.5
95.04977	1.6
95.08604	1.5
101.95088	0.5
103.05453	12.0
104.05746	0.7
105.07018	100.0
106.07344	3.9
107.04884	0.6
107.08587	3.8
113.02426	1.1
115.05437	10.8
117.07015	5.2
118.04147	7.5
118.06075	1.3
119.08563	88.6
119.95713	0.7
120.05580	0.8
120.08916	2.6
121.06421	2.3
121.10154	3.3
128.06201	1.9
130.07770	1.2
131.04926	2.1
131.08559	8.6
132.05629	1.0
132.09296	0.7
133.06479	20.5
133.10112	58.9
134.06020	0.7
134.07062	2.4
134.10454	1.6
143.04958	0.7
143.06047	2.1
143.08536	3.0
145.04771	3.1
145.10129	2.5
146.03653	1.1
146.05559	5.9
146.07256	3.3
146.10890	3.7
147.04424	0.6
150.08322	0.6
159.11662	5.2
161.05969	8.1
161.07950	14.4
161.09601	15.3
161.13237	80.6
162.05455	1.5
162.06650	0.7
162.13599	2.9
178.96611	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.1324
Annotation	Trinoranastreptene
Peak:m/z	Relative Intensity
53.00296	0.8
53.03938	1.5
55.01858	1.0
55.05506	10.1
59.06127	0.5
65.03953	1.0
66.71151	0.5
67.05496	4.7
69.03420	0.5
69.07063	14.0
71.13014	1.0
73.31380	0.5
77.03914	0.8
79.05484	8.7
81.07050	7.7
83.08591	1.6
89.96925	0.4
91.04900	1.0
91.05472	21.4
92.05816	0.5
93.04510	0.7
93.07036	6.1
95.04964	1.1
95.08588	1.8
103.05454	5.6
105.07021	89.4
106.07348	2.2
107.04926	0.8
107.06083	0.5
107.08563	3.8
115.05443	5.8
116.06304	0.5
117.07030	6.9
118.04163	2.9
118.07803	0.6
119.08570	100.0
120.05664	0.6
120.08904	2.3
121.06408	1.9
121.10138	4.1
128.06218	1.8
129.07004	1.4
130.07722	1.2
131.04892	1.2
131.08559	11.3
132.09279	1.1
133.06482	6.7
133.10118	74.1
134.06062	0.7
134.07124	1.8
134.10474	2.8
143.06064	0.9
143.08551	2.1
145.06482	0.6
145.10100	2.8
146.03596	1.7
146.05594	0.5
146.07219	3.3
146.10915	5.8
147.04407	1.2
159.11685	6.0
161.05981	5.1
161.08066	2.3
161.09601	15.8
161.13242	95.7
162.05475	1.7
162.06627	1.1
162.10141	0.5
162.13574	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	161.0597
Annotation	2,3-Dihydroxynaphthalene
Peak:m/z	Relative Intensity
51.02361	0.4
53.03938	2.1
55.01867	4.1
55.05491	0.3
65.03923	0.4
66.04707	1.7
68.02628	0.3
69.33033	3.0
73.06827	0.3
77.03924	0.8
79.05484	19.5
79.13785	0.3
80.05798	0.3
81.03404	0.4
81.07067	0.5
84.08133	0.6
89.03906	1.3
90.04684	3.5
91.05474	5.7
92.02619	0.7
93.04490	0.5
93.07030	0.6
94.04206	0.4
95.04963	4.0
97.02832	0.3
102.04698	0.7
103.05457	24.5
104.05784	0.7
105.04509	1.2
105.07018	100.0
106.07330	3.0
107.04932	1.2
113.02357	0.4
113.98492	0.3
115.05443	27.7
116.05772	0.8
117.06998	0.5
118.04148	19.8
118.56956	0.3
119.01859	0.7
119.04442	0.4
119.08569	3.4
120.05553	0.5
120.08098	0.3
120.23206	0.3
121.06368	1.3
128.06203	0.8
128.35796	0.3
131.04918	5.2
131.08553	0.7
131.50365	0.3
132.05699	1.2
133.06476	46.7
133.10123	3.3
134.03610	0.4
134.06017	0.3
134.06935	1.6
143.04942	0.7
143.06013	4.1
143.08530	1.0
146.03627	1.2
146.07288	0.9
147.04443	0.8
161.05974	10.5
161.08202	1.2
161.09608	6.2
161.10938	0.4
161.13190	1.8
162.05351	0.6
162.06610	0.7
167.58987	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.0595
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.5
55.01869	4.9
55.05497	0.6
59.06117	0.3
65.03927	0.4
66.04708	1.6
67.05499	0.5
67.10678	0.3
68.05012	0.4
69.03397	0.8
69.07065	0.4
70.77028	0.6
70.77342	0.5
75.10841	0.4
77.03925	0.9
79.02982	0.3
79.05483	20.2
81.07037	0.7
84.04491	1.0
84.08127	0.9
85.02913	0.5
88.61708	0.3
89.03913	1.2
90.04684	3.0
91.05475	6.9
92.02617	0.6
93.04534	0.6
93.07033	0.9
95.04961	4.5
97.02895	0.4
100.75877	0.3
102.04686	0.8
102.05521	0.3
103.05453	23.1
105.04501	1.1
105.07017	100.0
106.07357	3.1
107.04929	1.3
107.06086	0.3
113.02372	0.7
113.07172	0.4
115.05440	27.3
116.05727	0.7
117.07008	0.8
118.04146	17.5
119.08565	5.0
120.05571	0.9
120.08084	0.4
121.06364	1.8
128.06212	1.1
130.04128	0.4
131.04915	5.1
131.08566	0.8
132.05661	1.0
133.06473	46.6
133.10095	4.1
134.06946	2.2
134.55104	0.3
137.96790	0.4
143.04936	0.7
143.06010	4.3
143.08533	1.5
146.03606	0.9
146.07286	1.1
147.04399	1.0
161.05960	10.6
161.08148	1.2
161.09601	5.9
161.13246	3.8
162.05478	1.0
162.06670	0.5
162.09160	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.0596
Annotation	Unknow
Peak:m/z	Relative Intensity
52.51093	0.4
53.03945	2.3
55.01863	4.2
55.05506	0.7
56.13952	0.5
59.06109	0.9
60.04507	0.9
66.04716	1.7
67.05486	0.6
69.03423	1.6
69.39611	2.1
69.40042	1.8
75.61972	0.5
77.03940	0.5
79.05489	17.7
79.54398	0.4
80.05805	0.6
81.03396	0.5
81.07042	0.5
84.04497	2.4
84.08138	1.0
85.02910	0.9
86.06029	0.5
89.03902	1.3
90.04694	2.8
91.05473	9.1
93.04544	1.1
93.07035	1.4
94.04716	0.4
95.04958	4.3
97.02902	1.0
102.04667	1.1
103.05458	23.0
105.03387	1.4
105.04535	1.2
105.07022	100.0
106.06567	0.7
106.07356	2.3
107.04943	1.4
107.06091	1.6
113.02368	1.5
115.05445	26.3
116.05790	0.7
117.07005	1.3
118.04153	16.7
119.04952	1.1
119.08564	7.6
119.95750	0.4
120.05612	1.3
120.08060	0.7
121.06377	3.4
126.50169	0.4
128.06212	1.5
130.04156	0.9
131.04916	4.9
131.08557	1.1
132.05727	1.2
133.02869	1.2
133.06480	45.4
133.10130	7.3
134.03563	0.7
134.05963	1.3
134.07030	2.8
137.96922	0.7
143.04950	1.1
143.06044	4.2
143.08539	1.7
144.05562	0.5
144.06598	0.9
145.06480	0.6
146.03601	2.4
146.07268	1.2
147.04385	1.7
161.02365	1.1
161.04639	0.5
161.05969	13.1
161.08202	3.0
161.09608	10.9
161.13240	6.1
162.05495	2.3
162.06647	1.0
162.09056	0.8
162.10306	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.0295
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	0.1
55.01858	0.3
56.96558	3.8
57.03434	0.9
58.99862	0.3
60.04527	0.2
60.95850	0.5
61.02930	0.2
67.05499	0.2
69.03413	1.2
69.24497	0.2
69.89970	0.6
69.90378	0.2
70.06590	0.3
71.04987	0.3
71.95252	0.2
72.08137	0.3
73.02916	0.6
73.43469	0.2
74.06033	0.2
77.00921	0.2
81.03394	0.5
82.99821	0.9
84.04456	0.2
84.08131	1.2
84.96004	0.2
85.02888	1.1
87.04458	0.2
91.05476	0.4
95.04991	0.2
96.01532	0.3
97.02875	1.6
98.01286	0.4
98.97569	1.7
100.02507	0.5
100.97188	0.4
100.98003	0.2
101.00867	15.4
101.52454	0.2
101.95036	1.1
101.97171	0.4
102.00936	1.3
102.96856	1.2
103.00603	0.3
103.02458	0.3
103.05466	0.2
105.07017	0.8
107.04945	1.3
109.02833	0.2
110.01352	0.2
113.02513	0.7
113.03277	0.2
114.04205	0.3
115.02368	0.3
115.92365	0.2
116.98616	1.4
117.03903	0.3
118.03498	0.7
119.01909	100.0
119.96034	0.5
119.98167	0.2
120.01997	7.9
120.08088	0.4
120.97879	1.5
121.01620	1.4
121.02370	0.3
121.03345	0.2
122.03069	1.4
122.53242	0.2
124.02481	0.2
125.02506	0.2
125.51592	0.2
128.02248	0.2
128.98648	0.3
129.03941	0.2
131.01883	0.5
131.04848	0.2
132.03464	0.2
133.01668	0.6
133.03441	1.3
133.06473	0.5
133.10168	0.2
134.99612	0.8
136.02762	0.3
137.02942	45.0
137.97057	0.3
138.03040	3.1
138.98924	0.7
139.02489	0.3
139.03497	0.2
142.03471	3.2
143.01976	1.0
143.03661	3.0
144.03220	0.7
144.10194	0.2
145.03493	0.3
146.99593	0.3
147.01379	0.3
147.03273	0.3
147.05043	0.3
151.02739	0.3
151.04434	0.2
157.03461	1.1
158.99597	0.2
159.03214	0.4
159.05002	0.5
160.04532	0.9
161.01437	0.3
161.02933	5.5
161.04623	2.8
161.05942	0.2
161.09473	0.3
162.03122	0.3
162.04297	1.0
162.05418	0.2
162.09100	0.2
166.05130	0.2
173.02945	0.3
175.04562	0.2
177.00821	0.2
177.04373	0.8
177.05807	0.2
179.03990	6.6
179.05611	0.9
180.03949	0.2
180.05420	0.3
184.04440	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.0295
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	0.8
54.19507	0.2
55.01867	2.1
55.05498	0.9
56.05026	0.6
56.96294	0.5
56.96559	6.6
57.03430	5.0
58.06594	0.6
58.96145	0.3
58.99852	1.9
59.04993	1.1
60.01360	0.3
60.04491	0.3
60.95858	0.4
61.02914	3.6
69.03418	5.9
70.03764	0.3
70.06583	0.9
70.99846	0.8
71.01343	0.8
71.04982	2.1
71.06911	0.7
71.51631	0.3
71.52056	0.3
71.95248	0.3
72.08144	1.5
73.02910	6.2
74.03252	0.3
74.06072	0.3
75.01885	0.4
76.07633	0.4
77.00912	1.9
78.52950	0.3
79.05506	0.3
81.01900	1.2
81.03406	4.1
82.01446	0.3
82.02683	0.4
82.99818	1.2
83.01344	0.7
83.04980	0.9
83.97623	0.4
84.04491	1.6
84.08134	2.7
85.01405	0.3
85.02896	7.2
86.03246	0.4
86.06058	1.3
86.97537	0.3
86.99334	0.3
87.01897	1.3
87.04465	0.5
88.02658	1.6
88.07614	0.3
88.52772	0.3
88.99128	0.3
89.00835	1.2
89.02518	0.4
89.03451	0.8
90.01544	0.4
90.02419	0.6
91.00520	0.9
91.05435	0.4
92.01273	0.3
93.01907	1.2
93.51973	0.3
94.01795	0.3
94.02644	1.4
95.01978	0.6
95.03455	0.4
96.01521	0.3
96.02412	2.0
96.08124	0.3
97.02875	11.8
97.08450	1.0
98.01279	1.2
98.03180	0.9
98.03963	0.9
98.06046	0.5
98.09695	0.3
98.52826	0.3
98.97576	4.5
99.04452	1.1
100.01023	0.4
100.02536	1.1
100.97175	0.4
101.00864	20.2
101.03433	0.8
102.00954	1.6
102.01765	0.4
102.02390	2.7
102.05534	0.4
102.52515	0.6
102.96828	0.6
103.00625	0.8
103.02428	2.4
103.03183	0.8
103.03879	0.5
103.05477	0.3
104.01270	0.4
105.00336	0.7
105.02141	0.7
105.07010	1.5
107.01735	0.4
107.03400	0.4
107.04433	0.4
108.02386	0.9
108.04179	0.6
109.02838	2.0
109.52163	0.4
110.01278	0.8
110.03251	0.3
110.03963	1.0
110.97559	0.8
111.02151	0.5
111.02901	2.4
111.53015	1.1
112.00999	0.9
112.02801	0.8
113.00857	1.3
113.01587	0.2
113.02399	0.4
113.03409	0.3
114.02439	0.6
114.09131	0.5
115.02430	2.7
115.03160	0.5
115.03979	0.3
115.09505	1.4
116.03951	0.9
116.05762	0.5
116.07088	0.4
116.10687	0.3
116.51154	0.3
116.98612	3.2
117.02148	0.5
117.02900	0.9
117.03904	0.4
117.04727	0.6
118.01081	0.4
118.03577	0.9
119.01902	100.0
120.01976	7.4
120.03358	0.5
120.53577	0.4
120.97905	0.8
121.01581	3.7
121.03455	1.8
123.02984	1.0
123.04710	0.4
123.51890	0.3
124.02402	0.3
125.04459	0.4
127.02426	0.3
127.03938	1.4
128.02284	1.5
128.03955	0.3
128.98596	1.4
129.03944	3.5
130.03932	0.3
130.08592	0.3
131.01881	5.9
131.03516	0.3
132.02002	0.7
132.03429	2.9
132.52341	0.3
133.01666	1.0
133.03447	10.7
133.06529	0.7
133.10117	0.4
134.03540	1.5
134.99611	1.4
135.03197	1.2
137.02936	37.8
138.03056	2.4
138.98892	0.4
139.02516	1.0
139.04262	0.3
140.02321	0.5
141.03911	1.2
142.03479	4.0
143.00189	0.6
143.01877	9.8
143.03563	1.8
143.08902	0.4
144.02077	0.6
144.03220	0.5
144.06551	0.5
144.10190	1.0
145.03455	2.2
145.04904	0.3
146.03569	1.3
146.04991	0.9
146.99606	1.5
147.01355	2.0
147.03191	1.1
147.05019	5.2
148.00084	0.3
148.01407	0.2
148.05186	0.8
149.02911	1.6
149.04784	0.4
151.04527	2.2
152.04849	0.5
153.00755	0.3
153.04207	0.4
155.01923	1.3
156.01991	0.4
157.03444	10.3
158.03677	0.5
158.99658	0.7
159.03162	0.4
159.03487	0.4
159.04997	6.2
160.04630	0.9
161.02937	21.6
161.04327	0.7
161.05739	1.4
161.10025	1.3
161.11148	0.3
161.12859	0.7
162.03073	1.6
162.04276	0.4
162.05432	0.4
162.11267	0.4
163.02769	0.3
163.04443	0.3
165.02515	0.3
165.06105	0.7
170.06038	0.3
171.05058	1.3
173.02937	2.7
174.03093	0.9
175.02914	0.5
175.04504	3.8
176.04668	0.4
177.00793	0.7
177.04500	0.4
177.06053	3.1
178.06223	0.6
179.02419	0.3
179.03970	4.3
179.05583	0.7
180.05165	0.7
181.56889	0.3
182.06648	0.4
183.04977	0.5
184.04550	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	159.1167
Annotation	(1,2,3-Trimethyl-2-cyclopropen-1-yl)benzene
Peak:m/z	Relative Intensity
55.01852	2.3
55.60609	1.2
67.05486	4.6
69.59336	8.2
70.24528	1.1
71.04985	1.1
72.04511	1.6
76.93362	11.7
79.05470	5.0
81.07037	4.7
85.02891	1.7
91.05465	21.0
93.07059	1.6
94.17344	1.2
94.94385	4.4
103.03269	1.0
105.07032	16.1
107.68832	1.0
113.02364	7.2
113.03628	1.3
114.05503	1.6
115.05440	6.6
116.06248	2.0
117.07005	60.3
117.95980	9.6
118.07272	1.8
118.96751	2.4
119.08561	4.1
126.34789	1.2
129.07005	11.1
130.07784	15.8
131.02850	1.2
131.04918	1.4
131.08556	91.6
132.08894	3.3
135.97011	6.1
141.01804	18.6
144.09322	12.6
157.10121	2.2
158.98598	1.9
159.06836	1.8
159.08075	5.4
159.10126	4.0
159.11673	100.0
160.12012	5.8
171.38350	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	160.0756
Annotation	N-Hydroxy-1-aminonaphthalene
Peak:m/z	Relative Intensity
55.05519	0.3
56.05048	0.3
58.06602	0.5
59.06133	0.5
65.42882	0.2
67.05524	0.3
71.06487	0.5
72.08151	0.3
79.05484	1.5
81.07057	0.3
86.45376	0.3
91.05473	1.6
100.58039	0.3
101.94954	0.3
103.05470	1.7
105.07024	8.1
105.07690	0.5
112.05167	0.3
114.05518	0.3
115.05457	1.9
117.05753	11.1
117.07017	0.5
118.04174	1.1
118.06598	0.5
118.96761	0.7
119.08595	2.1
121.06413	0.4
126.94304	0.3
130.06516	0.6
131.04858	0.3
131.07312	0.8
131.08377	0.3
132.08067	6.0
132.09007	0.6
133.06476	3.1
133.10095	1.4
134.07112	0.4
144.04431	31.0
145.05217	49.1
146.03676	0.3
146.05588	1.2
160.07562	100.0
161.04700	0.3
161.05977	1.5
161.07895	3.4
161.09586	1.1
161.13219	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.0295
Annotation	Unknow
Peak:m/z	Relative Intensity
52.23711	0.2
56.38758	0.2
58.99850	0.2
69.89758	0.4
69.90167	0.7
77.00976	0.2
82.22913	0.2
82.99818	1.0
93.21804	0.2
94.55544	0.2
96.74150	0.2
98.97569	0.3
100.02479	0.5
101.00869	18.3
102.00904	1.4
102.96866	0.3
103.00595	0.3
105.07001	0.3
116.98620	0.3
118.03519	0.5
119.01909	100.0
120.01993	6.9
120.03192	0.2
120.97860	0.2
121.01630	0.8
121.02390	0.5
124.02422	0.3
133.98062	0.5
136.48367	0.6
137.02942	41.3
138.03033	2.7
138.98891	0.2
139.02502	0.2
142.03491	2.8
143.01944	0.2
143.03645	2.2
144.03207	1.0
145.48853	1.1
146.60164	0.2
157.03471	0.4
160.04555	1.1
161.02937	3.5
161.04657	2.3
162.03099	0.2
162.04309	0.5
168.32637	0.2
179.04001	6.3
179.05589	1.1
180.04065	0.4
184.04631	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	157.0494
Annotation	1,6-Dihydroxycyclohexa-2,4-diene-1-carboxylate
Peak:m/z	Relative Intensity
53.03944	1.2
55.01861	1.7
55.05497	0.8
56.96566	0.4
59.04981	0.4
61.01952	0.2
63.90511	0.3
65.03932	1.3
66.17617	0.2
67.01862	0.5
67.05502	0.3
68.02637	5.4
68.99782	0.4
69.03424	1.3
69.81011	0.8
69.81437	0.6
72.93806	0.3
74.93800	0.5
79.01842	1.1
81.03423	1.1
83.01332	1.4
83.04969	11.3
83.05469	0.6
87.04437	1.2
95.04964	3.6
97.02879	2.3
98.03662	0.4
98.97565	1.0
100.42085	0.2
111.04427	52.0
112.04739	1.4
113.06017	0.6
115.96410	0.3
116.97223	0.6
116.98593	0.7
129.60002	0.2
134.99680	0.5
140.04674	0.5
157.04942	100.0
158.05284	2.6
177.38657	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	158.0125
Annotation	Unknow
Peak:m/z	Relative Intensity
54.98643	0.3
55.05492	0.3
56.96560	18.0
57.03421	0.3
57.93563	0.4
70.21748	0.8
70.22152	0.6
71.95258	3.2
75.94687	0.3
85.33885	0.3
97.99202	0.5
98.09689	0.6
98.97575	100.0
99.97898	0.6
100.02515	0.3
101.00839	0.5
103.00626	0.3
116.00211	0.5
116.01970	0.4
116.98610	83.5
117.98944	0.5
118.03506	1.2
119.01891	3.1
120.02068	0.3
121.01667	1.6
131.00204	0.5
134.01297	0.4
134.02954	2.8
134.99643	39.6
137.02914	0.8
139.02682	1.0
140.00163	2.4
141.00444	0.3
144.03242	0.7
149.92516	0.3
152.96941	0.5
153.00674	5.2
158.01245	2.4
158.15439	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	156.0505
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.2
53.82918	0.2
55.01859	0.8
55.05497	0.3
55.93520	0.6
56.05025	1.3
56.96557	11.6
57.03430	0.9
58.99864	0.9
59.99940	0.3
60.78224	0.2
60.95840	0.7
67.01854	0.3
67.05498	0.3
68.05013	0.4
69.03423	0.9
69.04536	0.3
69.07066	0.5
69.25893	2.0
70.06602	0.4
70.95856	10.7
70.99854	0.3
71.06138	0.2
71.94105	0.3
71.95257	0.4
72.04521	0.3
72.08144	0.6
72.93781	9.1
73.02903	0.4
73.93806	0.2
74.97607	0.6
77.00901	0.9
78.52969	0.5
81.03411	0.5
82.01451	0.9
82.06559	0.4
82.99823	1.3
83.04967	0.2
83.06098	0.8
84.08120	0.4
84.25272	0.2
84.95999	0.3
84.99770	0.4
85.01404	0.8
85.02899	0.4
85.07666	0.9
88.96892	2.6
89.00848	0.3
90.94824	2.0
91.05459	0.3
93.04508	0.5
95.06096	0.5
96.04478	0.3
96.08090	0.2
96.50549	0.6
97.02869	0.6
97.07646	0.4
97.99169	0.3
98.06054	0.3
98.07179	0.6
98.09712	0.2
98.97577	2.6
100.02470	4.9
101.00867	19.7
102.00912	1.1
102.02204	0.5
103.02431	3.6
105.00327	0.3
106.97913	0.4
108.95827	0.2
109.02879	0.5
110.06026	0.5
110.07156	5.7
110.09676	0.9
110.97547	0.3
111.04424	0.6
111.08121	0.3
111.09167	0.4
111.98466	3.4
113.00815	0.2
113.10802	0.2
113.96391	0.5
114.00948	0.4
114.04011	0.8
115.00631	1.2
115.02406	2.0
115.96497	0.2
116.01944	0.4
116.98602	2.5
117.03992	0.8
118.01133	0.3
118.03514	3.0
118.10933	0.2
118.52412	0.2
119.01905	100.0
120.01989	4.5
120.98080	0.4
121.01614	0.7
121.02406	0.2
121.03489	1.8
122.03704	0.3
124.02428	2.1
126.01808	0.6
127.00773	0.7
128.98573	0.7
129.99492	1.9
130.99191	0.2
131.01888	2.2
131.50807	0.2
131.96185	0.3
132.02010	4.1
132.05051	4.8
132.95801	9.6
133.00677	0.5
133.01677	5.1
133.03453	16.8
134.02846	1.3
134.99634	1.5
135.05034	0.6
136.04538	0.4
137.02937	36.8
138.03032	1.9
138.05481	0.6
139.00694	0.5
139.03479	0.3
139.06548	0.3
139.99724	0.4
141.00481	0.3
141.06419	0.5
141.50574	0.3
142.03481	34.1
143.03598	1.3
144.04988	0.3
145.03485	0.5
146.99648	0.7
147.03745	1.6
147.04913	0.5
148.01308	0.5
149.01186	0.6
150.03059	0.8
150.06110	4.1
150.96857	21.3
150.99083	0.8
151.02658	1.6
151.04509	5.8
151.06300	0.5
151.97047	0.4
151.99771	0.4
155.97406	1.1
155.99565	0.5
156.02011	0.6
156.03224	0.8
156.05026	3.3
156.06372	0.4
156.07634	0.5
156.10149	0.5
156.11333	0.7
157.01619	0.4
157.03442	1.4
157.04677	0.4
160.02306	0.4
160.04536	12.5
161.03018	0.4
161.04694	0.6
162.99112	0.3
165.05000	1.9
168.97966	0.8
173.98492	1.0
174.00696	0.5
174.03067	0.9
174.06111	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	155.1066
Annotation	(2E)-2,6-Dimethyl-2,5-heptadienoic acid
Peak:m/z	Relative Intensity
53.03941	2.3
54.03468	0.8
54.23816	0.7
55.01873	2.5
55.05506	10.3
55.93513	3.5
56.05033	1.3
56.96560	2.3
57.03428	2.3
57.04564	1.4
57.07069	5.1
58.06588	1.4
59.05000	4.8
59.06117	2.7
60.04512	2.0
61.02924	2.6
65.03933	5.6
67.05500	44.4
68.05027	2.7
68.05821	1.0
68.99781	1.1
69.03426	43.6
69.04535	2.0
69.07064	10.0
69.79559	3.0
69.96180	2.0
70.02937	0.8
70.06586	2.5
70.95860	38.7
71.01346	10.5
71.04986	27.0
71.06096	1.5
71.94103	1.2
72.04507	2.8
72.08142	1.8
72.93783	100.0
73.02937	0.8
74.04829	0.9
74.06104	0.8
75.76359	0.6
79.05483	2.9
79.64973	0.6
80.04976	0.6
81.03407	5.0
81.04540	2.4
81.07050	14.1
82.06577	1.6
82.07387	0.9
83.04976	12.5
83.06087	2.9
83.08603	0.9
83.78874	0.6
84.02117	0.7
84.04494	2.7
84.08145	1.7
85.02896	3.7
85.06538	9.3
85.07658	0.8
85.10184	0.7
86.06042	0.6
87.04471	0.9
87.05577	0.9
88.79880	0.6
88.96898	13.7
89.02412	1.3
90.94820	28.3
91.05482	2.1
93.03385	1.3
93.07030	4.5
94.95724	0.6
95.01316	1.0
95.04959	17.7
95.06032	1.5
95.08603	18.7
95.14393	0.7
96.04511	1.2
96.05607	2.7
96.08080	0.7
97.04005	2.3
97.06527	11.4
97.07642	1.8
97.08971	0.7
98.07172	2.9
98.09649	0.6
98.21412	1.0
98.98455	3.1
99.04452	17.8
99.05574	2.0
100.03964	1.1
103.05452	0.8
105.04521	0.8
106.97946	2.3
107.04959	1.3
107.08602	2.4
108.05579	1.0
108.95850	7.0
109.02872	6.8
109.06512	6.1
109.07655	2.8
109.10148	69.3
110.02496	0.8
110.06010	2.8
110.07188	4.9
110.07840	1.0
110.09743	1.2
110.10497	2.4
111.04431	14.7
111.05579	1.7
111.08097	4.6
111.09196	1.8
111.98462	14.2
112.01575	2.3
112.05109	1.0
112.08711	1.1
113.02401	1.1
113.05994	32.9
113.07209	1.7
113.08251	2.7
113.09629	1.8
113.96396	32.2
114.05488	1.1
114.06676	5.2
114.10291	1.2
114.94786	0.9
114.96754	0.7
119.08584	2.7
120.05609	2.1
121.03975	0.7
122.07272	11.0
123.04409	4.4
125.02348	0.9
127.03906	10.8
127.07552	4.6
127.08495	0.8
128.04276	0.7
128.07103	1.6
128.08163	1.0
129.05472	2.2
129.99498	10.1
131.96364	1.3
131.97426	35.0
132.95824	34.3
137.02322	2.6
137.06049	3.3
137.07016	1.1
137.07994	1.6
137.09607	40.0
138.05605	1.1
138.06592	4.8
138.10045	2.0
140.04710	3.3
141.06898	0.8
149.97206	7.3
149.98352	1.4
150.00711	1.9
150.96877	98.2
151.97725	0.7
154.99007	2.6
155.03398	8.8
155.04538	0.7
155.05762	1.1
155.07042	21.2
155.08194	2.0
155.09251	4.3
155.10670	13.2
155.11819	0.7
155.12906	2.5
155.14110	0.6
155.97414	6.3
156.06514	0.9
156.07687	3.9
156.11292	1.2
167.98215	1.5
168.97935	4.2
173.98470	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	155.0464
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.7
54.03456	0.6
54.93844	1.2
55.01867	2.0
55.05508	15.0
55.93510	4.1
56.05032	2.7
56.05851	1.0
56.96560	94.8
57.03437	3.2
57.04548	0.7
58.99861	1.9
59.04999	0.7
59.06113	1.3
60.04533	0.8
60.95859	0.7
61.02922	2.2
65.03938	4.7
67.05501	4.3
68.05019	1.8
68.99807	0.8
69.03423	6.4
69.04546	1.3
69.07036	0.7
69.65896	3.9
69.96174	12.1
70.06592	1.1
70.95860	45.5
70.98100	1.1
71.01357	1.0
71.04993	1.7
71.94092	5.6
71.95252	1.9
72.04528	1.4
72.08155	1.0
72.93781	67.6
72.96040	2.0
73.02913	3.4
73.06549	11.1
74.97605	2.2
77.00898	1.5
79.05486	1.2
80.05022	0.8
81.03416	6.6
81.04529	1.9
81.07042	4.0
82.01443	1.1
82.06590	1.0
83.02591	0.7
83.04973	7.2
83.06096	1.7
83.97632	2.2
84.04491	1.4
84.96021	1.1
85.02896	7.0
86.06065	1.1
87.04443	1.0
87.97231	0.7
88.96896	14.5
89.00806	0.7
89.95150	0.6
90.94816	16.2
91.00527	0.7
91.05501	0.8
92.03123	0.9
93.03391	1.8
95.01317	0.7
95.01969	0.6
95.04972	5.1
95.06116	1.1
95.08601	1.2
96.04513	1.4
97.02873	5.7
97.03989	1.0
97.07619	1.5
97.99159	1.3
98.01310	0.9
98.07196	2.1
98.97572	23.2
98.98449	1.4
99.04461	3.3
99.05582	0.7
100.02470	8.3
101.00863	2.9
101.02406	0.6
101.98664	0.6
102.03349	1.5
103.02402	1.8
106.97926	2.0
108.95847	2.8
109.02876	5.2
109.06480	2.4
109.07635	1.7
109.10138	1.6
110.01237	1.0
110.03067	1.2
110.06023	2.0
110.07177	3.5
110.97561	2.5
111.03836	0.9
111.04450	10.0
111.08064	1.0
111.98465	15.1
112.01639	1.5
112.07578	0.7
113.00857	4.0
113.02444	1.1
113.06003	3.9
113.07142	0.6
113.96392	16.0
113.98630	9.7
114.00944	0.9
114.06639	2.5
114.94759	1.5
116.00207	2.1
116.98619	12.4
117.03845	0.7
118.03513	5.4
119.01905	12.6
119.97277	1.7
120.02040	1.2
120.05575	0.9
121.01582	1.3
123.04433	1.8
125.03584	1.5
127.03905	8.9
127.07495	3.1
128.02271	1.3
128.07083	0.8
128.97791	2.2
128.98607	2.5
129.02232	2.3
129.05476	1.1
129.99516	9.5
130.01715	1.0
131.00905	1.4
131.01894	30.4
131.96140	18.6
131.97423	15.5
131.99673	23.2
132.01978	4.4
132.05058	7.0
132.95824	40.9
133.01633	1.2
133.03430	3.7
133.04369	0.8
134.01280	1.9
134.99640	6.0
137.02283	2.5
137.03038	1.9
137.05959	1.9
137.06999	0.7
137.08191	0.6
137.98357	2.9
138.06454	2.0
140.04669	1.4
140.47295	0.7
142.03430	1.1
143.00163	0.7
145.01733	0.7
145.03459	1.3
146.04095	0.8
146.99634	2.8
147.03271	6.5
148.02776	1.6
149.01189	1.3
149.02951	7.3
149.97192	40.9
150.00720	25.5
150.02412	1.2
150.06055	5.7
150.96872	100.0
151.04439	0.8
154.03468	1.2
154.90738	2.6
154.97740	1.0
154.99016	1.2
155.01869	2.1
155.03381	5.9
155.04636	13.5
155.07005	9.5
155.08150	1.2
155.09238	1.9
155.11781	1.6
155.12918	0.7
155.54793	1.3
155.97366	3.9
155.99606	1.2
156.03015	0.9
156.04988	1.1
156.07660	1.5
158.99667	7.3
164.05144	3.4
164.55371	0.6
165.04358	4.9
166.55498	1.0
167.98232	4.8
168.01767	3.4
168.96600	0.9
168.97896	4.6
172.95262	0.8
172.98782	1.8
173.01167	1.6
173.02838	4.8
173.98491	8.8
174.00630	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	155.1065
Annotation	(2E)-2,6-Dimethyl-2,5-heptadienoic acid
Peak:m/z	Relative Intensity
53.03929	4.0
55.01849	3.5
55.05505	17.1
55.93509	1.2
56.39933	1.1
57.03414	5.0
57.07074	7.8
59.04552	1.3
62.51742	1.2
65.03925	2.5
67.05139	1.3
67.05499	26.3
68.99784	25.4
69.03407	5.5
69.07047	8.8
69.96184	2.8
70.95847	5.8
71.01346	66.0
71.04976	7.6
71.08616	2.2
71.94093	2.1
72.01692	1.2
72.93781	100.0
73.02896	2.3
79.05450	3.6
81.03410	11.3
81.07056	11.9
82.06523	2.7
83.04971	11.7
83.08599	4.0
84.04500	1.4
85.02907	6.7
85.06526	3.6
85.10159	2.5
88.96893	3.3
90.94817	40.0
91.05455	2.6
91.72981	1.3
93.07030	2.8
95.04961	11.1
95.08584	10.7
97.02857	1.3
97.06517	2.2
98.98462	14.2
99.03857	2.1
99.04449	26.2
108.95850	12.4
109.02876	4.1
109.06509	4.8
109.10170	7.6
110.06013	3.5
111.04415	10.5
111.08071	1.7
111.98457	1.9
113.02386	1.2
113.05991	38.6
113.96388	50.1
116.14840	1.3
119.08547	1.6
123.04388	1.5
127.03893	5.3
127.07540	6.9
127.08421	1.1
128.03447	1.8
128.07004	1.6
128.66737	1.2
129.05434	1.5
131.96188	3.6
131.97418	57.7
132.95844	6.3
132.97528	1.8
137.02351	1.6
137.05948	4.0
140.04607	1.5
148.43887	1.2
149.97188	12.8
150.96878	16.2
153.06888	1.6
154.99019	13.1
155.03391	9.4
155.07054	22.0
155.08260	2.9
155.10649	66.8
155.97374	1.8
156.06552	2.7
172.98766	1.2
173.98398	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	155.0187
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44988	0.5
55.94611	0.6
56.96558	6.1
57.03424	1.1
58.99857	3.8
61.02894	0.7
64.08765	0.5
67.70580	0.5
69.96178	1.2
70.95847	2.2
70.99832	2.1
71.03707	0.9
71.94087	0.8
72.93787	6.4
73.02898	1.7
73.68202	0.4
74.97621	0.5
77.00910	2.7
81.03427	0.6
82.01439	2.7
82.99809	1.2
83.00777	0.6
83.04941	0.7
84.52950	0.5
85.01360	0.5
85.02877	1.0
86.99308	0.9
89.00883	1.5
90.94818	1.1
93.04507	0.5
94.99829	1.1
95.01942	0.6
97.02850	0.6
98.97563	1.8
100.02473	13.5
101.00869	17.7
102.00977	0.7
102.02405	0.6
103.02444	2.0
104.01330	0.7
105.00349	1.3
105.41829	0.5
107.77187	0.5
110.07159	3.2
110.97546	1.1
111.98454	0.7
113.00846	15.8
113.96355	2.5
114.00962	1.9
114.04014	1.3
115.02461	0.6
116.98618	1.0
118.03509	7.7
119.01907	60.9
120.02029	2.1
120.03486	0.5
120.83070	0.5
121.03452	0.7
124.02432	1.3
128.98601	1.8
131.01892	100.0
131.96144	3.4
131.97433	1.7
132.01926	9.2
132.05046	5.2
132.95851	3.3
133.01624	1.6
133.03441	5.5
137.02940	15.4
138.06319	1.1
138.09085	0.8
141.03712	0.6
141.05128	0.6
142.03482	14.2
145.03471	2.0
146.99649	1.4
149.02943	23.9
149.97169	6.8
150.03046	1.6
150.06100	2.3
150.96889	5.0
151.04517	1.4
154.03511	3.6
155.01875	7.7
155.03644	1.2
155.11784	0.8
157.03477	0.8
160.04565	4.3
165.05057	0.7
167.98259	0.7
173.02951	14.7
173.04494	0.8
174.03015	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	154.0862
Annotation	Unknow
Peak:m/z	Relative Intensity
50.58869	0.2
53.03934	0.6
55.05508	5.4
56.05033	1.2
56.05833	0.3
56.96550	0.6
57.03431	0.3
57.07058	0.6
57.50257	0.3
58.06598	0.5
59.04993	0.3
60.04518	0.2
65.03914	0.8
66.04246	0.3
67.05505	2.0
68.05019	1.1
68.96329	0.6
69.03413	1.1
69.04556	0.4
69.07050	0.9
69.96144	0.4
70.06593	1.5
70.94268	0.3
71.04988	0.9
71.06113	0.3
71.13278	0.6
71.94083	1.0
72.04478	0.4
72.08146	0.4
72.93785	13.7
74.04786	0.3
79.05490	2.8
80.05013	0.5
80.05812	0.4
81.03414	0.5
81.07051	8.5
82.06577	1.4
82.07356	1.5
83.04968	1.4
83.06107	0.7
83.07333	0.4
83.08604	1.4
84.04479	0.9
84.08121	0.7
84.84969	0.2
85.07663	0.4
87.04461	0.6
90.94825	3.8
91.05473	0.9
93.05782	0.6
93.07043	0.6
94.06570	0.7
94.07360	0.7
95.04983	1.8
95.06110	1.2
95.08610	1.3
96.04464	1.0
96.05637	0.3
96.08118	0.7
97.05275	2.5
97.06459	0.5
97.07648	0.7
98.06044	3.2
98.09687	1.7
98.98420	0.3
99.04449	0.7
99.05562	0.4
99.09230	0.3
108.04465	0.5
108.08105	3.1
108.08887	0.7
108.95850	0.6
109.02845	0.7
109.05805	0.4
109.06511	5.4
109.07619	1.6
109.08318	0.4
109.09473	0.2
109.10149	1.5
110.06033	5.4
110.06799	0.5
111.04440	1.6
111.05602	0.4
111.06827	4.1
111.08066	0.4
111.09177	1.5
112.01620	0.3
112.04764	0.6
112.08759	1.3
113.05983	0.7
113.07151	0.6
113.10786	0.4
113.96388	6.3
118.06555	0.3
123.04403	0.3
124.07571	0.6
125.08348	1.1
126.05513	0.5
126.06353	0.5
126.09136	3.0
127.03885	1.1
127.07568	0.5
130.96297	0.6
131.01917	0.4
131.97427	7.6
136.03970	0.3
136.07562	1.2
136.08548	0.5
136.12068	0.4
137.02350	0.3
137.07053	0.5
137.09615	0.3
138.05496	0.8
139.03935	0.3
139.06274	5.0
140.06564	0.3
148.97369	1.0
149.97212	0.8
152.07072	0.6
154.05183	1.8
154.08620	100.0
154.99020	0.7
155.03345	0.7
155.07094	1.7
155.08977	4.3
155.10555	0.6
155.12914	0.4
171.98859	0.2
174.76601	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.1273
Annotation	Lyratol
Peak:m/z	Relative Intensity
53.00290	2.5
53.03935	4.3
55.01867	1.7
55.05510	15.9
56.96556	1.5
57.03414	1.4
57.07059	1.4
59.04997	8.3
65.03932	15.1
67.05498	9.9
68.05045	1.3
68.99808	1.1
69.03417	3.1
69.07063	15.1
70.06601	2.0
70.65757	3.6
70.94246	4.3
71.04989	34.5
71.94086	4.3
73.06553	19.2
73.07649	1.0
76.33356	0.9
79.05487	31.4
81.03424	1.3
81.07050	100.0
82.07391	2.5
83.04968	4.1
83.08592	2.0
85.06562	1.5
88.95311	1.3
91.05470	13.7
91.23443	0.9
93.03388	6.9
93.07037	41.3
94.07366	1.3
95.04970	6.0
95.06133	1.2
95.08593	11.2
97.02842	1.0
97.06520	12.2
104.81619	1.1
105.07020	4.0
107.04942	3.0
107.08585	41.6
109.06519	3.9
109.07633	1.4
109.10141	10.8
110.03680	5.8
110.04288	1.1
111.04436	22.6
111.08064	9.5
111.09258	1.6
111.96880	4.2
112.08720	2.9
112.96665	1.3
119.08571	2.0
121.06467	1.9
125.05994	11.9
129.97885	2.3
135.04356	1.4
135.08057	1.4
135.11679	23.2
136.07558	1.4
138.03026	1.3
148.97356	1.7
150.89027	1.1
153.05505	6.9
153.09076	4.3
153.11348	4.3
153.12744	12.8
154.08659	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	154.0348
Annotation	Unknow
Peak:m/z	Relative Intensity
52.39677	0.1
54.93827	0.1
55.01866	0.1
55.05503	0.4
56.05027	0.2
56.78513	0.1
56.96557	2.7
57.03424	0.2
58.99847	0.8
60.04525	0.1
61.50138	0.4
62.50015	0.2
64.37845	0.1
65.03946	0.2
68.00381	0.4
68.05022	0.3
68.96313	0.2
69.03419	0.4
69.04543	0.2
69.71340	0.7
69.96168	2.2
70.06579	0.3
70.50621	0.6
70.94256	0.3
71.94090	2.5
71.95252	1.3
72.04520	0.6
72.08163	0.2
72.93779	1.2
77.00901	0.9
79.05472	0.3
79.51160	3.6
80.01203	0.6
80.51023	0.3
81.03413	0.2
81.04528	0.2
81.07049	0.2
82.01404	0.7
82.06537	0.1
82.99837	0.1
83.04958	0.2
83.06122	0.3
85.02910	0.1
86.97359	0.1
87.97218	0.1
88.51686	29.8
89.01730	6.8
89.51529	2.6
89.95138	0.2
89.97157	0.3
90.94810	0.4
91.01933	0.9
91.05472	0.1
91.51968	0.3
92.47402	0.4
94.99834	0.2
95.01914	0.2
95.04949	0.3
95.06069	0.3
95.52464	0.1
96.08133	0.2
97.04004	0.1
97.52200	2.3
98.02280	0.5
98.06063	0.1
98.52096	0.2
98.97597	0.6
100.02470	8.9
100.52535	1.7
101.00860	0.8
101.02311	0.9
101.47852	0.8
101.97943	0.2
102.02257	0.2
103.02423	0.3
105.02171	0.2
105.07014	1.1
107.98151	1.1
108.48185	0.2
109.02924	0.4
109.07641	0.3
110.48363	1.5
110.98550	0.3
111.04431	0.4
111.09194	0.4
111.53249	0.3
112.08681	0.3
112.96694	0.3
112.98701	0.3
113.00839	2.5
113.07130	0.1
113.96400	0.5
113.98655	0.2
114.04016	0.5
115.02386	0.1
116.98668	3.7
117.48693	0.9
117.98586	0.4
118.03481	1.3
119.01051	0.1
119.01907	4.3
119.48931	6.4
119.98994	1.4
120.01986	0.3
120.03237	0.3
120.48773	0.9
121.01644	0.4
121.03413	0.3
121.99286	0.5
122.99155	0.2
124.54224	0.2
125.99210	13.2
126.49239	2.9
126.99085	1.4
127.03863	0.1
127.04974	0.1
128.49471	29.6
128.99518	6.9
129.49336	4.2
130.03438	0.2
130.52620	0.1
130.56027	0.2
130.96277	0.2
130.97729	0.5
130.99736	5.0
131.01889	24.5
131.03619	0.6
131.05531	0.3
131.49796	1.5
131.53139	0.2
131.96133	2.6
131.97408	0.6
131.99643	1.5
132.02049	0.8
132.05052	6.3
133.02344	0.2
133.03426	0.3
134.99718	0.5
136.02458	0.5
136.07608	0.3
136.08646	0.2
137.00797	0.2
137.02946	1.5
137.07028	0.3
137.10722	0.1
137.49994	100.0
138.00035	26.1
138.02901	0.2
138.49861	14.1
139.00256	0.2
139.02670	0.2
139.52365	0.2
140.00252	22.6
140.50299	6.9
140.53741	0.1
141.00133	3.5
141.05025	0.1
142.03514	1.1
142.50531	0.6
143.00629	0.2
143.03767	0.1
144.03270	0.3
144.50801	0.4
145.03439	0.5
146.50517	1.7
147.00549	0.2
147.04973	0.3
148.52727	0.1
148.97600	0.7
149.00797	50.0
149.02736	7.1
149.04636	0.8
149.06615	0.3
149.50847	14.7
149.97186	8.8
150.00676	9.0
150.02559	0.5
150.06096	5.1
150.50966	0.1
151.00647	0.2
151.04355	0.2
151.51056	3.6
152.01038	0.6
152.50977	0.4
154.03473	4.9
154.04738	0.2
154.08577	0.2
154.09685	0.3
154.97693	0.3
155.01865	0.9
155.03452	0.4
155.06749	0.6
156.01622	0.2
157.03467	0.1
158.01300	0.2
160.04539	0.7
160.51582	3.9
160.52911	0.2
161.01701	1.4
161.02936	0.3
161.04744	0.1
161.51547	0.5
163.04506	0.2
167.02203	0.4
167.52344	0.2
167.98221	1.2
168.01855	0.2
168.03574	0.2
172.02505	0.3
172.04480	1.0
172.98798	0.6
173.02907	1.2
173.04129	0.1
173.07701	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.1273
Annotation	Perillyl alcohol
Peak:m/z	Relative Intensity
50.97064	1.2
51.42127	1.2
52.33045	1.4
53.00294	1.3
53.03929	4.4
55.01860	4.9
55.05505	37.3
56.96555	2.9
57.03421	4.0
57.07061	4.7
58.06612	1.4
59.04993	17.4
65.03934	41.9
67.05499	29.9
68.05016	2.6
68.99786	1.9
69.03427	8.6
69.04573	1.4
69.07060	100.0
70.06580	3.5
70.07398	1.8
70.77644	1.7
70.77976	3.1
70.94250	14.3
70.95840	1.5
71.04985	18.7
71.94089	7.7
71.95260	1.9
72.08144	1.2
73.06542	6.3
75.04472	1.5
77.80704	1.4
79.05486	26.3
80.34482	1.4
81.03420	1.5
81.07048	62.8
82.07368	2.0
83.04973	14.5
83.08591	10.3
84.04538	1.5
85.06528	2.9
85.07647	2.4
88.04014	1.3
88.95287	2.8
89.18976	1.2
91.05473	15.3
93.03378	12.1
93.07030	62.0
95.04967	13.2
95.06075	2.8
95.08595	55.5
97.02881	2.8
97.06522	43.3
105.04537	1.8
105.07018	5.8
106.49986	1.4
107.04952	7.1
107.08582	70.0
108.04558	1.6
108.08933	1.6
109.02891	1.8
109.06512	6.4
109.07649	1.7
109.10142	56.9
110.03632	8.4
110.07158	4.4
110.10478	2.7
111.04433	63.3
111.08047	11.9
111.09181	1.9
111.11739	2.6
111.96868	7.1
112.08748	6.7
112.96671	1.9
117.06970	1.8
119.08584	3.1
121.06496	2.5
123.11725	3.1
125.05997	26.1
125.09635	3.4
126.05488	2.3
126.06369	2.0
129.97894	5.2
130.97736	1.8
135.04378	4.0
135.08066	5.7
135.11671	29.5
136.07567	4.2
136.08681	4.3
138.06732	2.8
139.55188	1.7
148.97346	2.5
153.01903	1.8
153.05461	18.6
153.06558	2.7
153.07829	2.2
153.09085	12.6
153.11357	12.4
153.12735	50.4
154.04996	4.0
154.09663	2.1
154.13145	1.8
160.86696	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.1272
Annotation	Junionone
Peak:m/z	Relative Intensity
50.60148	1.6
53.03933	4.0
55.01855	4.1
55.05510	33.7
57.03408	6.1
57.07058	6.3
59.04998	27.1
63.17361	1.5
65.03933	20.0
67.05183	1.8
67.05500	29.7
69.03428	10.0
69.07064	89.0
69.91143	9.9
70.06561	2.3
70.94228	4.8
71.04989	9.3
71.94054	2.5
72.08139	1.9
73.06529	3.9
79.05485	24.0
81.07047	53.5
83.04986	16.2
83.08620	10.8
83.93166	1.5
85.06514	5.0
91.05486	16.4
93.03410	10.1
93.03887	1.8
93.07036	76.1
95.04942	6.8
95.08598	76.1
96.08915	2.0
97.06522	55.5
98.06845	2.5
98.20872	2.7
105.07012	3.9
107.04922	2.7
107.08581	98.6
108.08884	3.3
109.06477	6.0
109.07726	1.8
109.10148	100.0
110.03613	3.2
110.07165	1.9
110.10484	2.4
111.04438	28.7
111.08057	13.0
111.09189	2.2
111.11686	5.1
112.08749	4.3
119.08612	1.9
123.11657	3.7
125.05970	11.6
125.09653	3.8
129.97823	1.7
130.96304	1.7
135.08028	2.6
135.11681	56.6
136.07591	3.0
136.08662	2.7
136.12050	1.6
138.22731	1.5
139.03734	1.6
153.01735	3.9
153.05490	8.2
153.09096	6.7
153.11337	12.5
153.12706	85.4
154.04939	2.0
154.13033	2.2
156.19493	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.1273
Annotation	Perilla alcohol
Peak:m/z	Relative Intensity
53.03937	5.5
55.01847	3.5
55.05506	28.0
56.96523	1.4
57.03431	7.7
57.07053	5.2
59.04995	18.1
65.03935	37.6
65.50851	1.0
67.02970	1.3
67.05500	36.2
68.05009	2.5
68.99780	1.4
69.03423	6.7
69.04524	1.9
69.07061	73.2
69.20940	2.7
69.21349	9.7
70.06566	4.7
70.07394	1.2
70.94238	10.8
71.04657	1.1
71.04987	13.1
71.06094	1.7
71.94098	7.0
71.95231	1.8
72.08125	3.0
73.06544	5.6
77.03891	1.2
78.40738	1.1
79.05486	30.6
80.05797	1.2
81.03397	1.8
81.07049	67.5
82.04155	2.0
83.04977	12.5
83.06076	3.4
83.08608	10.5
85.02847	1.3
85.06516	2.9
88.95282	2.7
91.05470	21.4
93.03391	12.9
93.07034	80.2
94.07346	1.7
94.64624	1.1
95.01319	2.0
95.04371	1.8
95.04960	36.7
95.06053	3.8
95.08596	74.3
96.08898	2.0
97.02877	1.7
97.05932	2.3
97.06523	35.8
98.20789	2.6
105.04498	1.9
105.07002	7.0
107.04960	5.5
107.08582	100.0
108.02094	1.4
108.08900	3.4
109.05822	1.4
109.06516	28.5
109.07620	2.6
109.10146	66.6
110.03647	9.8
110.07183	2.3
110.10460	1.7
111.04433	52.1
111.08069	15.3
111.11671	2.4
111.96863	3.6
112.04746	1.3
112.08743	7.3
112.96703	1.9
113.05844	1.9
114.29140	1.2
119.06039	1.3
119.08522	5.5
121.02833	1.3
123.04417	1.3
123.11682	3.5
125.05984	20.1
125.09586	2.6
126.05513	1.8
129.97855	4.7
135.04390	3.7
135.08076	2.3
135.11678	44.6
136.07585	1.8
136.08545	2.2
136.12019	1.8
138.06737	1.9
148.94937	1.4
148.97374	1.7
149.31700	1.3
153.01773	1.7
153.05464	11.3
153.07813	1.5
153.09117	7.3
153.11340	9.5
153.12698	58.6
154.04961	3.5
154.08586	2.2
154.13113	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	153.1273
Annotation	Lyratol
Peak:m/z	Relative Intensity
53.03939	3.6
55.01868	3.1
55.05509	15.7
55.55301	0.8
56.05051	0.8
57.03424	4.4
57.07053	3.1
58.06580	1.4
59.04995	6.5
63.10623	0.8
65.03937	21.2
67.01855	2.0
67.05502	18.1
68.05019	1.7
68.99776	2.4
69.03425	9.2
69.04511	1.5
69.07061	29.1
69.84398	5.0
70.06572	2.3
70.94253	5.2
71.04986	6.9
71.94090	3.4
72.08156	2.0
73.06533	2.2
75.04486	1.0
79.05489	21.5
80.05017	0.8
81.03416	1.4
81.04547	1.2
81.07052	31.5
81.07532	1.7
82.06517	1.0
83.01319	1.2
83.04974	14.9
83.06094	2.3
83.08617	6.9
84.08179	0.9
85.04012	1.1
85.06552	1.3
88.95256	1.0
91.05476	15.7
91.78589	0.8
93.03407	8.9
93.07038	75.2
94.07368	2.3
95.04960	25.4
95.06084	2.6
95.08599	60.3
96.08922	1.6
97.02893	2.3
97.06527	27.4
98.07134	0.8
105.07010	5.0
107.04950	3.5
107.08585	100.0
108.08942	2.4
109.06510	8.5
109.07617	1.9
109.09377	1.7
109.10146	34.2
110.03644	3.8
110.07170	1.6
110.10487	1.5
111.04437	35.0
111.08069	9.1
111.09204	1.8
111.11736	1.9
111.96854	2.8
112.08746	5.3
112.09447	1.1
112.96765	1.2
113.05840	1.1
119.06049	1.7
119.08575	1.2
120.90005	0.7
121.02858	35.2
121.06480	2.9
122.03112	1.1
123.11726	1.5
125.02354	1.0
125.05985	13.0
125.06928	1.4
125.08086	1.0
125.09616	3.1
126.10256	1.9
129.97905	2.7
130.97693	1.1
135.04424	2.1
135.08072	6.0
135.11684	43.1
136.07637	1.7
136.08675	2.5
136.12071	0.8
138.06650	1.2
148.97363	1.4
153.01830	31.1
153.05450	11.1
153.06563	1.2
153.09125	7.6
153.11366	9.5
153.12744	37.1
154.02138	1.7
154.05006	2.8
154.08563	1.1
154.09720	1.0
154.13138	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.1273
Annotation	Lyratol
Peak:m/z	Relative Intensity
53.00313	1.0
53.03928	2.6
55.01858	2.6
55.05508	20.5
57.03422	4.1
57.07082	4.1
58.06559	0.7
59.04994	14.3
65.03934	13.4
67.05500	25.8
68.05018	1.4
69.03427	4.8
69.04548	1.2
69.07065	55.6
70.06568	1.6
70.29874	2.3
70.94241	2.4
71.04984	5.4
71.94102	1.2
72.56331	0.7
73.06554	1.7
79.05019	0.9
79.05486	19.2
81.07053	34.8
82.07393	0.9
83.04973	13.0
83.06083	1.3
83.08612	6.7
84.08136	1.2
85.06524	3.7
85.70842	0.8
91.05478	12.6
93.03386	6.3
93.07037	73.6
94.06561	0.8
94.07354	1.7
95.04963	5.1
95.06080	1.4
95.08601	65.1
96.08904	1.8
97.02863	1.2
97.06522	34.1
105.07034	4.7
107.04933	2.2
107.08587	100.0
108.08924	3.2
109.06493	3.7
109.07646	1.3
109.10149	60.8
110.03611	2.5
110.07166	1.2
110.10481	1.6
111.04433	23.7
111.08073	6.6
111.11703	4.2
111.96833	1.3
112.08682	3.1
113.05894	1.1
117.06882	0.9
119.08559	2.5
121.02850	6.5
123.11707	2.9
125.05974	9.5
125.09592	4.2
126.10157	1.0
135.04388	1.1
135.08040	2.0
135.11681	45.3
136.07471	0.9
136.08644	1.2
136.12033	1.7
148.97253	1.0
153.01816	1.0
153.05467	5.3
153.07866	0.8
153.09129	4.0
153.11363	5.2
153.12723	58.6
154.05000	1.3
154.08621	2.5
154.09711	1.3
154.13040	2.5
157.59038	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.1273
Annotation	Lyratol
Peak:m/z	Relative Intensity
53.00309	1.7
53.03939	3.0
54.08775	1.0
55.05505	13.5
57.03438	1.6
57.07071	3.7
59.05000	8.9
65.03935	4.1
66.25912	1.0
67.05499	7.9
69.03451	0.9
69.07063	11.5
69.25844	11.7
70.63290	1.1
71.04987	31.0
72.08110	1.0
73.06174	2.0
73.06550	21.6
79.05487	28.7
81.07049	100.0
82.07376	1.3
83.04966	2.8
83.08597	2.5
91.05470	10.1
92.21500	1.0
93.03391	4.0
93.07038	37.8
95.04960	5.1
95.08619	7.4
97.06519	11.2
98.21521	2.3
105.07001	2.8
107.04952	1.1
107.08582	36.4
109.06519	1.7
109.10136	8.6
110.03654	1.2
111.04436	7.9
111.08076	5.4
112.08712	1.5
119.08598	1.6
125.05985	3.6
135.11685	23.8
136.07573	1.2
145.94395	1.0
153.05460	2.2
153.11458	2.2
153.12743	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	153.1273
Annotation	Lyratol
Peak:m/z	Relative Intensity
53.00289	2.6
53.03938	3.7
53.24864	0.9
54.94209	1.0
55.05506	19.4
57.07062	2.0
57.83488	1.0
59.04998	8.1
59.06100	1.2
65.03609	1.4
65.03934	17.2
66.04279	1.0
67.05498	6.8
67.77915	1.0
69.03416	1.9
69.07059	12.3
70.06577	2.3
70.94250	2.2
71.04985	35.7
71.13160	2.1
71.13540	2.0
73.06174	1.8
73.06548	20.6
73.46307	0.9
74.19306	1.0
79.05485	30.1
81.07048	100.0
82.07379	2.0
83.04970	4.4
83.08611	2.1
84.40546	1.0
85.06534	2.0
91.05475	11.1
93.03397	9.3
93.07035	42.2
95.04948	7.3
95.06068	1.4
95.08583	8.5
96.09069	0.9
97.06509	11.2
105.07027	2.7
107.04922	2.4
107.08582	36.9
107.09310	2.0
109.06522	2.8
109.07627	2.4
109.10152	8.0
110.03652	1.0
111.04434	16.4
111.08083	6.3
111.09158	1.3
112.08772	1.9
113.05870	1.7
119.08556	2.0
121.02856	97.4
122.03194	4.5
125.05962	6.8
125.09629	1.2
128.50032	1.0
130.33020	1.1
131.05667	1.0
132.04362	1.1
135.04402	1.1
135.11668	22.3
135.97023	0.8
136.07571	5.4
136.08617	2.1
138.03098	1.4
148.34883	1.1
153.01825	1.6
153.05498	8.2
153.07637	1.0
153.09114	2.2
153.11356	6.5
153.12747	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	153.1273
Annotation	Lyratol
Peak:m/z	Relative Intensity
52.16594	1.0
53.00307	2.7
53.03931	3.7
55.01873	1.8
55.05505	15.8
56.96537	1.5
57.03429	1.5
57.04539	1.0
57.07063	4.8
59.04994	8.6
63.73541	0.9
65.03934	17.6
67.02984	1.6
67.05494	9.6
68.05009	2.8
68.96329	1.5
68.99771	1.0
69.03416	3.4
69.04541	1.5
69.07066	15.7
70.06589	3.3
70.64849	2.8
70.94237	5.6
70.95854	0.9
71.04987	31.0
71.06094	1.2
71.94090	2.1
72.08142	3.1
73.06550	21.0
79.05487	28.5
80.05824	1.2
81.04522	1.4
81.07050	100.0
82.06557	1.4
82.07361	2.3
83.04984	5.7
83.06089	1.3
83.08607	2.7
85.06509	1.1
91.05469	11.6
93.03395	7.7
93.07034	44.7
94.07368	1.5
95.04984	5.0
95.05496	1.1
95.06081	2.4
95.08582	9.0
97.06517	14.0
97.07639	1.1
98.06020	1.1
105.04507	1.4
105.07007	3.9
107.04942	5.6
107.08582	43.3
107.09312	2.1
108.08134	1.6
108.08867	1.6
109.06499	4.4
109.07627	2.3
109.10153	7.9
110.03641	3.3
110.07191	1.6
111.04434	30.5
111.05274	1.5
111.05531	1.3
111.08058	8.9
111.09188	2.2
111.96851	1.9
112.07597	1.1
112.08704	3.4
113.05859	3.3
115.03885	1.1
117.07028	1.9
118.06435	1.2
119.08575	2.6
121.02872	16.0
125.05986	11.5
125.09584	2.2
126.10229	1.5
129.97896	1.3
130.96318	1.3
135.04443	1.9
135.08049	4.8
135.11679	22.8
136.07573	2.3
136.08629	2.1
138.03120	2.1
139.03845	1.0
148.97343	3.2
153.05467	8.6
153.07573	2.1
153.09079	4.8
153.11353	7.4
153.12732	14.2
154.04965	2.4
154.08638	3.5
154.09775	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.1272
Annotation	Lyratol
Peak:m/z	Relative Intensity
53.00291	1.9
53.03930	2.1
55.05510	12.9
57.03436	1.2
57.07056	2.6
59.04979	4.7
65.03918	2.0
66.54794	1.2
67.05495	4.6
69.07058	8.3
69.78075	4.1
69.78503	4.1
71.04989	29.3
73.06128	1.2
73.06554	23.9
76.35297	1.2
79.05074	1.7
79.05489	24.1
81.07050	100.0
82.07361	1.9
83.08576	1.2
85.06513	1.3
91.05486	9.1
93.03391	1.5
93.07036	38.2
95.04951	2.6
95.08592	6.1
97.06534	7.6
103.87391	1.1
105.07017	3.1
107.07870	2.0
107.08583	28.7
109.06454	1.2
109.10130	4.9
111.04433	2.4
111.08054	4.0
119.08519	1.5
125.05938	1.7
129.80988	1.2
135.11665	18.9
139.19078	1.2
153.11589	2.0
153.12683	9.1
154.08607	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.1272
Annotation	(+)-PERILLYL ALCOHOL
Peak:m/z	Relative Intensity
53.03936	2.4
55.01842	1.6
55.05504	12.0
55.70469	0.9
56.84531	0.8
57.03426	6.4
57.07050	3.0
59.04971	1.2
65.03933	11.2
67.05133	1.1
67.05500	34.0
69.03410	2.9
69.07062	56.9
70.07381	1.1
70.94250	5.0
70.95844	1.0
71.04976	2.8
71.13754	1.1
71.14073	1.3
71.94096	8.8
71.95242	3.6
73.06529	1.1
79.05483	30.7
81.03384	1.1
81.07050	40.1
83.04982	6.5
83.08608	7.3
85.02876	1.8
85.06523	2.8
88.95269	1.7
89.95111	1.1
91.05471	5.6
93.03401	5.3
93.07034	48.5
94.03756	1.1
94.07333	1.0
95.04953	2.7
95.08599	17.9
97.02882	1.4
97.06521	22.5
105.07011	2.9
107.04939	2.8
107.08582	52.2
108.04487	1.4
108.08915	1.3
109.02828	1.1
109.06490	1.6
109.10149	39.1
110.03616	4.6
110.10544	1.3
111.04476	17.9
111.08075	7.6
111.11726	1.4
111.96829	2.8
112.04767	1.4
112.96698	3.5
122.02377	1.2
125.05975	10.0
125.09584	1.3
126.06287	3.3
129.97923	1.7
130.97765	2.2
132.94327	1.1
133.10074	0.9
135.04414	1.8
135.11679	100.0
136.03944	2.5
136.07512	0.9
136.12000	2.7
138.03090	2.2
138.05060	2.9
153.04272	1.1
153.05482	11.8
153.07460	8.5
153.09076	3.2
153.12727	78.8
154.04947	5.5
154.08527	1.3
154.13060	3.7
154.15894	1.8
165.41766	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.1272
Annotation	Lyratol
Peak:m/z	Relative Intensity
53.00306	1.3
53.03934	3.5
55.05511	16.2
57.07046	2.1
59.04997	9.1
65.03926	2.4
67.05496	7.2
68.02367	1.3
69.07066	11.1
69.26891	9.4
71.04986	37.7
73.06547	24.2
76.73216	1.0
79.05483	28.0
81.07049	100.0
82.07368	1.1
83.08624	1.9
85.06501	1.5
91.05478	11.2
92.18211	1.2
93.07037	42.7
95.04955	4.1
95.08596	7.1
97.06546	9.8
98.21491	1.7
105.07010	4.1
107.08583	35.6
107.09312	2.2
108.08914	1.1
109.06548	1.7
109.10156	7.6
111.04440	3.4
111.08061	4.7
119.08549	2.0
124.54644	1.2
125.05978	1.4
129.17561	1.2
135.11673	25.8
153.12724	11.9
153.83018	1.1
167.59041	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.0909
Annotation	3-Isopropylcatechol
Peak:m/z	Relative Intensity
51.06934	0.9
53.03938	3.7
53.57163	0.8
55.01870	5.4
55.05505	27.6
56.05030	1.2
56.96556	1.4
57.03431	6.3
57.07062	2.2
59.04999	5.5
60.24916	0.7
64.83727	0.9
65.03933	38.6
67.05497	86.0
68.05007	2.4
68.05830	1.1
68.96332	1.2
68.99785	1.4
69.03077	1.3
69.03424	14.8
69.04548	2.0
69.07059	18.6
70.06593	4.3
70.94249	7.2
70.95860	1.1
71.04990	10.0
71.06967	0.7
71.94083	3.4
71.95207	1.0
72.06923	0.8
72.08139	2.5
73.02912	2.1
73.06540	3.7
77.03931	1.2
78.17900	0.8
79.05484	76.7
80.05019	1.2
80.05814	2.4
80.06288	0.8
81.03413	2.1
81.04521	1.3
81.07049	65.1
82.06565	1.4
82.07364	1.7
83.04974	15.8
83.06079	1.2
83.08602	3.8
84.08142	1.2
85.02897	1.4
85.07652	0.9
87.04475	1.0
88.95281	1.8
91.05473	31.6
92.60111	0.9
93.03392	11.9
93.07032	49.6
94.06509	1.3
94.07333	1.4
94.27503	0.9
95.04959	11.9
95.06068	2.5
95.08595	22.0
97.02859	1.9
97.06514	17.3
97.10154	7.1
98.06072	0.9
98.09563	0.8
100.22955	0.8
105.04516	1.8
105.07018	14.7
106.04099	1.4
107.04955	8.4
107.08582	100.0
108.08900	2.9
109.05801	1.4
109.06508	18.4
109.07639	3.1
109.10146	57.3
110.03655	5.3
110.07172	2.7
110.10478	1.6
111.04432	60.8
111.07378	1.2
111.08070	14.7
111.09196	2.4
111.96852	2.6
112.03929	0.8
112.04732	1.8
112.08735	5.5
112.96719	1.8
113.05844	2.3
115.05462	0.9
117.07014	5.8
119.06037	3.6
121.02849	11.8
121.06484	1.5
123.08041	1.2
125.05976	21.8
125.09615	17.9
126.05509	1.2
126.10154	1.2
129.97914	4.7
130.97746	0.8
135.04420	2.9
135.08041	24.5
135.10698	1.6
135.11667	16.1
136.03894	1.2
136.07547	3.1
136.08591	2.7
136.12024	0.8
138.06744	1.5
148.97353	3.0
153.01897	1.2
153.05487	14.6
153.06607	1.7
153.09090	20.2
153.10193	1.8
153.11340	9.1
153.12717	17.7
154.04958	3.2
154.08559	1.6
154.09668	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	153.1272
Annotation	Lyratol
Peak:m/z	Relative Intensity
53.00307	0.9
53.03940	2.4
53.99818	0.9
55.01860	3.5
55.05505	15.0
57.03435	2.4
57.04535	0.8
57.07073	1.8
59.04995	7.6
61.98879	0.8
65.03611	1.8
65.03934	26.3
67.05501	8.5
68.05017	1.4
69.03420	4.2
69.07064	14.5
69.30806	9.4
70.06573	2.1
70.94239	4.2
70.95847	1.6
71.01340	4.5
71.04986	26.9
71.94080	2.6
71.95263	1.2
72.05314	1.1
73.06547	19.4
74.63689	0.9
79.05487	26.4
81.03405	1.7
81.07048	84.6
82.07351	1.3
83.04984	4.7
83.06073	1.3
83.08599	2.3
85.06506	1.4
91.05463	11.1
93.03407	9.1
93.07036	37.1
94.07324	1.3
95.04964	7.6
95.06039	2.2
95.08588	10.8
96.87064	0.9
97.02892	1.2
97.06523	14.4
98.51691	0.8
105.07005	2.7
107.04938	3.3
107.08581	37.8
108.08907	0.8
109.06503	5.9
109.07639	2.3
109.10152	7.6
109.99009	0.8
110.03647	3.3
110.07195	2.5
111.04432	32.3
111.08062	8.6
111.09191	1.3
111.83979	1.0
111.96855	2.3
112.04761	1.9
112.08715	3.9
112.96658	1.0
113.05843	1.2
115.05467	1.3
117.07009	2.2
119.08553	1.8
121.02853	100.0
122.03191	4.8
125.05989	13.2
125.09648	1.8
126.10326	1.1
129.97902	1.7
130.96300	1.2
135.04457	1.2
135.08037	3.0
135.11671	19.8
136.05054	1.2
136.07584	3.1
136.08629	1.8
148.97354	2.6
153.01807	4.3
153.04292	1.6
153.05446	11.9
153.09180	4.7
153.10199	2.0
153.11342	9.7
153.12729	13.3
154.04909	2.1
154.08577	1.8
154.09755	1.5
154.13023	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.0545
Annotation	Methyl 4-hydroxybenzoate
Peak:m/z	Relative Intensity
53.00294	0.3
53.03943	0.5
53.64929	0.2
54.03469	0.2
55.01858	0.5
55.05508	2.2
56.05021	0.2
57.03416	0.3
57.07062	0.3
57.46776	0.2
59.04997	1.1
62.55677	0.2
65.03935	7.4
67.01869	0.2
67.02969	0.3
67.05495	1.1
68.05018	0.3
68.99776	0.3
69.03411	0.5
69.04541	0.3
69.07066	1.2
69.75298	1.2
70.06580	0.4
70.94245	0.6
71.04350	0.2
71.04984	3.2
72.06984	0.2
72.08162	0.3
73.06551	2.1
79.05488	3.4
80.02583	0.2
81.03375	0.2
81.04517	0.2
81.07050	9.4
82.06573	0.3
83.04964	0.8
83.06093	0.3
83.08591	0.3
88.95312	0.2
91.05467	1.3
93.03397	4.2
93.03973	0.3
93.07035	4.2
95.04959	1.6
95.06038	0.4
95.08601	1.1
97.02874	0.3
97.06516	2.2
97.07660	0.3
98.03687	0.3
98.07193	0.3
105.07005	0.4
107.04949	0.9
107.08589	4.8
108.05624	0.3
108.36962	0.2
109.02917	0.2
109.06491	0.7
109.07625	0.2
109.10141	1.0
110.03638	0.7
111.04433	6.9
111.08037	0.8
111.09209	0.2
111.96887	0.4
112.08714	0.8
113.05836	0.6
119.08601	0.2
121.02854	100.0
122.03181	2.8
125.05990	2.3
125.09595	0.3
129.97850	0.2
130.96251	0.2
135.04434	0.4
135.08035	0.3
135.11670	2.3
136.07555	0.4
136.08598	0.4
148.97325	0.4
153.01816	1.9
153.05455	5.1
153.07512	0.2
153.09081	0.6
153.10274	0.2
153.11343	1.1
153.12735	1.7
154.08577	0.4
154.09746	0.3
171.49057	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	152.0193
Annotation	Unknow
Peak:m/z	Relative Intensity
53.58677	0.5
56.96556	4.8
57.03431	0.5
58.99836	1.0
60.04509	0.5
65.03931	0.4
68.87445	0.4
69.03415	0.7
69.82848	2.4
70.78614	0.4
73.02915	0.4
73.75788	0.4
77.00879	1.1
79.05470	0.5
81.03401	0.4
82.01422	1.7
85.01396	7.5
86.01482	0.4
86.02149	0.4
86.99324	0.6
88.51669	1.2
89.51553	1.0
91.16936	0.4
98.97572	1.3
100.02469	11.7
100.30579	0.4
101.00857	1.2
101.02551	1.5
101.52431	1.2
102.02246	1.6
102.51418	1.3
103.02431	44.4
103.51287	0.4
104.02476	2.1
105.00334	0.8
110.01357	0.5
110.97556	1.3
110.99294	1.6
111.04434	1.0
112.01097	0.7
114.02195	1.4
114.51430	0.6
114.52216	0.7
115.02158	0.6
116.51128	0.6
116.98620	1.5
117.03911	0.5
118.03499	7.1
119.01910	5.3
119.03629	1.0
120.01998	0.9
120.03259	1.0
120.51823	0.9
121.01682	2.2
121.03466	40.2
122.03546	2.7
123.02947	0.5
123.03963	0.8
123.51914	0.5
125.51692	0.9
126.01793	0.6
126.04012	1.2
126.52208	0.4
128.01949	1.5
128.49342	0.5
128.98618	2.4
128.99370	0.5
129.00314	10.5
129.03955	1.8
129.07632	0.5
130.00458	0.8
131.01872	1.0
133.03331	0.5
134.99657	1.5
135.01434	0.6
135.05025	0.5
137.02278	1.0
137.03026	1.1
137.49977	1.4
139.00764	0.8
142.03470	1.6
144.05077	1.2
146.02962	0.4
146.99738	4.1
147.01367	100.0
147.04956	2.8
148.01445	6.6
149.00804	0.7
149.01843	0.8
149.50864	0.6
150.00655	0.9
152.01904	5.6
152.07004	1.0
152.09120	0.6
153.02156	0.5
156.01389	1.7
157.03485	0.5
161.02928	0.5
165.00771	1.5
165.02422	16.2
166.02524	1.2
170.02968	51.2
171.03111	4.0
174.02473	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	152.0193
Annotation	Unknow
Peak:m/z	Relative Intensity
53.58677	0.5
56.96556	4.8
57.03431	0.5
58.99836	1.0
60.04509	0.5
65.03931	0.4
68.87445	0.4
69.03415	0.7
69.82848	2.4
70.78614	0.4
73.02915	0.4
73.75788	0.4
77.00879	1.1
79.05470	0.5
81.03401	0.4
82.01422	1.7
85.01396	7.5
86.01482	0.4
86.02149	0.4
86.99324	0.6
88.51669	1.2
89.51553	1.0
91.16936	0.4
98.97572	1.3
100.02469	11.7
100.30579	0.4
101.00857	1.2
101.02551	1.5
101.52431	1.2
102.02246	1.6
102.51418	1.3
103.02431	44.4
103.51287	0.4
104.02476	2.1
105.00334	0.8
110.01357	0.5
110.97556	1.3
110.99294	1.6
111.04434	1.0
112.01097	0.7
114.02195	1.4
114.51430	0.6
114.52216	0.7
115.02158	0.6
116.51128	0.6
116.98620	1.5
117.03911	0.5
118.03499	7.1
119.01910	5.3
119.03629	1.0
120.01998	0.9
120.03259	1.0
120.51823	0.9
121.01682	2.2
121.03466	40.2
122.03546	2.7
123.02947	0.5
123.03963	0.8
123.51914	0.5
125.51692	0.9
126.01793	0.6
126.04012	1.2
126.52208	0.4
128.01949	1.5
128.49342	0.5
128.98618	2.4
128.99370	0.5
129.00314	10.5
129.03955	1.8
129.07632	0.5
130.00458	0.8
131.01872	1.0
133.03331	0.5
134.99657	1.5
135.01434	0.6
135.05025	0.5
137.02278	1.0
137.03026	1.1
137.49977	1.4
139.00764	0.8
142.03470	1.6
144.05077	1.2
146.02962	0.4
146.99738	4.1
147.01367	100.0
147.04956	2.8
148.01445	6.6
149.00804	0.7
149.01843	0.8
149.50864	0.6
150.00655	0.9
152.01904	5.6
152.07004	1.0
152.09120	0.6
153.02156	0.5
156.01389	1.7
157.03485	0.5
161.02928	0.5
165.00771	1.5
165.02422	16.2
166.02524	1.2
170.02968	51.2
171.03111	4.0
174.02473	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	152.0566
Annotation	guanine
Peak:m/z	Relative Intensity
50.72242	0.2
53.03937	0.3
55.01858	0.2
55.02978	0.5
55.05499	0.3
56.05034	0.2
56.96560	7.4
57.03432	1.3
58.99847	0.4
61.02908	0.4
65.03913	0.6
67.05487	0.2
68.05015	0.4
69.03421	0.8
69.03732	0.2
69.04572	0.2
70.06578	0.3
70.70546	0.5
70.99837	0.2
71.01298	0.2
71.95242	0.5
73.02897	0.7
77.00884	0.4
79.05469	0.7
80.02492	0.2
80.05011	0.2
81.03387	0.6
81.07047	0.2
82.01438	0.3
82.02657	0.2
82.04046	0.4
82.06560	0.3
83.04964	0.3
83.06117	0.3
84.96010	0.4
85.01376	0.9
85.02889	0.8
91.02439	0.4
91.05463	0.3
93.03400	0.5
94.06558	0.3
95.06061	0.2
96.08111	0.5
96.51753	0.2
97.02855	1.1
97.07614	0.3
98.01279	0.2
98.03162	0.2
98.97595	1.5
100.02469	1.4
101.00891	0.4
101.02518	0.3
102.02358	0.3
103.02440	4.2
103.03121	0.2
104.02528	0.3
105.00350	0.2
105.06971	0.2
106.06522	0.5
107.03561	0.7
107.04942	3.3
108.04485	0.2
109.02853	0.4
109.03530	0.2
109.05113	1.9
109.07642	0.5
109.40534	0.2
110.01270	0.4
110.03518	11.4
110.97562	2.4
111.04471	1.2
111.09190	0.3
114.04173	0.4
115.02401	1.0
116.97920	0.2
116.98600	0.9
117.02155	0.4
117.03966	0.4
118.00993	0.2
118.03466	1.1
119.01898	2.1
121.03477	3.2
124.03905	0.2
124.07555	0.3
125.05984	0.4
125.07117	0.2
128.02365	0.2
128.04553	5.4
128.98602	5.8
129.00232	1.1
129.03964	1.1
129.98932	0.2
131.01889	0.6
132.05008	0.2
133.01602	0.2
133.03444	1.3
134.03596	0.4
134.04607	1.1
134.05991	0.8
134.99629	0.7
135.03011	15.3
135.04329	0.7
135.09163	0.3
136.01414	0.4
136.03473	0.2
137.02888	0.6
140.04994	0.3
143.01939	0.3
144.05045	0.2
145.03470	0.3
146.99634	5.5
147.01373	9.1
147.03181	0.7
147.05013	2.4
148.01492	0.4
149.03712	0.2
152.05661	100.0
152.11844	0.6
153.04063	35.7
153.05930	1.9
154.02454	0.7
154.04443	0.7
159.04990	0.3
161.01195	0.3
161.02911	0.5
161.06606	0.5
165.00818	1.0
165.02341	1.1
170.01453	0.3
170.02959	3.8
170.06711	0.3
170.99637	0.2
171.03194	0.4
171.05016	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	151.0753
Annotation	Methyl phenylacetate
Peak:m/z	Relative Intensity
51.02389	0.3
52.50274	0.2
53.03941	0.9
54.03475	0.3
55.01867	0.9
55.05492	0.3
55.50885	0.2
56.05032	0.3
56.96558	10.2
57.03424	1.3
60.95827	0.3
61.02910	0.8
65.03934	5.0
67.05492	1.7
68.05016	1.0
68.05846	0.2
68.99759	0.3
69.03411	1.6
71.01371	0.4
71.17081	0.5
71.17433	0.4
71.95261	0.4
73.02197	0.2
73.02908	1.9
74.97613	0.7
75.05610	0.6
77.00790	0.4
79.05481	2.3
79.43501	0.3
80.05025	0.4
80.06273	1.2
81.03402	0.8
81.07061	1.3
82.06568	0.6
83.00764	0.5
83.06081	0.8
84.08136	0.4
84.96071	0.4
85.02895	1.3
88.60213	0.2
89.00789	0.5
90.01556	0.6
91.05470	100.0
92.05796	2.3
93.07052	1.2
94.06563	0.7
95.00769	0.5
95.01328	0.5
95.04961	9.9
95.05977	0.4
95.06886	0.3
95.08603	1.1
96.01523	1.3
96.08138	0.7
97.00543	0.3
97.02892	0.9
97.07635	0.3
97.96761	0.4
97.99182	0.6
98.01290	1.2
98.97573	5.6
99.02057	0.4
100.02419	0.3
101.00746	0.8
103.02425	0.3
103.05490	0.5
104.01289	0.8
105.04510	0.5
105.07031	2.2
106.06582	0.4
107.01784	0.5
107.04938	1.3
107.06101	0.6
107.06839	0.3
107.08579	0.5
108.05721	2.1
109.02867	0.6
109.06505	1.2
109.07642	0.4
109.10167	0.6
110.01258	2.9
110.06034	0.8
110.07194	0.5
110.97565	1.8
111.04450	0.6
111.07926	0.6
111.09225	0.3
111.53638	0.9
112.07610	1.3
116.98615	2.9
119.01800	3.5
119.04927	51.1
120.05225	1.4
121.05109	0.3
121.52077	0.3
123.04437	1.4
123.06378	0.5
123.08039	2.5
123.08916	0.2
123.09188	0.2
123.11725	0.5
124.07574	0.6
124.08614	0.4
128.02318	2.8
128.52495	0.3
128.98595	3.4
130.08640	0.8
133.02817	0.3
133.06468	0.7
133.07516	0.5
133.10146	0.4
134.05978	0.5
134.99677	1.1
135.04402	0.5
136.04100	0.6
136.05180	10.7
137.02827	0.9
137.05974	5.2
140.00159	0.4
143.00145	0.4
146.99629	3.5
147.01346	0.7
150.96832	0.3
151.03978	2.0
151.07527	44.4
151.08556	2.5
151.11153	0.9
152.05664	2.0
152.06877	1.7
152.07904	1.3
158.01224	0.3
158.99667	0.5
161.01175	0.4
165.00734	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	151.1116
Annotation	4-Isopropyl-2-methylphenol
Peak:m/z	Relative Intensity
53.03931	1.6
55.01860	1.8
55.05499	2.8
56.05019	0.4
56.96540	1.6
57.03419	1.1
57.07060	1.0
59.04985	1.4
59.57998	0.4
65.03938	2.4
65.66165	0.4
67.05502	11.6
68.05023	2.3
69.03425	3.2
69.04546	0.9
69.07047	3.1
69.17899	5.6
70.06568	0.5
71.04993	0.5
73.05695	0.4
79.05488	8.3
79.52325	0.4
80.06237	0.4
81.03410	2.1
81.07050	23.1
82.06577	0.5
82.07376	0.7
83.04982	1.1
83.06081	2.0
84.05550	0.5
85.02842	0.6
90.01528	0.5
91.05475	12.8
92.01266	0.5
93.04494	0.5
93.07037	9.8
95.04963	7.2
95.08597	9.1
96.05643	0.6
96.08093	0.7
97.06525	1.1
97.07654	0.7
98.21575	0.9
98.97585	1.1
103.05450	0.8
105.07023	18.3
106.07297	0.6
107.04935	1.2
107.08586	7.8
108.02090	0.6
108.04505	0.6
108.05700	1.2
109.06509	18.5
109.07631	1.0
109.10153	10.8
110.01247	1.2
110.06033	0.7
110.07179	4.6
110.79449	0.4
111.04420	0.8
111.05550	0.7
111.07936	9.3
116.98599	0.9
117.32416	0.5
118.30437	0.4
119.01781	1.2
119.04946	1.9
119.06054	0.6
121.02821	0.5
121.06494	1.1
121.10148	2.6
123.04398	1.8
123.08064	8.8
123.11688	6.3
124.03998	0.5
124.07568	1.5
124.08646	1.9
128.02304	1.5
131.08498	0.6
133.02866	0.5
133.06474	1.6
133.07474	0.6
133.10100	6.3
134.06009	1.0
134.07120	1.2
135.09149	0.5
136.08861	2.8
151.02852	0.9
151.03896	3.8
151.04996	1.1
151.07600	8.5
151.09828	5.6
151.11162	100.0
152.01607	1.1
152.07024	2.6
152.08043	0.8
152.11566	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	151.0388
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.1
55.01860	4.0
55.05510	1.5
56.05035	5.2
56.96560	83.8
57.01905	1.0
57.03431	16.0
57.05365	3.7
60.04507	1.3
61.01146	3.1
61.02924	9.8
64.99695	1.4
65.03928	2.5
66.85522	1.0
67.05496	4.5
68.00262	2.5
68.02644	1.6
68.98280	2.7
69.03427	10.1
71.04990	1.9
71.95251	2.7
73.02911	23.0
74.00254	1.5
74.03227	1.0
74.97594	4.1
77.00804	4.3
79.05480	3.2
81.01022	2.1
81.03414	8.4
81.07037	3.4
82.01409	2.6
83.00785	11.7
83.01263	1.9
84.96021	3.5
85.01404	13.0
85.02891	17.5
86.99329	4.3
87.01053	2.0
89.00775	10.4
90.01547	13.2
91.00526	3.2
91.05468	17.9
92.00227	1.5
92.01278	5.2
93.07029	2.1
95.00762	4.1
95.01308	1.2
95.04945	5.3
95.08601	2.4
96.01545	10.7
97.00510	2.4
97.02893	14.1
97.99173	5.8
98.01290	13.9
98.03203	1.3
98.97573	45.5
99.02077	2.5
99.04436	3.1
100.02471	7.3
100.51526	1.9
101.00745	10.2
101.02483	1.7
102.02396	1.6
103.02435	47.2
103.52073	1.3
104.01273	10.9
105.00365	6.3
105.02068	4.0
105.05653	3.2
105.07017	3.7
106.04177	1.1
106.04900	1.6
107.01814	7.9
107.04953	3.0
107.08606	1.8
109.02871	4.4
109.06492	2.8
109.10167	1.5
109.52095	2.0
110.01268	31.9
110.97554	14.8
111.04437	1.7
113.01753	2.1
115.02409	2.6
116.00194	3.1
116.02519	2.2
116.98604	25.8
117.02159	2.7
118.03528	5.3
119.01801	52.4
119.04939	8.3
119.51985	3.6
121.03472	31.4
121.04337	1.3
121.52079	2.0
123.01275	1.3
123.04436	2.6
123.08054	3.2
124.07574	1.2
127.03905	5.1
128.02313	38.9
128.52469	1.9
128.98605	27.2
129.00296	12.5
129.03975	4.2
130.52559	4.0
131.01886	3.3
133.03459	2.1
133.10118	1.4
134.03531	4.9
134.99646	13.0
135.03145	1.7
136.05229	1.7
137.02850	14.5
137.06030	1.4
137.52977	1.4
139.53104	5.0
140.00175	2.2
143.00150	1.3
143.01923	1.7
144.98056	2.7
145.03459	2.4
145.05009	1.2
146.03659	7.4
146.99638	31.5
147.01379	100.0
147.03241	2.8
147.05023	4.4
151.02797	1.7
151.03899	5.5
151.04979	1.7
151.07516	14.3
151.11169	3.5
152.01891	3.7
152.05663	3.4
152.07037	2.7
157.03467	1.9
158.01266	4.6
158.99643	3.4
159.04939	1.1
161.01234	1.4
161.02980	1.7
162.99115	2.5
164.04630	3.6
165.00735	5.6
165.02451	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	149.1323
Annotation	Hormodirene
Peak:m/z	Relative Intensity
53.03930	4.4
55.01864	2.6
55.05507	9.2
61.53032	1.0
65.03934	48.8
67.05497	17.1
69.07061	10.2
69.92796	2.5
69.93191	3.1
79.05489	36.6
79.05965	1.3
81.03414	1.4
81.07049	48.9
81.94062	1.0
82.07412	1.2
83.08607	3.3
86.17915	1.0
91.05473	19.8
93.03399	14.2
93.07035	50.5
95.04955	4.1
95.08602	9.3
98.03674	3.4
103.05509	1.7
105.04521	1.6
105.07034	6.7
107.04945	29.1
107.08583	36.4
108.04453	1.7
108.05245	1.6
108.08907	1.4
111.04434	11.4
119.08593	1.9
120.05711	6.0
121.02854	63.3
121.03954	12.3
121.06501	4.1
121.10144	9.5
122.03193	2.5
131.08536	1.3
149.02330	100.0
149.09612	12.9
149.13245	20.5
150.02646	7.5
150.05453	1.3
156.08803	1.1
167.03441	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	150.0582
Annotation	L-Methionine
Peak:m/z	Relative Intensity
51.79564	0.4
53.03938	0.6
54.01683	0.5
55.01854	1.7
56.05032	100.0
56.96300	0.9
56.96560	12.4
57.03430	2.9
57.05358	1.3
58.99572	0.8
58.99849	1.1
60.95853	0.6
61.01145	66.1
61.02925	1.1
62.06072	0.8
65.03915	0.8
66.04259	1.6
67.05482	1.2
68.98273	1.5
68.99783	1.0
69.03409	2.2
69.03726	0.5
69.10371	0.6
69.95964	0.5
69.96282	2.8
71.01360	0.5
71.04934	0.6
72.93781	0.5
73.02904	2.1
73.54004	0.4
74.02435	6.9
74.06068	7.7
74.97593	0.7
75.02683	0.9
77.00905	0.7
79.05476	1.4
81.03405	2.3
81.07057	1.3
81.99979	0.5
82.01440	1.0
84.04478	2.6
85.02901	4.9
86.99346	2.6
87.02686	13.8
87.53489	0.5
89.00791	1.1
90.01521	1.2
91.00535	1.2
91.05456	1.6
94.03761	0.5
94.06557	1.0
95.01918	0.8
95.04954	1.6
95.08598	0.6
96.01532	1.0
97.01368	1.3
97.02875	1.6
98.01303	1.8
98.97578	3.8
100.02468	6.7
101.00819	2.1
101.02565	0.6
102.02293	0.7
102.04853	1.0
102.05532	17.2
103.02422	1.9
103.05856	0.6
103.32617	0.4
104.01282	1.2
104.05320	52.7
105.00349	4.0
105.03746	0.8
105.05646	0.8
105.07009	1.3
107.01823	0.8
109.02891	2.4
109.06519	0.6
110.01289	3.1
110.01959	0.5
110.97546	0.8
111.00221	1.4
111.04414	1.2
112.04740	0.6
112.54180	0.5
113.01742	0.8
115.02420	9.7
116.98597	2.9
118.03499	4.4
119.01855	6.6
119.03588	0.9
119.04922	1.0
120.03271	0.6
121.03456	0.9
122.03185	3.0
122.06018	0.9
123.01383	1.6
123.04408	1.6
123.53519	0.6
127.02397	3.5
128.02168	1.6
128.98602	0.8
131.01895	1.4
132.01857	0.6
132.05074	0.8
133.03200	37.4
134.03481	1.3
134.99631	1.3
137.02910	1.8
138.03949	0.7
144.99809	0.7
145.03455	33.6
146.03633	1.4
146.99651	1.1
150.02660	8.5
150.03726	1.3
150.05602	4.8
150.07730	0.7
150.09117	1.9
150.11203	0.7
150.96896	0.6
151.02751	0.6
151.03865	1.4
151.06287	0.8
151.07524	2.1
156.05026	1.0
161.02913	0.9
163.00861	0.8
163.04535	9.7
164.04619	0.6
165.00638	0.6
168.05017	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	149.0959
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	2.4
55.01868	3.1
55.05503	1.1
57.05267	0.5
62.01046	0.5
65.03936	50.0
66.04269	1.2
67.05485	2.0
69.03417	2.0
69.07050	0.8
71.53043	0.7
77.03916	0.6
78.04691	1.1
79.05067	0.9
79.05486	10.0
81.04546	0.8
81.07049	2.2
89.03910	1.8
91.05473	14.4
92.05796	0.5
93.03400	11.4
93.07036	18.5
94.07343	0.7
95.04961	3.3
95.08557	0.8
98.03631	2.6
103.05462	4.1
105.03320	0.6
105.07031	4.6
107.04945	1.4
107.08591	5.7
107.57928	0.6
108.04484	1.0
109.06494	0.9
109.07639	0.8
110.08442	1.4
111.03701	1.1
111.04429	11.2
116.06215	1.3
117.03358	0.7
119.08564	0.8
121.02854	56.9
121.03958	14.1
121.06493	7.3
121.10139	4.6
122.03208	2.8
122.04256	0.9
122.07145	2.1
129.06972	0.5
131.04932	2.0
131.08546	2.3
133.06453	0.9
134.03671	0.7
134.07251	1.9
140.08162	0.6
149.02330	100.0
149.05925	5.5
149.08385	1.2
149.09610	14.5
149.13274	1.9
150.02667	5.7
150.03754	0.8
150.05559	0.8
150.10173	2.0
154.76259	0.6
167.03433	1.8
169.03435	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.1167
Annotation	Viridiene
Peak:m/z	Relative Intensity
53.03940	1.6
55.05508	10.0
64.92806	1.1
65.03924	4.1
67.05486	2.0
69.07046	2.5
69.69011	1.0
71.04979	1.0
79.05487	8.4
79.65180	1.1
84.04505	1.5
84.08146	1.3
90.51489	0.9
91.05477	59.2
92.05798	3.4
93.07033	4.1
95.04945	2.3
103.05467	5.1
104.06243	2.8
105.07027	72.3
106.07292	2.3
107.04935	2.5
107.08587	7.3
115.05439	2.6
116.06198	2.3
117.07011	17.3
119.04946	19.5
119.08577	100.0
120.04411	1.6
120.05282	1.1
120.08887	4.3
121.09329	0.9
123.96448	1.2
128.06238	1.1
129.07005	2.7
130.07790	1.4
131.08568	3.1
132.05690	3.5
132.09343	7.9
145.10118	11.3
147.04428	13.9
147.08035	11.9
147.10507	2.5
147.11681	51.3
148.03822	1.4
148.04886	1.3
148.07516	1.5
148.08609	1.3
148.12022	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	149.0961
Annotation	Dehydrocarvacrol
Peak:m/z	Relative Intensity
52.81849	0.8
53.03942	3.8
55.01858	2.9
55.05488	2.3
65.03937	47.2
66.04265	1.2
67.05493	0.8
68.44242	0.8
69.03414	1.5
69.28155	0.7
69.59552	1.7
69.59953	5.1
74.33855	0.7
78.04688	0.9
79.05486	11.0
81.07040	3.1
84.28257	0.8
89.03898	3.2
90.59993	0.8
91.05476	33.3
92.05842	1.6
93.03394	12.5
93.07034	18.2
95.04981	5.4
98.03666	1.7
98.21462	1.6
103.05473	7.3
105.04494	1.4
105.06319	1.0
105.07024	14.8
107.04962	7.0
107.08586	5.2
109.06510	17.2
109.07639	1.1
110.08415	2.9
111.04433	9.0
115.05453	2.7
116.06223	6.0
119.08563	3.1
121.02855	54.0
121.03969	13.6
121.06491	72.7
121.10128	13.1
122.03169	1.8
122.07047	2.7
123.08060	2.1
123.11226	0.8
124.62711	0.7
129.06999	2.1
131.04901	1.8
131.08537	8.0
133.06493	1.6
133.07536	1.0
134.07263	2.1
135.04456	0.8
137.32465	0.8
149.02333	100.0
149.06010	5.8
149.08058	2.4
149.09599	33.3
150.02657	3.4
150.05542	1.0
150.10104	2.3
167.03349	2.2
169.03442	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	146.0923
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	0.8
55.01869	2.4
55.05507	5.2
56.05033	3.7
56.96563	7.8
57.03442	4.4
58.06593	4.6
60.05644	22.0
61.02927	3.8
68.00245	0.7
68.05030	0.8
69.03425	14.6
70.03760	1.5
70.06590	1.1
71.01367	2.2
71.51864	0.9
72.07751	1.6
72.08150	31.8
72.08546	1.6
73.02912	4.9
73.06561	1.3
73.08488	2.8
74.06080	3.3
74.07201	0.8
75.09246	1.1
77.00893	1.8
79.00670	1.1
81.01885	0.7
81.03408	2.2
82.02670	0.8
82.06578	15.2
83.00837	0.7
83.01665	1.0
83.04998	0.8
83.06110	3.1
84.01575	0.8
84.04499	26.9
84.08138	11.4
85.02896	5.2
86.03226	2.6
86.06061	82.8
87.01902	1.4
87.04461	100.0
88.02676	2.4
88.04795	2.8
88.07609	1.6
89.00828	1.0
90.02420	1.3
91.05480	8.3
92.01286	1.1
93.01897	2.2
94.02672	2.0
95.01620	0.9
96.02433	3.7
97.02869	4.1
98.97575	5.5
99.04421	1.2
100.04754	1.2
100.07608	15.6
101.00883	4.5
101.01714	2.8
101.07151	1.0
102.02416	5.0
102.05535	1.0
103.00609	1.2
103.02426	2.4
103.10934	0.7
104.07093	13.1
105.02029	0.8
107.01651	0.9
108.02346	0.9
109.02925	1.4
110.01254	1.0
110.06058	0.7
110.97569	1.2
111.02897	3.6
111.05566	10.1
112.11251	7.0
113.00863	0.9
115.02427	1.5
116.98603	4.3
119.01901	13.0
119.04929	8.0
120.02057	1.1
121.01651	3.3
121.03493	1.2
122.02032	2.1
123.03081	0.6
127.03883	1.3
128.07063	2.4
128.08185	8.7
128.98605	2.1
129.06586	1.9
129.13878	1.1
130.04991	9.2
130.08626	1.8
131.01900	7.3
133.03482	1.7
134.99692	1.9
137.02942	2.9
143.01891	3.0
145.03462	3.1
146.06038	1.3
146.08122	4.4
146.09218	38.9
146.99611	1.9
147.04335	2.4
147.09616	0.7
149.01178	1.7
149.02979	1.4
157.03494	1.6
160.07706	0.7
161.02946	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	146.0923
Annotation	4-Guanidinobutanoate
Peak:m/z	Relative Intensity
53.03944	0.9
55.05510	4.8
56.05006	3.2
56.96559	3.8
57.03416	3.5
57.04546	1.4
60.05643	23.7
61.02895	1.7
65.03938	1.6
66.37004	1.0
68.04997	1.1
69.03426	12.2
70.03728	1.2
71.01333	1.4
71.04932	0.9
71.13512	1.9
72.08138	7.3
73.02888	3.5
73.06533	1.6
74.06069	1.7
74.07181	0.9
77.17915	0.8
81.01893	1.3
81.03404	2.5
82.02667	0.8
82.06583	7.7
83.06075	3.4
84.04497	21.9
84.08141	6.0
85.02878	3.7
86.06059	87.2
87.04459	100.0
88.02659	0.9
88.04803	1.9
90.09169	2.7
91.05470	7.2
93.01914	1.3
95.01670	1.0
96.02419	1.7
97.02871	3.6
98.97555	3.3
100.02498	1.1
100.07597	10.3
101.00866	2.5
101.01685	1.4
101.07153	0.9
102.02386	3.0
103.02421	2.8
103.06310	0.8
104.07096	13.1
111.02892	1.4
111.05555	10.9
116.98587	1.5
117.52808	0.8
119.01918	5.7
119.04935	6.7
120.01976	1.1
120.03522	0.8
121.01640	2.1
121.03455	1.7
128.07127	1.6
128.08176	7.8
129.04015	1.0
129.06598	2.1
130.04961	5.5
130.08629	0.9
131.01910	4.7
133.03479	1.1
134.99608	1.0
135.04980	0.8
143.01892	1.1
145.03438	1.6
146.06020	1.3
146.08130	2.9
146.09222	44.8
146.12875	1.3
147.05008	2.8
147.09573	0.9
157.48204	0.7
161.02914	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	143.0188
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	0.6
56.14141	0.4
57.03439	1.1
58.99862	3.3
60.04520	0.8
63.89503	0.4
69.03418	1.6
69.07436	0.4
69.52399	2.6
69.52821	1.6
70.99848	4.4
73.27245	0.5
77.00902	4.3
81.04533	8.8
82.99838	1.3
83.06103	0.6
85.02891	3.3
89.00890	3.7
95.01947	1.3
95.06098	3.7
97.02895	0.7
100.02500	0.9
101.00870	31.7
102.00969	2.1
102.02412	0.5
103.02425	1.2
115.02408	0.8
118.03539	0.7
118.94274	0.4
119.01913	100.0
120.01988	7.1
121.03442	0.6
124.02454	1.0
124.37425	0.4
125.02333	0.7
125.07116	2.9
131.01897	0.8
133.03430	0.8
137.02943	19.7
138.03093	1.0
138.24345	0.5
142.03465	3.7
143.01900	3.8
143.03381	7.1
143.08153	1.3
143.11798	0.6
144.06531	0.5
144.10222	1.4
161.02942	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	143.0189
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	0.9
55.05464	0.6
56.05030	0.9
56.96562	1.7
57.03422	1.3
58.06581	1.4
58.13643	0.6
58.99852	2.8
66.11221	0.7
69.03423	2.7
70.06586	1.5
70.99854	5.1
71.39864	0.6
73.02908	1.1
77.00908	5.2
77.99127	0.6
81.03397	0.7
81.04521	3.2
82.99825	2.3
84.08123	0.7
85.02908	1.3
89.00893	3.4
91.32040	0.6
93.53458	0.8
95.01938	1.2
95.06084	1.9
97.02889	1.7
98.09686	12.9
98.97589	1.2
100.02467	1.9
101.00872	35.4
102.00974	2.2
102.02367	0.9
102.96876	0.7
103.02433	1.2
109.02895	0.6
115.02417	1.4
118.03480	1.0
119.01913	100.0
120.02010	7.2
121.01583	0.7
124.02507	0.7
125.02367	1.0
131.01927	1.7
133.03459	1.6
137.02945	18.2
138.03015	1.3
142.03476	3.0
143.01941	3.5
143.03401	13.4
143.08112	0.9
144.10179	3.8
161.02959	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	143.0189
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	1.7
56.96560	2.5
57.03417	1.1
58.99862	3.1
61.02926	0.9
65.71275	0.6
69.03419	4.7
69.35246	5.5
69.35650	1.3
70.06581	1.2
70.99860	4.6
73.02910	0.6
77.00903	5.3
81.04541	4.4
81.34528	0.8
82.99841	1.1
84.08137	0.7
89.00884	2.5
95.01944	1.5
95.06078	1.3
97.02876	5.2
98.06029	1.0
98.09689	8.4
98.20765	1.2
100.02488	1.2
101.00870	27.0
102.00949	0.8
103.02431	1.5
107.01904	0.9
111.02976	0.7
118.03561	0.8
119.01909	100.0
120.01995	7.6
121.01579	1.3
121.03465	0.7
125.02341	3.3
125.07104	1.7
131.01949	1.0
133.03450	1.4
137.02945	21.2
138.03038	1.6
142.03520	4.1
143.01912	2.2
143.03380	35.8
144.03764	0.9
144.10143	4.1
161.02951	6.1
162.03061	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	142.0348
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	1.2
56.96570	5.2
57.03429	1.9
58.99854	2.2
69.03429	1.7
69.52565	4.9
69.52985	3.4
70.99845	4.4
72.77479	1.0
73.02919	2.5
77.00888	3.3
77.70255	1.0
81.04535	2.0
82.99834	1.2
85.02903	1.2
89.00847	2.4
91.70242	1.0
92.01275	1.2
95.01923	1.2
96.08115	3.3
98.97581	4.5
100.02499	2.2
100.97183	1.2
101.00874	26.9
101.01506	2.2
102.02374	1.4
116.98611	2.3
118.03505	2.7
119.01907	100.0
124.02454	1.4
136.04498	1.3
137.02939	20.3
142.03494	10.0
143.01886	2.2
143.03401	5.4
143.38014	1.0
160.04559	4.7
161.02946	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	142.0349
Annotation	Unknow
Peak:m/z	Relative Intensity
50.58747	3.9
55.16244	4.9
63.14371	4.9
67.61472	4.5
70.93954	11.2
98.20822	5.2
101.00851	16.3
101.59349	4.7
118.03527	7.8
119.01911	100.0
136.04494	6.3
137.02945	32.9
137.49973	14.9
142.03493	21.7
160.04463	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	142.0349
Annotation	Unknow
Peak:m/z	Relative Intensity
51.65263	1.6
55.11432	1.5
56.96558	2.9
70.16099	3.0
70.16515	4.6
78.44690	1.7
82.99826	3.1
83.25616	1.3
84.42680	1.7
87.09010	1.5
94.60770	1.6
98.21436	1.7
100.02475	3.8
100.97205	2.1
101.00871	25.5
118.03510	7.6
118.98232	2.2
119.01913	100.0
120.02013	2.6
126.69214	1.4
136.04530	6.0
137.02945	30.0
138.06564	1.6
142.03494	18.3
143.03384	5.6
160.04520	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	140.0019
Annotation	Unknow
Peak:m/z	Relative Intensity
52.18168	0.6
55.49021	0.5
55.65525	0.6
56.05032	1.0
56.96561	31.1
57.93560	0.6
67.95206	0.5
70.96935	1.3
71.95267	5.5
98.97578	100.0
99.97910	0.9
104.09017	0.6
109.78242	0.7
112.84843	0.6
116.98612	77.1
117.98959	1.2
134.99644	37.4
135.57263	0.7
140.00182	1.7
140.03421	1.9
153.00703	4.7
158.01305	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	140.0019
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96561	32.5
60.19462	0.8
70.08700	3.5
71.95258	5.9
89.18594	0.9
98.97573	100.0
99.97913	1.2
116.98608	70.5
117.98966	1.1
134.99644	29.6
140.00165	2.0
153.00696	3.4
158.01280	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	139.1116
Annotation	Nona-2,6-dienal
Peak:m/z	Relative Intensity
53.03941	2.9
53.95092	0.9
54.03469	6.1
54.84945	0.7
55.01875	4.4
55.05507	9.5
56.03783	1.8
56.05033	13.9
56.59933	0.7
56.96562	26.7
57.03425	1.5
57.04550	2.3
57.07065	3.5
57.93563	6.5
58.02942	2.0
58.06584	1.9
59.04993	4.0
59.06124	5.3
60.04522	0.9
62.85577	0.7
65.03935	13.2
66.01133	0.7
66.04255	1.5
66.24579	0.6
67.02979	1.3
67.05494	7.8
68.05022	4.0
68.99789	0.9
69.03424	100.0
69.04527	2.1
69.07063	8.2
70.02978	0.9
70.03757	2.1
70.06596	4.6
70.65368	2.8
71.06107	7.0
71.95255	3.7
72.04518	2.3
79.05492	7.7
80.05022	2.6
81.04527	6.4
81.07043	4.9
82.02911	4.0
82.06570	2.3
83.04979	18.8
83.06095	10.9
83.08619	1.1
84.04503	3.5
84.05627	1.3
85.02877	0.7
91.05466	5.8
92.16965	0.9
93.03391	2.8
93.04537	1.2
93.07033	17.4
94.02878	0.8
94.04179	1.0
94.06564	3.9
95.01360	0.9
95.04964	11.0
95.06067	9.0
95.08598	8.6
96.04509	1.9
96.05637	10.0
96.08907	0.8
97.02889	2.2
97.06507	19.5
97.07625	2.3
98.06137	1.1
98.07182	25.6
98.09684	0.9
98.97581	33.7
98.98457	10.3
99.05582	9.5
103.05499	0.9
105.04503	1.4
105.07034	5.6
108.05750	1.5
109.02846	0.9
109.06500	1.2
109.10181	0.9
111.04433	23.2
111.08066	3.1
111.09151	0.8
112.04001	1.9
112.07587	1.8
112.08739	4.1
113.07126	4.8
116.97279	11.7
116.98608	39.2
121.02868	5.1
121.03978	1.2
121.06538	1.5
121.10136	15.4
122.03226	0.7
122.06015	2.1
122.07143	15.5
122.10549	0.8
123.05542	18.1
124.05230	3.3
124.07861	0.8
125.02343	1.2
126.48506	0.8
128.03458	1.1
134.99648	47.1
139.03893	4.2
139.04964	1.6
139.07594	7.6
139.08710	1.2
139.09804	9.6
139.11177	44.2
140.00204	1.6
140.03395	3.6
140.04486	0.9
140.07057	2.5
140.08153	19.2
140.10611	1.0
140.11617	1.8
141.06558	3.8
148.96161	0.8
152.91353	0.7
153.00699	11.1
156.18875	0.8
158.01280	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	137.1323
Annotation	(R)-(-)-alpha-Phellandrene
Peak:m/z	Relative Intensity
53.03940	2.8
53.87909	0.9
55.05499	6.3
57.07071	12.7
65.03922	2.5
66.04697	1.5
67.05501	30.0
69.04533	1.2
69.07062	9.9
69.77840	5.0
69.78242	2.1
70.45134	1.2
72.04510	1.9
74.61662	1.1
79.05476	9.2
81.03430	2.2
81.07050	68.2
82.07378	2.7
91.05476	7.3
93.07030	8.9
94.02929	1.3
94.04192	7.5
95.04950	3.6
95.08600	100.0
96.04503	1.1
96.08942	3.8
97.06372	3.4
98.20857	2.3
101.04271	1.2
107.04898	1.7
109.06496	4.3
109.10146	11.8
110.05996	1.6
110.07143	5.0
119.08549	1.3
122.03648	13.0
122.07272	2.0
129.40688	1.0
137.02477	6.4
137.03352	1.1
137.05957	22.0
137.08179	2.8
137.09576	4.7
137.13223	11.0
137.44554	1.1
138.01703	3.1
138.05473	5.3
138.06522	2.9
138.09122	2.1
138.10132	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.1323
Annotation	alpha-Terpinene
Peak:m/z	Relative Intensity
51.02375	0.7
53.03935	3.4
54.03468	1.7
55.01860	1.7
55.05503	6.4
56.03786	1.1
56.05029	1.4
57.01762	0.4
57.03440	0.5
57.07070	12.8
65.03928	2.8
66.04723	2.5
67.05498	35.0
68.05019	2.2
68.05831	0.7
69.03417	1.3
69.04549	2.2
69.05353	0.7
69.07056	7.6
70.06587	1.0
70.87341	1.1
72.04508	1.4
73.24906	0.4
75.72995	0.5
77.03891	0.6
79.05485	14.9
80.05015	0.9
80.05820	0.9
81.03403	1.7
81.04546	2.8
81.07047	76.0
82.06569	1.5
82.07372	2.9
83.06100	1.9
91.05468	12.4
92.04971	1.0
92.05816	0.7
93.04511	0.8
93.06466	1.0
93.07034	9.7
94.02936	1.0
94.04175	22.9
94.06585	1.4
95.04505	0.7
95.04986	5.9
95.06127	1.2
95.08595	100.0
96.04494	1.6
96.05604	2.1
96.08927	3.4
97.03999	0.9
97.06390	8.1
97.07655	1.3
98.04806	2.6
105.04489	1.2
107.04963	1.8
107.08601	1.8
108.09377	0.7
109.02858	0.6
109.06509	6.9
109.07645	0.9
109.10144	10.1
110.01450	0.5
110.06049	2.4
110.07173	6.2
110.07899	0.7
110.10471	0.8
111.05563	1.7
119.04951	2.4
119.08588	1.3
120.04441	1.9
120.05618	0.7
121.06483	1.9
121.07642	0.5
122.03636	23.1
122.07280	8.6
123.03999	1.4
127.03879	0.6
137.02483	8.3
137.05962	41.9
137.08104	3.2
137.09612	13.0
137.10558	0.4
137.13229	10.4
138.01799	2.7
138.02669	0.6
138.05472	5.3
138.06526	5.1
138.09119	2.5
138.10165	1.8
138.13635	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	139.1117
Annotation	Nona-2,6-dienal
Peak:m/z	Relative Intensity
50.77043	0.4
53.03944	1.1
53.08783	0.4
54.03467	1.4
55.01862	1.5
55.05512	4.7
56.05036	3.1
56.96565	4.6
57.03424	0.7
57.04565	0.5
57.07071	2.7
57.93559	0.9
58.02943	0.5
58.06595	1.2
59.05006	2.7
59.06126	0.9
63.12188	0.4
65.03938	2.2
67.05497	2.8
68.05035	0.6
69.03425	100.0
69.07063	4.0
70.03754	2.0
70.06557	0.5
71.06105	0.9
71.51550	0.7
71.95245	0.7
79.05482	4.1
80.04990	0.5
81.04559	2.0
81.07050	2.2
82.02917	0.8
83.04974	10.0
83.06085	2.4
83.08647	0.4
84.04511	1.4
91.05471	3.0
93.03396	0.8
93.07035	9.6
94.06568	0.5
94.07359	0.8
95.04973	3.7
95.06084	1.7
95.08600	4.2
96.05659	2.0
97.02893	0.5
97.06525	11.7
97.07526	0.5
97.10172	0.6
98.07188	4.4
98.97582	8.3
98.98441	1.8
99.05590	1.6
103.05515	0.6
105.07041	3.9
109.06515	0.6
111.04424	3.5
111.08071	1.5
112.08723	1.1
113.07148	1.0
116.97286	2.3
116.98605	8.7
119.08542	0.7
121.02866	0.9
121.06514	1.2
121.10146	9.3
122.06005	0.5
122.07147	2.9
122.10461	0.6
123.05540	4.0
124.05170	0.8
134.99646	5.9
139.03865	1.2
139.07579	2.7
139.09862	1.7
139.11168	41.3
140.03441	1.0
140.07104	0.7
140.08168	5.7
140.11490	2.4
141.06592	0.6
153.00673	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.096
Annotation	2-Isopropylphenol
Peak:m/z	Relative Intensity
51.02368	1.7
53.03942	7.1
54.03463	4.6
55.01858	3.2
55.05507	8.9
56.05020	2.1
57.03422	1.4
57.07073	3.5
62.51251	1.2
65.03931	4.6
66.04712	6.7
67.05502	54.0
68.05007	3.8
69.03412	3.8
69.04531	3.9
69.07052	4.8
69.45999	9.5
69.46407	2.0
72.04505	1.5
79.05492	16.4
80.05022	1.4
81.03413	5.6
81.04539	10.7
81.06588	2.8
81.07048	38.7
82.06567	2.0
83.06095	3.3
84.08148	1.7
91.05474	33.0
92.05816	1.8
93.04501	1.7
93.07034	13.4
94.03606	2.8
94.04182	43.1
94.06554	2.3
95.04965	13.0
95.06049	1.7
95.08601	39.7
96.05609	4.4
96.06874	2.3
97.06393	17.9
97.07669	2.6
98.04803	3.2
103.05463	2.8
104.06234	1.7
107.04952	23.2
107.08626	3.3
109.06516	10.2
109.10149	38.1
110.06051	2.1
110.07157	15.6
111.05568	3.4
115.09734	1.4
117.07011	2.4
119.04940	2.2
119.08581	20.5
120.04462	1.9
120.05550	1.8
120.08936	1.5
121.06497	10.2
121.07580	1.4
122.02756	2.9
122.03643	58.2
122.07278	100.0
123.06827	2.0
123.07625	4.0
135.08092	2.9
137.02467	10.3
137.05969	98.1
137.08214	7.5
137.09608	89.7
137.10399	1.9
137.13234	3.2
138.01704	2.7
138.05478	5.0
138.06447	7.5
138.09088	2.0
138.09993	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	137.0596
Annotation	3-Hydroxy-5-methylbenzaldehyde
Peak:m/z	Relative Intensity
52.30567	1.8
54.03435	1.8
67.05491	3.5
69.04545	3.6
70.86687	2.4
70.87021	4.8
73.94839	1.8
81.04517	5.6
81.07047	3.1
89.58158	1.6
91.05476	4.4
94.04159	4.7
95.04963	2.3
95.08586	3.6
95.74783	1.7
96.05602	3.0
97.06386	4.4
98.68513	2.3
99.44778	2.0
109.06470	2.0
109.59116	1.8
110.07162	4.8
111.05526	5.4
119.18673	2.1
120.15236	2.0
121.03958	2.3
122.03645	4.8
137.02434	2.4
137.05960	100.0
137.08173	3.5
138.06427	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	137.0597
Annotation	Toluate
Peak:m/z	Relative Intensity
52.97702	0.5
53.03942	1.0
55.01873	1.5
55.05505	0.8
55.44246	0.4
56.96562	15.8
56.96848	0.8
57.03435	2.0
58.06601	1.6
58.99858	0.8
59.99964	1.2
60.99620	0.6
61.02914	0.6
62.98512	0.5
65.03933	8.7
67.05508	1.4
68.05019	0.5
68.99781	1.9
69.03098	0.6
69.03420	3.4
69.07117	0.5
69.32646	1.0
69.33057	3.7
71.01344	0.5
73.02910	2.7
74.97590	1.1
75.01897	0.6
77.00882	0.7
79.05499	2.5
81.03416	2.1
81.07055	5.8
82.01437	0.8
82.06570	1.4
84.08150	0.7
85.02908	1.5
87.01901	0.5
88.02703	0.9
91.05474	100.0
92.05804	5.4
93.05786	0.5
93.07037	1.5
94.02669	0.7
94.04179	4.4
94.06582	1.3
95.04945	1.7
95.08609	2.8
96.04480	3.8
97.02888	0.9
97.99185	1.0
98.01315	1.0
98.03239	0.5
98.03929	0.5
98.97582	1.8
100.02481	4.7
101.00870	2.1
102.02375	2.1
103.02435	2.5
105.00307	0.8
105.02134	0.6
107.04932	1.6
108.02377	1.1
109.02882	0.8
109.06498	5.3
110.06037	1.1
111.00232	2.4
111.02914	2.4
113.00846	1.0
114.00998	1.9
114.60770	1.5
115.00610	1.6
115.01288	0.7
115.02409	3.3
116.98609	1.0
117.02894	1.1
118.03513	2.9
119.01906	6.8
119.04931	31.3
120.00787	1.0
120.01901	0.5
120.03389	1.3
120.04444	0.7
120.05254	1.4
121.01627	0.5
121.03479	1.7
121.06480	1.4
122.03687	4.3
122.07317	0.5
123.04324	0.5
126.03436	1.0
128.98605	0.7
131.01898	8.7
132.01990	20.7
132.05020	0.5
133.01633	15.2
133.03442	11.0
137.02299	1.0
137.04657	1.2
137.05954	39.5
137.09572	1.3
137.10616	0.8
138.05467	5.5
138.06363	1.4
138.09132	0.9
143.00180	0.6
143.01888	1.8
144.99756	0.7
145.03465	2.3
147.01329	0.5
149.02925	2.2
150.03073	7.9
151.02698	4.6
151.04494	3.0
155.01854	4.7
155.03642	1.0
156.03252	0.5
156.05002	0.8
157.03459	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0596
Annotation	3-Hydroxy-5-methylbenzaldehyde
Peak:m/z	Relative Intensity
51.02373	0.7
53.03941	1.6
54.04263	0.3
55.01862	1.7
55.05505	0.7
55.20078	0.4
65.03928	2.4
66.04384	0.6
66.04720	7.6
67.05499	3.3
68.05055	0.3
68.35276	0.3
69.03408	0.7
69.07069	0.6
69.58097	1.3
69.58533	1.4
74.13201	0.3
77.03918	1.2
79.05488	6.2
81.03401	1.6
81.07052	8.1
91.04909	0.4
91.05474	8.0
92.04987	0.5
92.05811	0.4
93.07027	1.8
94.04176	52.7
94.06561	0.9
95.04478	1.2
95.05013	2.9
95.08601	5.5
96.04491	0.4
97.06399	0.8
105.03391	0.8
105.04498	0.8
107.04934	2.5
109.02885	0.4
109.06509	2.8
109.10150	1.1
110.01416	0.5
110.06033	1.4
110.07174	0.5
118.14315	0.4
119.04923	1.1
120.04475	0.9
122.03638	68.0
122.07259	1.3
123.03993	2.5
135.04413	0.9
137.02509	5.6
137.05963	100.0
137.09526	2.8
137.13274	0.5
138.01721	1.8
138.05460	3.4
138.06345	3.6
138.09094	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0596
Annotation	3-Hydroxy-5-methylbenzaldehyde
Peak:m/z	Relative Intensity
53.03941	1.4
55.01864	0.8
59.96626	0.4
65.03944	2.1
66.04718	6.4
66.42062	0.4
70.97531	1.1
77.03930	0.9
79.05484	4.8
81.07032	2.5
91.05478	4.0
94.04179	50.3
95.04468	0.9
95.04989	1.0
105.03361	0.6
107.04954	2.5
109.06529	0.4
122.03637	72.0
123.03982	1.9
127.06044	0.4
135.04404	1.1
137.05965	100.0
138.06313	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	136.0617
Annotation	Adenine
Peak:m/z	Relative Intensity
56.96564	0.8
70.69804	1.2
91.05475	1.4
92.02500	0.9
94.04053	3.9
109.05091	0.6
119.03536	11.8
119.04861	0.5
136.02161	1.5
136.06168	100.0
137.04576	6.7
137.06500	2.1
142.19136	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0598
Annotation	Toluate
Peak:m/z	Relative Intensity
51.02345	0.3
52.60166	0.2
53.03933	0.9
54.03458	0.9
55.01867	1.8
55.02983	0.5
55.05509	2.0
56.05027	0.7
56.96563	31.9
57.03434	1.5
57.07064	0.4
58.06599	1.6
58.99866	0.4
59.05010	0.3
59.07382	0.6
60.02156	0.3
61.02917	0.5
65.03937	8.4
66.03474	0.3
66.04279	0.4
66.04718	0.7
67.05500	2.9
67.51066	0.7
68.05017	1.0
68.99788	1.6
69.03436	1.8
69.04548	1.3
69.07051	0.5
70.02957	0.5
70.06586	0.6
70.37394	0.8
70.98107	0.4
71.01340	0.3
71.04978	0.4
71.95255	0.8
72.04510	0.4
72.08146	0.5
73.02891	0.7
74.00238	0.3
74.06077	1.0
74.97613	2.1
77.00907	0.7
79.05488	2.9
79.52789	0.2
80.05019	0.8
81.03422	3.2
81.04536	3.7
81.07053	6.9
82.06572	1.0
83.00799	0.4
83.03445	0.3
83.04984	0.3
83.06102	1.0
83.52367	0.3
84.01538	0.5
84.08173	0.4
84.96033	0.7
85.02886	0.9
87.50023	0.6
89.00807	0.5
90.01521	0.5
90.95740	0.2
91.00529	0.3
91.05476	100.0
92.05810	4.4
92.81569	0.2
92.98652	0.3
93.04523	0.4
93.07036	2.0
94.02969	0.3
94.04157	4.6
94.06558	0.9
95.01328	0.5
95.01927	0.4
95.04968	2.2
95.06106	0.7
95.08612	3.1
96.01560	0.5
96.04496	0.6
96.05600	0.8
96.50552	1.8
97.02335	0.4
97.02887	1.0
97.04052	0.4
97.06392	2.3
97.07651	0.8
97.96807	0.5
97.99178	0.9
98.01295	0.6
98.04795	0.5
98.97580	1.8
100.02476	2.8
101.00874	0.6
101.02566	0.4
101.99737	0.5
102.02319	0.5
103.02446	2.1
103.05436	0.3
103.99480	0.7
105.04500	0.3
105.07015	0.3
105.51100	0.7
105.52559	0.3
106.01003	0.4
107.01833	0.6
107.04933	1.0
109.02891	0.7
109.06510	4.8
109.07609	0.5
109.10162	0.7
110.01321	0.6
110.03536	2.7
110.06052	0.9
110.07167	2.9
110.97535	0.4
111.00225	2.1
111.02072	0.5
111.02856	0.5
111.04451	0.4
111.05556	1.9
111.09272	0.4
114.00932	0.6
114.01634	0.4
114.60716	0.6
115.00625	1.0
115.01279	0.4
115.02391	1.8
116.00243	0.6
116.01220	0.3
116.98643	1.4
117.02757	0.4
117.04007	1.2
118.01176	0.3
118.03513	2.1
118.52107	0.9
119.01885	2.6
119.03688	2.5
119.04934	30.5
120.00745	0.8
120.03268	0.5
120.04478	0.6
120.05374	1.2
120.08131	0.5
120.98976	0.4
121.01630	0.3
121.03499	0.9
121.05753	0.3
121.06514	1.6
121.07603	0.7
122.03027	0.3
122.03674	2.9
122.07256	1.0
122.51043	0.3
123.02055	0.4
126.53003	0.3
127.03860	0.4
128.01285	0.3
128.98608	0.7
129.04031	0.5
129.99507	0.5
131.01913	2.6
132.01973	8.7
132.05077	1.2
132.49727	0.5
133.01633	6.2
133.03481	12.5
133.04578	2.1
134.01259	0.4
134.99661	1.2
135.05037	1.2
137.02396	3.1
137.03671	0.8
137.04601	24.7
137.05983	32.2
137.08205	2.7
137.09578	0.7
137.10751	0.9
137.13225	0.4
138.01788	0.5
138.02872	0.4
138.05463	1.5
138.06503	2.1
138.09137	1.0
138.10281	1.2
143.00177	0.5
143.01895	1.1
144.04375	1.1
145.01733	0.4
145.03436	0.9
146.99661	0.4
147.05072	0.5
149.01193	0.5
149.03011	0.7
150.03043	3.0
150.06163	0.8
151.02693	1.9
151.04510	5.0
154.94165	0.3
155.00140	0.6
155.01912	1.9
155.03525	0.6
155.99744	0.8
156.05006	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.1168
Annotation	o-Cymol
Peak:m/z	Relative Intensity
52.87830	0.9
53.03937	6.7
53.67791	0.8
55.01860	1.4
55.05509	12.1
65.03924	3.2
67.05492	4.1
68.05013	3.0
69.07057	3.5
69.45078	0.9
79.05487	29.4
81.07056	4.5
91.05472	51.9
92.05796	2.6
93.07033	58.7
93.68820	1.0
94.07345	1.6
94.07865	1.4
95.04958	10.2
95.06073	1.6
96.06871	2.4
98.20715	1.9
102.47191	0.9
103.05476	0.9
105.04486	2.1
105.07021	23.0
107.04945	6.5
107.08582	100.0
108.08923	4.2
109.01095	2.5
109.06510	7.2
109.07627	2.1
115.05428	2.1
117.06998	3.2
119.06049	4.1
119.08553	10.4
120.09349	2.6
121.15023	1.0
135.04419	2.1
135.06570	1.3
135.08040	7.1
135.11681	17.9
136.02147	25.3
136.03851	1.1
136.06184	1.8
136.07523	3.8
136.08598	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	135.1168
Annotation	o-Cymol
Peak:m/z	Relative Intensity
53.03938	6.9
55.01871	1.2
55.05504	10.3
57.07069	2.0
65.03924	6.1
67.05496	5.3
68.05025	6.0
69.03399	1.1
69.07044	3.4
70.71781	3.4
76.22481	0.8
77.03922	1.4
79.05483	29.0
81.03357	1.0
81.07049	5.0
91.05470	62.5
92.05804	1.7
93.07033	50.8
95.04967	11.5
95.06073	2.2
96.06851	3.2
103.05433	1.8
105.04512	3.0
105.07021	29.0
107.04942	11.4
107.08582	100.0
108.08906	3.5
109.01093	4.2
109.06499	9.5
109.07636	4.0
115.05428	4.4
116.37236	0.9
117.06989	4.1
119.06059	5.2
119.08569	18.6
120.09366	4.9
131.01895	1.1
133.10072	1.1
133.40428	0.9
134.08484	0.9
135.04413	5.6
135.05370	1.2
135.06624	2.5
135.08031	9.2
135.09070	1.9
135.10701	1.9
135.11676	30.6
136.01106	2.2
136.02148	42.9
136.03902	3.1
136.05116	1.9
136.06172	5.1
136.07561	3.0
136.08582	5.4
136.11964	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	136.0243
Annotation	Unknow
Peak:m/z	Relative Intensity
51.49675	0.3
54.77200	0.3
55.01905	0.3
56.96564	3.9
57.03449	0.6
58.99858	3.3
63.81034	0.3
65.03979	1.1
65.20351	0.3
67.81834	0.3
69.03414	0.6
71.51648	0.3
71.52013	0.3
73.02939	0.3
74.97610	0.4
77.00941	1.3
78.52968	0.4
79.05502	0.6
81.07092	0.4
85.01407	0.4
85.02908	0.3
86.67443	0.3
89.41993	0.3
91.05473	18.3
93.05766	0.3
94.04107	1.0
94.99855	0.9
95.01938	0.4
97.42085	0.3
98.01296	0.4
98.97618	0.4
100.01115	0.3
100.02492	1.5
101.00896	0.8
103.02443	2.4
104.02533	0.3
108.08113	0.4
109.06500	0.3
111.00284	0.8
113.00859	13.1
113.01656	0.7
114.00935	0.6
118.03565	0.7
119.01915	2.5
119.03574	2.0
119.04925	6.2
120.71009	0.3
121.03499	0.8
122.02146	0.4
131.01894	100.0
132.01976	6.2
133.02382	0.3
136.02164	3.5
136.06168	16.6
136.07494	0.9
137.02975	0.6
137.04572	1.2
137.05960	4.9
145.03424	0.5
148.02747	0.3
149.02950	28.3
150.03072	2.1
154.03470	3.8
154.17633	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	134.0449
Annotation	Unknow
Peak:m/z	Relative Intensity
52.02197	3.9
53.03924	8.5
55.01857	4.9
56.05029	4.6
56.96542	19.9
57.03440	35.8
58.99862	5.1
59.06106	6.1
60.04496	10.2
65.03927	9.2
65.52192	6.0
69.03409	21.9
70.35344	11.6
72.52943	9.3
73.02898	20.6
75.05584	8.9
76.03981	5.1
77.00899	10.3
77.52161	4.3
78.52961	8.9
79.05487	30.6
79.63109	4.2
80.05009	7.8
81.03391	6.7
82.01437	6.8
84.52949	4.8
85.02876	5.9
85.13337	4.7
86.52702	46.5
87.02744	8.3
87.05577	27.7
87.53427	4.7
88.02647	19.1
88.51713	6.9
90.52930	8.3
91.05451	16.7
93.01881	4.8
93.07024	9.8
93.53455	13.8
95.01944	7.2
95.04941	12.9
95.53180	27.3
98.20907	5.2
99.53465	10.9
100.02473	67.5
100.52470	5.6
101.00880	21.3
101.02563	6.0
101.07131	4.9
102.02306	17.4
103.02441	5.5
103.05499	5.9
105.03417	5.1
105.04486	5.4
105.07027	10.3
106.06534	12.1
106.07327	8.9
107.04959	29.7
107.06091	21.3
107.08564	8.6
109.02859	5.6
110.54456	5.6
111.02944	35.2
112.02636	6.6
113.03410	18.2
115.02365	6.5
117.07039	6.0
118.03505	59.4
119.01907	100.0
119.03619	5.5
119.07269	4.9
120.02003	8.9
120.03291	10.0
120.04171	9.1
121.01646	12.2
121.03486	4.3
122.53690	12.1
123.03865	6.3
124.02412	6.3
124.54198	11.1
128.97829	5.4
129.03934	9.4
129.04736	6.5
130.03436	10.3
131.01871	34.2
133.03464	5.1
134.03593	6.1
134.05965	20.4
134.07086	24.8
134.09607	7.2
134.99678	4.4
135.04366	22.5
135.07947	5.1
135.73761	4.2
136.04466	6.0
137.02928	31.2
137.49956	12.8
137.98386	5.0
137.99992	4.5
138.03104	8.0
139.02527	7.0
142.02449	6.0
142.03482	71.3
143.03616	11.4
144.03224	7.5
145.03467	11.9
147.04982	19.8
149.02951	9.5
154.03503	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	132.102
Annotation	Isoleucine
Peak:m/z	Relative Intensity
53.03929	0.6
56.96560	4.7
57.03421	1.1
57.05793	0.5
58.06590	0.7
58.99573	0.4
59.04984	0.4
60.05634	0.4
60.95842	1.1
61.01144	2.0
61.02926	0.7
65.86482	0.3
69.03411	1.1
69.07062	15.5
70.07407	0.4
70.26082	1.3
71.04963	0.4
72.08152	0.5
73.02901	0.8
73.06544	0.3
73.08532	0.3
74.06073	0.3
74.75462	0.3
81.03428	0.5
85.02886	1.1
86.09698	100.0
87.02688	3.3
87.09998	2.1
97.02286	0.3
97.02888	1.6
98.97582	1.2
99.04436	0.4
102.96896	0.6
109.02885	0.4
110.01337	0.3
116.02546	0.7
116.98633	1.0
117.02173	0.5
119.01897	2.0
119.03741	0.4
120.02030	0.5
121.01593	0.6
131.01923	0.7
132.10185	0.9
133.01711	0.4
133.03307	0.9
134.99657	0.4
135.03250	0.5
135.05035	0.6
136.05179	0.5
137.02966	0.6
137.04811	0.7
142.03505	0.6
145.01685	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.1012
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	3.5
55.01849	0.9
55.05515	2.7
56.64467	0.5
57.04574	0.4
58.05350	1.1
58.85594	0.5
65.03938	1.6
67.05501	1.4
70.16759	0.5
71.52254	0.8
77.03920	1.7
78.04723	0.7
79.05490	18.1
85.04013	1.1
91.05479	27.7
92.05778	0.8
92.06279	0.7
93.07051	7.0
95.04964	4.7
97.47208	0.5
100.97550	0.6
103.05460	11.2
104.04992	1.0
105.03392	1.7
105.04540	1.3
105.07026	100.0
106.06650	0.9
106.07339	5.0
107.08584	1.6
115.05446	8.7
116.06250	1.9
117.07005	9.1
118.04145	1.8
118.07804	11.2
124.39118	0.5
131.08562	9.6
133.02846	1.9
133.05258	1.5
133.06494	15.8
133.10123	99.4
134.05995	1.3
134.07011	1.1
134.10457	6.1
138.78029	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.1012
Annotation	alpha,4-Dimethylstyrene
Peak:m/z	Relative Intensity
53.03938	1.5
55.05505	2.7
56.62211	0.3
65.03932	0.8
67.05492	1.0
67.17830	0.3
69.73171	1.6
77.03920	0.9
79.05485	11.4
89.18963	0.3
91.05474	25.2
92.05790	0.6
92.06292	0.4
93.06481	0.5
93.07037	6.2
95.04964	2.5
103.05461	6.4
104.06276	0.4
105.04536	0.9
105.07023	75.6
106.07340	2.8
107.08576	1.8
115.05449	8.0
116.06296	1.5
117.07011	9.3
118.07813	9.4
119.08111	0.7
129.06999	0.7
131.08559	8.3
132.09129	0.3
133.02843	0.6
133.06529	3.8
133.10120	100.0
134.06012	0.7
134.07011	0.6
134.10452	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	134.0449
Annotation	Unknow
Peak:m/z	Relative Intensity
51.50670	2.8
53.03936	3.3
55.01876	13.8
56.05016	5.3
56.96558	7.0
57.03437	39.1
58.06596	7.2
58.99860	7.2
61.02918	2.6
68.02633	4.3
69.03427	15.4
69.19221	21.0
69.19627	9.2
70.06590	15.0
70.99860	4.4
71.04967	3.2
72.08142	11.9
73.02908	56.4
74.02428	18.2
74.06081	3.7
75.01881	2.3
76.07637	5.1
77.00903	5.6
78.52955	3.6
79.02132	3.6
81.03411	5.8
82.01431	9.1
82.99825	3.0
84.52936	5.3
85.02893	14.6
86.52679	8.0
88.02670	30.7
88.03983	10.7
88.07621	31.7
88.52763	4.2
89.00886	3.4
90.09214	13.0
93.01896	12.1
93.02847	3.4
93.51908	2.9
93.53468	9.4
95.01925	2.9
97.02879	4.8
98.06048	3.0
98.21559	4.1
99.04441	3.6
99.53450	6.6
100.02475	34.1
101.00865	33.1
101.02508	5.9
102.02396	32.1
102.52473	4.7
103.02390	6.2
104.52707	3.8
105.00382	2.9
107.04930	4.8
109.02866	4.4
111.02917	29.9
111.52973	5.1
113.00862	8.1
113.53198	3.8
118.03515	20.9
119.01917	100.0
120.01998	10.9
120.03416	9.2
121.01642	6.2
122.53754	6.5
124.02434	17.9
124.36916	2.5
128.01981	3.3
129.03946	4.2
131.01901	38.7
132.02045	7.5
133.01642	3.3
133.03381	4.7
134.05951	3.8
134.08109	3.1
134.11760	26.6
135.04388	3.6
137.02965	17.7
141.02635	2.4
142.03488	95.9
143.03618	11.5
144.03210	7.0
145.03481	5.8
147.01398	3.6
147.05028	5.0
149.02957	5.8
154.03502	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	124.0244
Annotation	Unknow
Peak:m/z	Relative Intensity
58.99850	0.4
60.51694	0.2
61.43213	0.2
69.00095	0.2
70.73190	0.3
70.73537	0.4
82.01466	0.2
82.99820	1.2
83.01524	0.7
100.02478	1.4
101.00867	15.2
101.02536	3.2
102.00961	0.5
102.02201	1.1
106.19837	0.2
107.29987	0.2
118.03510	1.1
119.01908	100.0
120.01975	3.9
120.03271	0.6
121.02340	0.4
124.02466	0.4
137.02940	41.6
138.03018	1.9
139.03368	0.2
142.03484	5.9
143.03584	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	130.159
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	0.5
55.05497	1.9
55.59147	0.4
56.01383	0.7
56.05034	4.9
56.96558	3.2
57.03427	1.4
57.07070	30.1
58.05346	0.5
58.06589	0.7
59.06115	3.1
61.02918	0.5
63.32389	0.5
67.02981	0.8
67.05489	1.7
69.03423	46.1
69.07056	5.6
69.87314	3.1
70.03747	1.2
70.06583	3.0
71.04984	0.9
71.06110	0.5
72.04501	2.5
72.08146	12.2
72.79842	0.5
73.02898	0.8
73.04045	0.6
74.06062	0.6
74.09712	19.6
77.88153	0.5
82.06564	2.5
83.02474	1.0
84.04498	29.8
84.08137	29.6
85.02878	1.6
85.04023	0.7
85.04822	1.2
85.07656	3.8
85.08470	1.2
86.06066	1.9
87.09213	1.5
88.07627	0.5
90.04284	0.7
91.05476	3.3
94.06564	1.1
95.04929	0.9
96.01485	0.5
97.02896	0.6
98.04800	0.8
98.21405	0.9
98.97569	1.8
103.05460	12.6
112.05054	1.5
112.07593	100.0
113.07128	2.7
113.07935	5.1
113.10798	0.6
116.06210	0.9
116.98621	1.4
117.34148	0.5
119.01804	0.9
121.38172	0.5
129.06908	0.8
130.02162	1.1
130.04939	1.4
130.06532	15.0
130.08623	19.7
130.09616	1.0
130.15904	33.4
131.04916	1.7
131.05989	0.5
131.08607	2.2
131.16251	1.6
141.61375	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	131.0855
Annotation	Unknow
Peak:m/z	Relative Intensity
50.89370	0.7
53.03941	2.3
57.03432	1.4
65.03941	1.0
69.03417	2.1
70.03761	3.1
70.98900	1.3
70.99235	0.9
72.15650	0.6
73.02140	0.7
75.13738	0.6
84.04490	1.1
85.04830	4.3
85.08474	2.2
91.05475	100.0
92.05808	4.6
95.04938	1.0
103.05462	16.0
104.05020	0.8
104.05737	0.8
105.06998	0.8
109.06546	0.9
111.36372	0.8
113.07244	1.0
113.07931	9.4
115.05437	7.3
116.06239	22.6
117.06585	1.4
119.06089	0.8
128.06216	2.2
129.06998	16.1
130.07353	1.2
131.04912	2.1
131.08554	81.0
132.08046	1.4
132.08916	4.2
133.06487	1.3
143.06078	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	131.0855
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02389	0.6
53.03939	1.7
57.03431	1.4
65.03909	1.5
69.03432	1.7
70.03761	2.3
71.52582	1.0
79.19270	0.6
79.53242	0.7
85.02886	0.7
85.04832	3.3
85.08469	1.6
85.84839	0.6
86.09697	0.9
91.05473	100.0
92.05782	3.9
93.87823	0.7
95.04946	0.8
103.05451	9.4
104.05796	0.9
105.40709	0.7
113.07913	6.2
115.05444	7.6
116.06232	25.1
117.06533	1.2
128.06219	1.4
129.06992	16.2
130.07256	1.7
131.04895	1.9
131.06912	1.9
131.08551	80.0
132.06537	1.1
132.08032	1.9
132.08900	6.0
133.06480	1.3
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
52.28915	0.4
53.03941	3.7
56.05035	0.9
56.96556	2.1
57.03425	1.1
58.06583	0.9
60.01006	0.5
60.04544	0.7
65.03930	1.6
66.23629	0.5
69.03413	1.1
70.03756	1.3
70.98835	1.1
72.04512	0.8
72.08146	1.5
79.05497	1.7
83.02457	0.4
85.02901	0.7
85.04817	1.0
85.08473	0.8
86.06068	0.6
86.09674	1.0
87.05592	0.7
91.05472	100.0
92.05800	4.3
95.04969	1.7
96.32489	0.5
98.04789	0.7
98.97578	0.9
103.05457	15.0
105.07014	3.1
113.07922	4.6
115.05444	19.1
116.06232	41.5
117.06496	2.5
128.06216	4.7
129.07004	11.6
130.07748	0.6
131.04910	2.0
131.08549	54.5
132.04410	0.7
132.06534	0.7
132.08032	0.8
132.08911	3.4
133.06425	0.7
145.06447	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.1169
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	8.4
54.03453	2.8
55.01870	1.0
55.05508	5.9
56.05033	3.3
57.07067	5.9
65.03931	2.0
67.04242	0.6
67.05497	22.0
68.05021	2.8
69.04547	1.2
69.07057	2.0
69.31178	1.4
69.31568	5.7
70.06577	1.2
77.00944	0.8
77.03937	0.9
78.03441	1.1
79.05483	19.6
80.05010	25.3
81.03403	1.7
81.04535	3.5
81.07047	100.0
82.01439	2.5
82.04841	0.9
82.05311	1.2
82.06592	0.6
82.07388	2.5
83.05653	1.1
83.06097	4.0
84.03205	0.7
93.07056	3.0
95.04958	44.8
95.05975	1.2
95.08597	16.9
96.03905	1.3
96.04485	14.2
96.05167	1.0
97.07639	5.1
100.02467	24.8
101.00843	1.0
101.02573	2.3
105.04523	2.9
105.06992	1.2
106.02888	0.8
107.06046	4.6
108.05737	1.7
112.03949	11.4
118.03506	27.6
119.01915	11.2
119.03617	1.7
121.10130	0.7
123.04428	10.0
123.05540	45.3
123.06623	2.0
123.07390	2.3
123.08191	7.8
123.09136	1.5
123.11694	21.6
124.03938	34.2
124.05876	1.6
124.07587	2.5
124.08694	9.2
124.11996	0.8
129.05319	0.6
137.02946	8.7
140.03398	5.4
141.05061	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	124.0244
Annotation	Unknow
Peak:m/z	Relative Intensity
54.67384	0.2
55.01871	0.2
56.96553	0.5
57.03436	0.2
58.06546	0.2
58.99858	2.3
59.99967	0.2
62.03815	0.2
69.03416	0.5
70.03695	0.6
70.04083	0.3
70.99848	2.7
71.06945	0.2
71.19268	0.2
73.02918	0.2
74.90610	0.2
75.25113	0.2
77.00903	2.5
79.00644	0.2
80.05022	0.2
82.01401	0.4
82.99828	1.4
83.01502	1.0
84.01180	0.7
85.02890	0.3
88.22149	0.2
89.00874	1.6
91.02243	0.2
93.14459	0.2
94.01757	0.2
94.48458	0.2
95.01944	0.9
96.04488	0.3
97.02869	0.3
100.02463	2.1
101.00871	21.8
101.02542	5.2
102.00948	1.1
102.02224	3.5
102.02869	0.4
103.00620	0.4
107.01911	0.3
109.02850	0.2
112.02799	0.3
118.03534	1.7
119.01908	100.0
119.03654	3.5
120.01991	5.1
120.03211	1.7
121.01620	1.0
121.02370	0.4
121.03259	0.2
124.02453	0.5
124.03944	1.6
131.01912	0.3
133.01588	0.9
133.03409	0.4
135.03195	0.2
137.02942	36.1
138.03032	1.9
142.03481	6.1
142.05180	0.2
143.03638	0.5
144.03233	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	124.0245
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96552	0.4
58.99848	0.4
60.00645	0.2
70.99849	0.4
71.22321	0.4
77.00883	0.3
80.05012	0.2
82.01421	0.3
82.99808	0.9
83.01499	0.5
83.06078	0.2
84.01143	0.2
89.00873	0.3
94.27068	0.1
95.01870	0.2
97.07623	0.2
100.02470	1.1
101.00865	20.1
101.02538	1.6
102.00939	0.7
102.02209	1.0
107.06071	0.2
112.03984	0.1
118.03488	0.8
119.01903	100.0
120.01981	5.6
120.03268	0.6
121.02332	0.4
124.02480	0.5
124.03929	0.4
124.08637	0.1
137.02934	42.5
138.03027	2.5
139.03345	0.3
142.03479	5.6
143.03590	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.0442
Annotation	Benzoate
Peak:m/z	Relative Intensity
51.02370	1.8
52.64847	0.4
53.03941	12.6
54.03467	2.7
54.49555	0.4
54.89284	0.5
55.01861	1.5
55.05509	2.8
55.37112	0.6
56.05030	2.3
57.07080	1.1
65.03925	1.6
66.03453	0.5
67.04214	0.6
67.05499	10.8
68.05025	4.4
69.04534	0.6
69.07063	0.9
70.06587	1.3
71.52303	0.5
71.52699	0.5
77.03926	2.8
78.03461	0.7
79.05486	100.0
80.05012	16.5
80.05769	3.1
81.03406	2.1
81.04541	4.3
81.05394	0.4
81.07048	25.7
82.01451	1.5
82.05315	1.1
82.06580	1.3
83.05644	0.8
83.06100	5.8
91.05502	0.6
93.07037	1.2
95.01303	0.9
95.04961	57.2
95.06070	1.8
95.08597	7.8
96.04488	9.0
96.05241	1.0
97.07642	4.6
100.02476	12.3
101.00888	0.7
101.02557	0.6
105.03386	17.8
105.04475	6.4
105.07034	1.4
106.02905	0.8
107.04984	0.7
107.06057	3.9
108.05731	3.5
112.03953	4.0
118.03509	10.1
119.01901	4.0
123.00877	0.6
123.04438	16.6
123.05553	28.5
123.06604	1.0
123.07460	1.7
123.08071	8.0
123.09190	2.4
123.09979	0.7
123.11692	4.0
124.03938	15.5
124.04847	0.9
124.05890	0.5
124.07597	1.6
124.08705	8.9
137.02986	2.3
140.03352	2.2
141.05135	0.5
142.03519	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	121.0649
Annotation	Phenylacetaldehyde
Peak:m/z	Relative Intensity
50.47158	0.7
51.02367	3.5
53.03941	33.1
54.03470	5.4
55.01868	4.2
55.05487	1.1
56.96550	1.6
65.03932	8.4
66.80994	0.9
67.02966	1.4
67.05476	1.5
68.05012	2.7
69.03391	0.9
70.76720	1.7
73.88564	0.8
77.03910	5.5
78.04671	1.6
79.05489	9.6
80.04989	1.2
81.03419	4.6
81.04529	8.7
81.05780	1.4
82.05318	11.8
88.16098	0.8
90.53535	0.7
91.05473	99.9
92.05795	3.0
93.07034	100.0
94.04130	1.0
94.06546	2.7
94.07378	2.5
95.04958	58.0
95.06007	7.8
96.05289	1.4
96.85534	0.7
98.46046	0.8
103.05457	28.6
103.55553	0.7
104.05775	1.6
105.03403	1.8
105.04507	14.9
105.07022	12.8
106.40569	0.8
107.07279	1.2
111.04436	1.9
112.04060	0.9
116.06319	0.8
119.08553	2.0
120.05594	1.1
121.02880	6.7
121.03989	3.0
121.06496	45.7
121.07576	2.5
121.08380	1.8
121.10120	6.2
122.06046	2.3
122.07145	33.9
122.09642	1.1
123.08066	1.7
133.07445	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	121.0649
Annotation	Phenylacetaldehyde
Peak:m/z	Relative Intensity
51.02374	2.4
53.03942	15.7
54.03463	5.1
55.01859	2.1
55.05511	1.3
56.96548	0.9
60.24876	0.5
61.15459	0.5
61.30070	0.5
65.03938	6.9
67.05491	1.8
68.05031	0.9
68.69098	0.5
70.06565	0.8
70.83837	1.1
70.84212	0.8
77.03920	3.2
78.04698	1.6
79.05484	11.3
80.05013	0.9
81.03423	6.0
81.04536	9.2
81.05807	0.7
81.07028	0.7
81.50834	0.6
82.05318	8.8
91.05476	46.8
92.05799	2.1
93.04491	0.6
93.07039	31.5
94.06557	4.0
94.07359	1.0
95.04963	27.7
95.06044	4.1
96.05293	0.6
98.97524	0.7
103.05454	12.6
104.04986	0.5
104.05792	1.7
105.04508	7.4
105.07022	17.2
106.07785	1.0
107.04906	0.5
107.07327	1.7
108.17562	0.5
111.04449	1.9
119.08579	2.4
120.05593	0.6
121.02885	6.0
121.03987	2.5
121.06496	100.0
121.10129	10.4
122.06065	1.3
122.07146	31.2
122.09653	2.5
123.08063	2.0
133.07747	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	121.1013
Annotation	2-Ethyltoluene
Peak:m/z	Relative Intensity
50.01585	0.8
50.37004	0.6
51.02363	2.8
53.03942	17.8
54.03465	11.4
55.01865	3.9
55.05505	5.1
56.96543	1.5
58.02947	1.5
59.60905	0.8
65.03933	28.1
66.04290	0.9
67.02972	0.9
67.05492	3.7
67.64014	0.7
68.05007	2.0
68.99767	0.9
70.06571	2.8
70.51126	2.8
77.03915	3.4
78.04716	2.1
79.01868	0.9
79.05483	47.5
80.05006	1.1
80.05816	1.3
80.06251	0.8
81.03436	4.9
81.04529	26.2
81.05783	1.4
81.07046	2.9
82.05315	23.1
83.32894	0.7
91.05470	68.1
92.05795	2.8
93.03388	1.6
93.07032	66.5
94.06561	4.0
94.07353	3.0
95.04957	35.0
95.06048	10.8
96.05269	1.0
98.94083	0.8
103.05454	26.0
104.05803	2.4
105.03408	0.8
105.04507	12.8
105.07018	83.2
106.07878	7.1
107.04881	1.5
107.07345	3.3
111.04420	12.2
112.03951	0.9
119.08569	13.4
119.37112	0.8
120.05591	1.4
121.02857	32.6
121.03971	14.7
121.06491	90.2
121.08386	2.3
121.10128	38.6
122.03231	1.8
122.07138	100.0
122.09638	5.2
122.10465	1.7
123.08052	9.6
133.07608	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	123.0405
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03425	0.4
58.99835	1.9
67.78452	0.2
69.03412	0.3
70.72607	0.5
70.72975	0.4
70.99825	0.2
75.22572	0.2
77.00870	1.1
80.04985	0.4
81.03419	0.3
82.01436	20.6
82.99818	1.3
83.01518	0.9
88.02666	0.4
89.00919	0.2
89.51564	0.3
95.04961	0.3
100.02474	100.0
101.00873	15.3
101.02543	4.9
102.02890	0.4
118.03514	62.4
119.01910	90.9
119.03651	3.1
120.03939	0.4
123.04037	2.3
123.05476	0.2
124.02441	0.7
126.37627	0.2
131.01863	0.4
136.04552	1.2
137.02943	39.2
138.00041	0.4
138.49860	0.6
139.00116	0.2
139.03410	0.2
141.05045	1.6
142.03485	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	123.0405
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.9
55.01864	4.3
57.03193	0.6
57.03430	7.1
58.99852	5.1
61.02923	5.7
65.52181	1.1
67.05505	0.7
68.02640	1.2
69.03429	6.8
70.99846	3.5
71.04995	0.6
71.47836	1.3
72.52990	1.2
73.02914	5.4
73.63900	0.6
75.01910	0.8
76.02711	0.6
77.00907	5.0
78.52968	3.3
79.02207	0.8
79.51920	0.8
80.04993	1.4
81.01902	3.1
81.03397	3.0
81.23721	0.6
82.01435	19.1
82.99843	1.8
83.01516	0.9
84.52969	1.2
85.02899	4.9
85.51926	0.8
85.53724	1.0
86.52664	1.7
87.01859	0.7
87.53457	0.8
88.02672	6.6
88.52763	0.6
89.00889	2.3
90.02416	1.9
90.52995	0.8
91.03108	0.7
92.52683	1.0
93.01885	2.7
93.53448	1.6
94.52436	1.0
95.01920	1.6
95.04951	1.0
96.02434	0.8
96.04469	0.7
97.02834	5.2
98.03170	0.7
98.52664	1.8
99.04520	0.7
99.53474	1.6
100.02475	100.0
101.00189	1.4
101.00873	26.3
101.02534	5.5
102.00957	0.9
102.02355	4.7
102.52522	1.4
103.00642	1.2
103.02310	1.7
104.52780	0.6
105.00347	0.8
109.02863	2.2
111.02934	4.9
111.53014	1.5
113.00854	2.2
114.00957	0.8
115.02401	2.8
118.01134	2.0
118.02282	1.0
118.03513	62.2
119.01913	90.0
119.03635	3.1
120.01999	2.9
120.03376	2.4
121.01650	3.0
121.03482	0.8
123.04043	2.7
123.05494	3.1
124.02451	2.3
124.03943	1.4
127.02419	0.9
127.03898	1.1
131.01898	13.3
132.02010	2.0
133.01607	1.7
133.03395	3.3
136.04553	0.8
137.02943	27.4
141.05112	1.2
142.03488	11.5
143.01857	2.3
143.03590	1.4
144.02086	0.7
144.03204	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.0405
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	0.8
55.01866	1.4
57.03438	2.9
58.99850	2.5
60.74389	0.4
61.02917	1.3
67.05500	0.5
68.02642	0.5
68.26089	0.5
69.03419	2.2
69.23097	5.1
70.99850	1.8
73.02916	1.9
77.00897	1.9
78.52988	1.1
80.05006	1.2
81.01897	0.5
81.03399	1.2
82.01436	14.8
82.99806	0.7
83.01523	0.9
85.02901	1.5
86.52689	0.5
88.02668	2.1
89.00912	0.9
90.02414	0.9
90.11354	0.4
93.01897	1.0
93.53456	0.6
95.01955	0.7
95.04978	3.9
97.02911	1.9
100.02476	81.5
101.00867	19.5
101.02541	4.4
102.02316	1.7
103.02389	0.5
107.53162	0.6
109.02859	0.9
111.02915	1.3
112.03860	0.5
113.00853	0.6
115.02438	1.3
118.01173	1.1
118.03516	50.7
119.01913	100.0
119.03602	3.0
120.02066	0.6
120.03373	1.2
121.01611	1.1
122.53751	0.4
123.04097	1.1
123.05506	2.4
124.02398	1.0
124.03919	1.0
131.01912	4.4
133.01686	0.7
133.03462	0.8
136.04506	2.4
137.02945	37.8
141.05087	1.9
142.03481	8.4
143.01903	1.3
143.03561	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	118.0652
Annotation	Indole
Peak:m/z	Relative Intensity
50.01584	2.4
50.32716	1.6
51.02378	8.9
53.03944	61.0
54.04260	2.2
55.01860	2.9
59.06119	8.9
60.04506	3.2
69.92339	5.1
69.92758	2.7
70.21524	1.5
72.08125	2.0
76.93360	10.2
77.03922	12.6
81.03400	7.2
90.99181	1.5
91.05479	18.6
94.94380	2.3
95.04958	100.0
96.05288	4.1
105.04504	27.4
106.04202	1.7
112.93372	1.6
117.05860	1.7
118.06531	95.5
119.06863	6.1
119.08560	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	118.0654
Annotation	Indole
Peak:m/z	Relative Intensity
50.98488	1.3
51.02377	7.8
53.03944	64.6
55.01864	2.0
59.06113	2.7
65.03936	1.7
68.83704	1.2
70.65005	4.6
71.87009	1.3
72.04502	1.2
76.93375	2.8
77.03930	13.0
81.03404	6.5
85.59093	1.4
91.05459	9.1
95.04962	99.5
96.05285	3.1
98.20786	1.3
105.04508	27.6
118.06533	100.0
119.06875	3.8
119.08556	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	118.0865
Annotation	L-Valine
Peak:m/z	Relative Intensity
53.03945	0.8
54.24508	0.3
55.05509	17.2
56.05030	2.6
56.05841	0.6
56.96564	4.0
57.03432	0.6
57.05818	1.6
58.06596	41.4
59.05004	1.5
59.06116	5.2
59.06909	1.2
59.07378	33.9
60.04528	2.7
60.05335	0.7
60.06455	1.3
60.07718	0.5
61.02938	0.5
65.03944	0.5
67.05505	0.6
69.03419	2.9
70.06580	2.7
71.51702	0.7
72.05650	0.4
72.08150	96.3
73.02916	0.7
73.08481	2.6
74.06073	2.3
76.03997	0.5
76.07624	1.6
77.07966	1.4
81.03413	0.5
82.01408	0.6
82.06568	2.0
83.04967	0.6
84.08088	0.6
85.02901	0.4
86.06049	0.4
87.04485	0.6
87.05580	0.7
88.07594	0.6
91.05473	3.4
94.06579	0.6
94.54247	1.3
95.04967	0.6
97.02871	0.4
98.01295	0.4
98.97582	0.6
100.02489	3.6
100.07616	3.1
101.07958	0.9
102.02239	0.8
102.05509	0.3
103.02469	0.4
103.54800	0.4
106.05025	2.0
107.05289	0.7
112.07601	3.2
115.05579	0.5
116.05785	0.4
116.98619	1.0
118.03533	2.6
118.08647	100.0
119.01904	1.2
119.03633	0.5
119.04960	0.5
119.08238	0.4
119.08994	1.4
120.03278	0.5
121.03458	0.6
133.03479	0.4
134.99663	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0191
Annotation	Unknow
Peak:m/z	Relative Intensity
50.32542	3.5
54.09975	4.3
56.96561	7.3
59.06112	12.1
67.05492	16.8
69.03421	26.9
71.42429	5.2
78.52930	4.3
79.05489	5.8
80.02947	5.5
81.07059	5.3
82.01453	8.7
91.05489	24.4
93.53484	6.7
95.04987	4.4
98.80810	3.7
100.02492	37.2
101.00874	21.9
103.02425	20.2
104.02489	4.5
107.05271	13.9
116.05760	15.6
117.79316	4.1
118.03505	21.9
118.56143	4.5
119.01917	100.0
119.03616	5.2
120.01979	5.8
121.03495	13.2
129.04004	4.8
133.03500	4.5
137.02943	43.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0192
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01846	2.3
55.77270	1.9
56.96562	27.8
57.03447	2.5
59.06107	6.1
60.04496	5.0
65.03928	3.8
67.01888	1.9
67.05505	2.8
69.03412	6.6
69.90916	10.6
73.02896	4.0
79.05482	3.3
83.00784	3.6
91.05473	30.7
98.21426	3.1
98.97571	9.5
100.02489	13.7
100.97180	2.5
101.00871	21.5
116.98601	7.3
118.03504	6.5
119.01038	4.8
119.01907	100.0
119.04961	5.4
120.01969	4.7
121.03480	2.5
134.36211	2.1
137.02948	43.3
138.03075	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	121.0286
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	3.0
54.03463	5.1
55.01868	2.7
55.05507	1.2
56.96546	0.7
57.54587	0.6
65.03937	80.1
66.04278	2.3
67.02987	1.1
67.05492	1.1
68.05017	2.2
68.99793	0.7
70.06599	1.0
70.35174	1.2
70.35524	1.8
79.01845	0.6
79.05482	8.3
80.05003	1.0
81.04535	10.0
81.05799	0.8
82.05321	10.6
91.05475	8.4
93.03397	13.6
93.07043	9.5
94.06561	3.0
95.04958	4.9
95.06063	6.4
96.73782	0.6
98.03648	3.2
103.05462	5.3
104.05794	0.7
105.04527	2.4
105.07024	9.1
106.07799	1.0
107.07355	1.7
111.04433	14.3
112.04801	0.6
119.08581	1.4
120.05637	0.7
121.02881	100.0
121.03978	18.3
121.06508	6.1
121.07624	2.7
121.08402	0.9
121.10127	5.4
122.03166	3.6
122.06182	1.6
122.07143	38.2
122.09656	2.1
123.08073	1.1
124.58485	0.5
133.07588	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	121.065
Annotation	Phenylacetaldehyde
Peak:m/z	Relative Intensity
50.36876	0.5
51.02151	0.4
51.02365	2.6
52.07511	0.5
53.03943	21.7
54.03465	3.6
54.04277	0.6
55.01872	2.6
56.96560	12.6
57.03415	1.6
60.04512	1.4
60.92527	0.5
65.03934	7.0
67.02962	0.9
67.05487	1.1
68.05025	2.5
69.03422	1.5
70.55387	1.9
71.95242	0.8
73.02889	1.4
74.00285	0.6
77.00763	0.9
77.03922	3.8
78.04700	0.8
79.05489	3.6
80.05006	0.9
81.03400	2.9
81.04528	6.7
81.04979	0.8
81.05792	0.9
82.04849	0.9
82.05318	10.9
83.00771	2.2
84.70763	0.6
84.96006	0.9
85.02896	0.9
89.00758	0.7
90.01530	0.8
91.05473	56.6
92.01301	1.6
92.05812	2.0
93.07037	47.2
94.06538	2.7
94.07368	1.3
95.04961	39.6
95.06049	8.1
96.01534	1.0
96.05322	0.7
98.01257	0.7
98.97575	7.5
101.00818	0.6
102.04678	1.9
103.05457	100.0
104.05784	3.9
105.04506	11.3
105.07011	4.9
107.04835	0.7
107.07364	0.6
110.01284	0.8
111.04434	1.5
116.98619	4.3
118.23828	0.6
119.01801	2.0
119.08509	0.6
120.05582	0.9
121.02888	5.0
121.03985	2.2
121.06495	66.9
121.08387	1.5
121.10126	1.8
122.06048	2.0
122.07142	21.7
122.08042	0.7
122.09609	1.4
123.08012	0.7
128.02327	0.8
128.98618	1.5
134.99648	2.7
139.66699	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	107.0858
Annotation	Unknow
Peak:m/z	Relative Intensity
50.55373	0.2
51.02379	0.5
52.58472	0.2
53.03946	1.7
54.35471	0.2
55.01868	0.9
58.91933	0.2
63.02374	0.3
64.00654	0.2
65.03938	13.5
66.04285	0.3
67.04237	0.8
67.05509	2.5
71.44663	0.5
77.03922	0.4
79.05489	14.6
80.05014	2.2
80.05788	0.3
84.34734	0.2
91.05476	100.0
92.05758	1.4
92.06288	2.4
94.66524	0.2
95.04958	3.3
103.05455	0.9
105.04505	0.4
105.07027	27.9
106.04145	0.5
106.07364	0.6
107.04951	8.5
107.06039	1.5
107.08585	30.5
108.04471	0.3
108.05583	0.6
108.08138	0.4
108.08913	0.6
109.06512	14.6
117.15352	0.2
119.06059	7.3
124.05211	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1087.6167
Annotation	Unknow
Peak:m/z	Relative Intensity
79.05482	10.9
81.03429	0.8
81.07045	28.2
83.04953	0.5
83.08605	9.6
85.02895	5.6
85.06554	1.0
85.10172	10.7
85.10662	0.6
89.06013	0.9
91.03949	4.5
91.05454	4.5
93.07029	12.5
95.04969	1.0
95.08595	31.6
97.02892	3.6
97.06546	1.1
97.10147	5.5
98.98454	17.0
99.04472	0.5
99.08086	0.6
103.03947	0.5
103.07594	0.6
105.07015	4.8
105.07596	0.4
107.08575	8.6
109.02885	0.7
109.10144	15.8
111.11721	1.2
115.03896	0.5
116.99486	0.7
117.07018	1.5
119.08553	3.9
121.10120	6.7
123.08116	0.5
123.11686	7.1
125.13278	0.4
127.03887	2.3
129.05432	0.5
129.78725	0.4
131.08543	3.4
133.10112	2.5
135.11664	4.6
137.09558	0.4
137.13219	2.5
145.04942	2.7
145.10091	2.7
147.11705	2.4
149.09673	0.6
149.13258	2.7
151.14801	0.7
155.01033	3.9
159.11711	1.8
161.13246	2.3
163.05995	4.0
163.14804	2.4
165.12756	0.4
173.02087	4.6
173.13261	1.7
175.14825	1.1
177.16469	0.6
179.14346	0.4
183.06523	0.6
187.14943	0.5
201.16383	0.5
221.22581	0.8
223.60213	0.4
233.22534	0.6
239.23659	17.4
243.21046	5.3
257.24777	3.6
261.22098	16.8
298.27444	0.9
313.27322	100.0
314.27603	1.6
315.00821	0.4
317.24710	1.6
331.28375	33.1
335.25754	61.9
336.19238	0.4
336.26129	1.7
415.22269	1.8
433.23361	1.2
439.30209	0.5
457.31497	2.4
475.32635	7.8
497.30853	0.8
637.38232	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	109.0651
Annotation	4-Cresol
Peak:m/z	Relative Intensity
50.01590	0.6
51.02369	2.1
53.00302	0.9
53.03941	28.5
54.03460	0.4
54.04270	0.9
55.01678	0.3
55.01872	3.6
55.05505	4.3
56.05016	0.8
59.13749	0.5
65.03934	20.0
66.04707	1.5
67.02979	1.0
67.04230	2.0
67.05499	40.5
68.05021	13.9
68.05824	0.7
68.95271	0.5
69.03423	0.5
69.04544	2.3
69.05745	0.6
69.07062	2.2
69.60479	0.4
71.52393	0.8
79.05486	23.4
80.05009	1.3
80.06261	0.5
81.03410	49.6
81.04433	1.1
81.07047	51.6
82.03734	1.2
82.05283	0.4
82.06126	0.6
82.06576	9.8
82.07330	0.7
83.06094	0.7
87.00460	1.8
88.23170	0.4
91.05472	39.5
92.05002	1.4
92.05802	1.1
93.04492	0.5
94.04176	55.0
95.04458	1.0
95.04964	1.4
98.51244	0.5
107.04945	24.3
107.08575	1.5
109.02861	9.4
109.06507	100.0
109.07610	24.2
109.10143	18.2
110.06077	6.0
110.07185	6.9
111.04429	5.1
113.96420	0.7
119.06030	2.9
121.03974	2.6
122.55911	0.5
124.05263	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	107.0859
Annotation	Ethylbenzene
Peak:m/z	Relative Intensity
51.02380	0.7
51.02598	0.2
52.76696	0.2
53.03942	3.8
54.03460	0.2
55.01865	0.9
55.05524	0.2
65.03935	14.6
66.03458	0.6
66.04286	0.3
66.80396	0.3
67.04236	2.9
67.05496	3.1
69.25823	0.2
69.59029	1.8
74.39799	0.2
77.03922	0.6
79.05486	19.0
80.05009	8.2
80.05761	0.4
91.05472	100.0
92.05748	1.9
92.06302	2.6
93.05770	0.3
95.04964	5.7
103.05466	0.5
105.04507	1.3
105.07023	28.2
106.04124	0.3
106.06597	0.5
106.07359	0.7
107.04946	15.6
107.06055	4.1
107.08582	27.6
108.04484	1.5
108.05605	1.9
108.08106	1.3
108.08844	0.5
109.06506	13.9
119.06057	5.7
124.05198	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	107.0859
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	1.7
55.01853	0.7
65.03935	13.5
65.22406	0.3
67.04244	0.8
67.05495	2.3
69.70099	2.6
77.03933	0.5
79.05489	17.4
80.05022	2.1
80.05805	0.5
81.63585	0.4
91.05475	100.0
92.05782	1.3
92.06264	2.7
95.04955	2.6
103.05472	0.5
105.04507	0.7
105.07026	27.2
106.04160	0.7
107.04956	5.9
107.06068	1.4
107.08585	29.3
108.04451	0.6
108.08170	0.5
108.08901	0.7
109.06512	15.4
119.06058	6.4
124.05197	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	107.0858
Annotation	Ethylbenzene
Peak:m/z	Relative Intensity
50.41584	0.3
51.02372	0.4
53.03939	4.0
53.36853	0.4
55.01867	1.2
62.34719	0.4
65.03938	14.3
66.04261	0.6
67.04237	1.3
67.05502	7.0
69.43805	2.4
69.44213	0.7
77.03908	0.5
79.05488	43.7
80.05016	4.1
80.05805	0.6
91.05473	100.0
92.05785	1.4
92.06284	3.1
95.04971	5.7
103.05460	0.7
105.04510	1.5
105.07021	26.1
106.04142	0.6
106.07329	0.6
107.04948	9.8
107.06062	2.1
107.08582	27.3
108.04492	0.8
108.05556	1.4
108.08123	0.9
108.08910	0.7
109.06510	14.2
114.20792	0.4
119.06054	7.1
124.05228	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	107.0858
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	3.2
53.20738	0.3
55.01880	0.8
57.39738	0.5
59.87881	0.3
62.68995	0.4
65.03939	14.4
67.04244	2.1
67.05500	2.5
69.19930	1.2
69.20349	2.7
69.97039	0.3
77.03948	0.5
79.05492	17.2
80.05016	5.2
91.05477	100.0
92.05759	1.8
92.06292	2.6
93.05776	0.4
95.04953	4.4
105.04532	1.0
105.07030	27.5
106.04213	0.5
106.07364	0.8
107.04214	0.6
107.04955	16.9
107.06040	2.9
107.08589	28.7
108.04501	0.9
108.05585	1.4
108.08125	1.2
108.08931	0.7
109.06512	15.2
110.41465	0.4
119.06067	6.1
124.05220	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	105.0702
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01594	2.0
51.02379	7.0
53.03939	62.1
54.04279	1.3
55.01872	2.9
58.99578	0.9
61.01143	3.8
65.03912	1.6
71.07866	1.5
77.03918	11.3
79.05481	28.2
81.03411	6.3
87.02679	0.5
95.04954	100.0
96.05286	1.8
103.05454	18.3
105.03372	44.6
105.04495	29.2
105.07013	52.9
105.11063	1.7
106.03723	1.3
106.04839	0.7
106.07351	0.8
118.06501	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	105.0702
Annotation	Bicyclo[4.2.0]octa-1,3,5-triene
Peak:m/z	Relative Intensity
50.01576	0.8
51.02380	3.3
53.03943	18.7
55.01860	1.3
60.04529	0.9
63.45185	0.6
65.03933	2.1
77.03915	4.1
77.25612	0.5
79.05489	52.5
80.05859	0.8
81.03411	2.3
83.70371	0.5
95.04960	32.3
103.05465	34.0
104.90816	0.7
105.03419	5.0
105.04523	10.9
105.07024	100.0
106.06616	0.7
106.07364	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	107.0495
Annotation	Aromatic aldehyde
Peak:m/z	Relative Intensity
50.01565	0.4
51.02372	1.2
53.03939	12.2
55.01863	2.7
56.96301	0.6
56.96560	8.6
64.95550	0.4
65.03920	1.7
66.03448	0.5
66.20752	0.5
67.04237	6.2
67.05489	0.5
69.70919	2.5
77.03936	1.8
79.05482	27.5
79.28778	0.4
79.85642	0.3
80.05008	10.1
80.05779	0.9
81.03399	1.7
81.04530	0.7
81.99984	0.4
91.00498	0.9
91.04900	0.7
91.05470	13.4
93.05776	0.7
95.04957	16.9
95.05569	0.8
96.04454	0.5
96.05339	0.5
98.20794	0.5
105.04504	5.6
105.07014	3.0
107.04942	100.0
107.05981	6.2
107.08583	3.5
108.04456	1.6
108.05314	1.4
108.05560	1.4
108.08109	1.0
108.12838	0.4
108.48019	0.3
109.06517	1.2
119.06050	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	107.0494
Annotation	Aromatic aldehyde
Peak:m/z	Relative Intensity
50.01577	0.4
51.02375	1.2
53.03941	9.2
54.03453	0.2
54.04281	0.3
55.01866	2.2
56.96564	0.2
65.03934	2.6
66.03447	0.6
67.02982	0.3
67.04239	7.0
67.05489	0.7
71.52435	0.3
77.03928	1.4
79.01837	0.2
79.05483	18.7
80.05007	11.0
80.05798	0.6
81.03418	1.4
81.04515	0.4
91.05470	20.2
92.03745	0.6
92.05767	0.3
92.06300	0.5
93.05785	0.4
95.04955	17.3
96.04484	0.6
96.05295	0.4
105.04500	4.8
105.07015	5.4
105.07690	0.4
106.06538	0.3
107.04942	100.0
107.05987	6.7
107.08569	5.2
108.04462	1.5
108.05317	2.2
108.08098	1.3
108.08782	0.3
109.06506	2.7
119.06062	1.2
124.05151	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	105.0338
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01590	2.7
51.02379	7.8
53.03942	59.0
55.01867	2.6
58.99559	0.5
61.01152	2.7
63.38494	0.5
65.03947	0.9
66.57422	0.4
68.99789	0.5
69.59429	0.5
69.59762	3.3
77.03924	12.6
79.05486	21.9
81.03408	6.1
86.39813	0.4
87.02706	0.6
95.04959	100.0
96.05291	1.6
103.04803	1.0
103.05460	15.0
105.03388	45.9
105.04510	28.2
105.07021	45.9
106.03722	1.0
106.07310	0.5
118.00204	0.4
118.06535	1.3
124.17596	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	105.0339
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01596	2.3
51.02379	6.1
51.85516	0.2
53.00310	0.3
53.03943	50.2
54.04289	0.7
54.77158	0.2
55.01868	3.6
57.95617	0.3
65.03944	0.3
68.99791	0.6
70.77024	0.6
77.03924	13.7
78.04268	0.3
79.05492	1.5
81.03416	6.6
95.04961	100.0
96.05291	1.6
96.44913	0.2
98.03637	0.2
103.05467	0.8
105.03391	53.1
105.04483	27.2
105.06990	2.7
106.03716	0.9
106.04849	0.5
108.02106	0.2
110.41401	0.2
118.06520	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	105.0338
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01587	2.2
51.02378	6.4
53.00296	0.2
53.03941	51.8
54.04280	0.9
55.01868	3.2
68.99776	0.4
69.75772	1.4
72.14011	0.3
77.03925	13.1
78.04256	0.3
79.05481	1.0
81.03408	6.8
95.04957	100.0
96.05280	1.5
98.21472	0.3
103.05466	0.6
105.03387	52.9
105.04479	26.7
105.06983	1.6
106.03683	1.1
106.04899	0.2
118.06527	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	105.0338
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01594	2.4
51.02379	8.6
53.03941	58.8
54.04264	0.4
54.25608	0.3
55.01871	3.2
62.88125	0.4
68.99770	0.4
70.77256	0.4
70.77608	1.3
77.03922	11.3
79.05492	3.2
81.03413	6.0
83.70907	0.4
95.04955	100.0
96.05309	1.5
100.62613	0.4
103.05427	1.8
105.03386	49.7
105.04478	26.0
105.07001	5.6
106.03674	0.9
106.04840	0.7
118.06533	0.7
118.48350	0.4
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
52.75290	0.9
55.05484	1.5
56.05037	8.1
56.96297	1.5
56.96561	20.3
57.03417	1.6
57.04557	1.4
58.06590	1.3
58.96167	7.4
59.06121	23.6
59.96168	2.1
60.04527	6.7
60.95616	0.9
60.95852	10.7
61.13972	0.9
64.43204	0.9
70.25953	3.4
70.26330	2.2
71.95256	2.0
72.08141	1.9
73.94839	1.3
74.06065	3.0
77.00800	2.2
79.01854	1.5
83.00767	3.0
83.01517	3.0
83.06088	3.3
84.04492	2.9
84.08141	1.1
86.01286	1.1
88.02354	2.3
92.01308	1.4
97.02862	1.3
98.97577	3.9
99.02435	1.2
100.02483	2.5
100.97179	3.5
100.97932	1.4
101.00883	18.9
101.02552	8.9
101.07145	5.2
102.00945	1.1
102.02238	5.0
116.98608	1.4
118.03506	1.1
118.98233	2.2
119.01916	100.0
119.03645	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	103.0546
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01587	1.1
51.02368	1.6
53.03942	23.7
53.82490	0.8
54.03454	0.8
55.01860	2.1
56.05027	14.9
56.96560	25.6
57.03430	5.9
57.04546	3.0
57.05364	14.5
58.02942	3.0
58.06314	1.0
58.06596	18.4
59.05832	1.3
59.06119	25.0
60.04520	7.5
60.08160	10.2
60.76867	0.7
60.95555	1.1
60.95847	15.6
61.02928	0.8
61.04043	1.3
61.04860	0.7
61.51899	0.6
62.06083	36.3
62.92975	1.4
68.05013	1.9
69.03426	0.9
70.29903	0.8
70.30257	2.6
72.04502	1.7
72.06885	1.3
73.07668	7.6
74.06065	2.3
75.01041	1.5
75.04462	0.8
75.05592	7.4
75.94530	2.4
77.03916	4.9
79.57008	0.8
81.03061	0.7
81.03418	7.1
83.06068	0.9
84.01556	0.8
85.02893	10.3
85.04025	1.3
85.04830	2.7
85.07661	8.6
86.02384	0.7
86.03224	0.7
86.06055	24.8
86.09698	1.8
87.04458	1.6
88.01614	0.7
88.51561	1.0
95.04957	44.9
96.05296	0.7
97.52073	0.9
98.21185	1.5
100.02447	1.2
102.04675	5.6
102.96856	2.9
103.03966	15.2
103.05456	100.0
103.08691	66.2
104.05789	2.0
104.07072	1.0
104.10728	17.5
105.04494	13.1
109.00452	0.7
109.02882	5.9
118.03517	1.1
120.97893	4.8
121.01624	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	104.1074
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06591	5.1
59.07372	1.5
60.08156	49.0
61.08493	0.4
62.30760	0.1
62.85445	0.1
69.03417	0.3
69.71824	0.5
69.87051	0.1
70.45080	0.1
86.06046	0.1
86.09696	0.2
87.04454	0.7
98.21503	0.1
104.10728	100.0
105.11046	1.3
119.01865	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	101.0088
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05032	16.1
56.96552	8.4
57.04563	2.7
58.96152	3.7
59.06120	29.7
59.99938	2.9
60.04514	6.1
60.95847	4.9
65.57216	2.8
70.65953	3.1
70.66275	4.5
72.08150	2.5
76.35647	2.3
79.72951	2.3
82.01448	4.1
83.01508	14.6
84.01165	3.5
84.04520	2.5
86.42794	2.0
90.14496	2.3
100.02454	8.5
101.00892	26.7
101.02528	38.3
101.07125	7.9
101.97203	2.4
102.02226	17.0
109.02966	2.5
118.03501	3.3
119.01057	5.1
119.01913	100.0
119.03622	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	101.0088
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05032	16.1
56.96552	8.4
57.04563	2.7
58.96152	3.7
59.06120	29.7
59.99938	2.9
60.04514	6.1
60.95847	4.9
65.57216	2.8
70.65953	3.1
70.66275	4.5
72.08150	2.5
76.35647	2.3
79.72951	2.3
82.01448	4.1
83.01508	14.6
84.01165	3.5
84.04520	2.5
86.42794	2.0
90.14496	2.3
100.02454	8.5
101.00892	26.7
101.02528	38.3
101.07125	7.9
101.97203	2.4
102.02226	17.0
109.02966	2.5
118.03501	3.3
119.01057	5.1
119.01913	100.0
119.03622	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	101.0088
Annotation	Unknow
Peak:m/z	Relative Intensity
50.57810	0.9
55.01871	1.0
55.05494	3.4
56.05029	10.1
56.38923	0.8
56.96560	32.9
57.03421	2.1
57.04551	1.9
58.06586	1.1
58.96163	8.3
58.99840	1.1
59.05830	1.4
59.06120	24.7
59.96171	3.4
59.99926	1.1
60.04523	4.3
60.95848	13.6
68.00246	0.8
68.02644	0.9
70.88592	2.5
71.95254	2.1
72.08133	1.5
73.02937	1.3
73.94851	1.3
74.06067	2.1
75.01051	0.9
76.02702	0.8
76.24824	0.9
77.00842	1.0
79.01858	1.3
82.01439	1.5
82.99824	1.3
83.00757	3.4
83.01530	2.4
83.04947	1.4
83.06084	3.0
84.01149	1.2
84.04501	3.2
85.02887	1.3
88.02348	2.1
88.51556	1.0
89.00832	1.0
92.01247	1.6
97.02875	1.4
97.20789	0.8
98.97566	4.1
99.02449	1.7
100.02470	3.6
100.97165	3.3
100.97981	1.8
101.00873	19.2
101.02547	13.0
101.07114	4.8
102.00910	1.2
102.02222	4.2
105.06487	0.9
110.97523	1.6
116.98641	1.7
118.03486	1.6
118.98209	2.8
118.99026	1.7
119.01909	100.0
119.03596	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	323.0984
Annotation	Unknow
Peak:m/z	Relative Intensity
53.01524	1.7
55.01736	3.4
57.03311	4.5
58.00461	5.1
59.01250	100.0
69.03336	8.0
69.31344	7.6
69.31771	5.6
71.01253	99.6
72.01571	2.4
72.99181	5.6
73.02825	12.8
75.00817	1.9
81.03326	4.8
83.01263	7.3
85.02824	28.9
85.03302	3.1
87.00760	6.1
89.02315	66.8
95.01269	7.0
97.02829	9.3
97.10407	1.8
99.00772	4.0
101.02325	56.6
111.00766	2.1
111.04481	1.7
113.02343	28.0
114.80984	1.7
119.03395	28.3
125.02334	22.2
126.21031	1.7
131.03380	5.5
143.03406	8.2
149.04420	1.8
159.02997	1.8
161.04390	8.3
161.48183	2.0
162.66206	2.0
179.05486	3.4
221.06653	7.5
238.47685	1.6
245.06624	2.5
263.07843	2.2
323.09894	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	323.0986
Annotation	Unknow
Peak:m/z	Relative Intensity
50.94840	2.6
55.01468	2.7
57.03321	5.1
59.01255	73.6
68.59959	2.8
69.03330	10.8
70.88175	5.1
71.01261	95.5
71.05633	3.0
72.99180	6.7
73.02824	39.0
75.25725	2.5
81.03342	3.4
83.01269	6.6
85.02829	30.0
87.00751	7.4
89.02328	42.0
95.01261	6.1
97.02847	8.4
99.00766	7.9
101.02325	100.0
101.31740	3.5
102.02670	3.4
113.02341	22.1
115.03917	3.3
116.22862	2.7
119.03376	13.9
120.15169	2.5
120.77206	2.6
125.02326	17.9
126.96184	2.9
131.03386	6.5
143.03427	4.8
146.66115	2.8
161.04478	13.2
179.05537	5.5
211.28477	3.1
221.06633	11.4
323.09964	4.1
347.49319	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	323.1863
Annotation	Marrulanic acid
Peak:m/z	Relative Intensity
50.29578	2.3
57.03310	5.1
59.01250	43.7
61.29311	2.6
62.12648	2.4
69.03308	3.9
69.64229	14.0
71.01248	17.6
71.04889	7.6
80.02536	2.5
81.03342	4.1
83.04906	7.0
85.02805	8.9
87.00723	2.7
89.02307	9.9
95.01239	4.1
95.04890	4.1
97.06454	5.3
98.20652	2.3
101.02317	8.9
102.66581	2.7
104.39786	2.2
106.86021	2.5
107.04911	15.8
109.06454	4.0
113.02342	13.5
115.07514	5.4
121.02866	3.5
121.10100	3.0
123.08050	4.4
125.02309	5.6
125.05991	4.7
125.09646	14.0
133.02884	2.5
135.08040	6.8
137.09612	9.0
151.11191	3.5
153.09097	17.9
154.60162	2.3
161.04494	6.7
163.11192	9.0
165.12787	3.1
171.10149	11.2
176.08307	2.8
179.03627	2.4
185.11743	8.1
197.11743	16.7
207.10194	12.6
209.11766	100.0
210.12090	7.3
217.15826	3.3
225.11263	10.0
241.08694	2.3
261.18454	5.7
277.18237	2.9
279.19785	4.2
287.16522	10.8
291.19681	19.9
305.17648	89.8
305.21207	15.0
306.17859	8.6
310.59360	2.5
323.09811	5.1
323.18567	15.3
323.22253	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	323.1862
Annotation	Unknow
Peak:m/z	Relative Intensity
52.24965	3.9
57.03317	4.3
59.01249	66.7
67.26177	3.6
67.40891	4.0
68.13354	4.0
71.01248	21.1
71.04932	4.1
71.52607	5.1
73.02823	4.8
83.04875	8.0
85.02824	18.4
87.00753	4.7
89.02313	12.7
95.04903	8.3
101.02328	12.6
106.72147	4.6
107.04895	17.4
109.06469	3.9
111.08038	4.7
113.02340	22.8
121.02809	4.6
121.58765	5.0
125.02374	4.7
125.05954	7.1
125.09571	7.4
135.08047	5.2
153.09099	18.4
156.86478	4.0
161.04509	9.4
163.11108	8.4
171.10220	5.7
176.08273	7.3
178.09743	4.6
197.11737	15.9
207.10240	10.6
209.11766	99.6
210.12004	5.1
225.11317	7.2
249.06895	4.6
261.18533	6.5
261.43475	4.2
279.19476	5.7
287.16470	16.2
291.19650	7.2
305.17618	100.0
306.17938	9.0
308.06152	4.2
323.09808	18.6
323.18561	19.5
323.22247	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	323.2226
Annotation	Unknow
Peak:m/z	Relative Intensity
55.49487	1.3
59.01245	9.0
61.76948	1.0
69.03313	1.2
70.39410	3.7
71.01265	3.2
85.02813	2.3
89.02330	2.5
89.82928	1.3
95.01234	1.2
98.19827	1.5
101.02366	1.7
113.02332	4.1
119.03404	1.2
123.07981	1.5
125.09593	3.5
161.04550	1.3
163.11145	3.8
165.09059	3.2
169.32260	1.1
177.12749	1.6
181.12149	1.7
195.13737	2.4
197.11798	2.2
221.11786	6.1
225.77591	1.2
239.12785	3.2
247.20659	1.5
250.74986	1.2
253.14490	3.7
291.19687	14.8
292.20251	1.6
305.21237	28.4
306.21564	3.1
308.19946	7.4
323.22250	100.0
324.22617	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	323.2227
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03310	1.5
57.55344	0.9
59.01247	5.6
70.44871	3.1
71.01247	2.8
85.02822	1.2
85.06399	1.0
107.08553	4.3
113.02312	1.3
122.93437	0.9
125.09601	1.3
139.11205	2.1
153.12704	1.2
165.12828	2.4
181.12311	1.8
213.11273	2.7
228.76787	1.0
229.14345	1.6
239.12851	2.1
247.20599	2.9
263.20071	1.6
273.18594	2.4
291.19666	45.6
292.20013	3.6
305.20831	1.5
308.19925	7.9
309.20236	1.2
323.22266	100.0
324.22552	9.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.202
Annotation	Plakortenone
Peak:m/z	Relative Intensity
59.01245	70.0
68.17742	6.6
70.91470	8.6
71.01253	22.2
73.02806	13.9
83.01221	10.8
85.02816	14.2
89.02330	12.5
97.99570	5.9
101.02297	21.3
113.02299	10.7
121.18123	7.1
122.03668	9.0
152.85913	6.7
163.05989	12.7
167.14172	7.4
183.01149	18.6
186.71655	7.3
193.07121	45.3
249.18559	35.4
265.12836	6.9
266.78256	6.7
275.16568	19.7
281.21259	9.3
293.17612	100.0
307.19244	11.2
325.11307	30.1
325.19946	72.6
325.23862	21.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.202
Annotation	Unknow
Peak:m/z	Relative Intensity
55.30683	0.8
57.03337	1.7
57.53441	0.7
59.01249	8.5
68.12180	0.9
69.03309	1.0
70.68069	2.0
71.01254	4.0
71.04887	2.6
73.02805	1.3
74.11832	0.8
80.02539	2.5
81.03326	2.0
83.04897	8.1
84.02040	5.4
85.02808	1.3
95.04900	2.5
97.06485	1.1
99.08052	2.1
101.02335	2.3
110.03616	1.3
111.04391	1.3
111.08032	1.3
113.02306	1.8
115.07475	1.6
123.08022	2.3
125.09610	3.5
127.07561	6.6
127.11151	1.4
135.08067	3.0
139.07550	1.5
153.09137	10.7
155.10692	2.7
158.76958	0.9
163.05995	1.0
163.11200	4.1
165.12764	3.2
167.23808	0.9
171.10173	17.8
178.09955	2.1
181.12241	1.5
185.11752	8.0
191.10750	1.6
193.07089	3.9
197.11792	8.1
201.11255	2.2
209.11771	100.0
210.12120	6.2
213.11197	1.6
225.11279	1.2
227.12837	6.1
238.12086	3.5
256.13052	1.8
289.18127	5.1
307.19141	44.4
308.19501	3.9
325.11407	3.1
325.17194	1.0
325.20218	24.0
326.20444	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.202
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03312	6.0
57.10571	1.4
58.00458	1.8
59.01251	11.1
67.77883	1.4
69.03330	2.8
70.91143	2.9
71.01249	6.7
71.04906	8.1
73.02842	2.2
73.13975	1.6
79.15818	1.5
81.03327	1.8
81.85315	1.4
83.04905	5.1
85.02826	3.2
85.66479	1.3
91.63086	1.4
97.02834	2.8
97.06474	5.7
109.06477	11.1
110.03610	2.0
111.08031	17.9
112.08341	1.9
112.65370	1.6
123.08044	3.9
125.05995	2.0
125.09609	22.9
127.07525	3.9
127.11208	10.0
135.08043	2.6
137.09654	7.9
141.09076	1.7
151.11179	5.9
153.09106	8.7
155.10710	4.8
163.06075	1.9
164.08263	2.5
165.09096	3.0
167.10699	2.3
169.12274	3.6
171.10178	22.3
181.12198	1.8
183.10199	2.0
183.13763	1.5
185.11804	4.5
193.07121	5.2
193.12268	2.3
197.11771	23.2
199.09645	3.1
199.13252	2.1
201.11259	57.3
202.11604	1.9
209.11775	16.8
211.13345	29.7
212.13765	2.5
213.11270	44.7
214.11646	2.3
219.13931	1.9
227.12820	4.1
235.13361	11.8
237.14926	3.6
238.12096	1.8
245.19098	3.3
263.20187	5.4
281.20834	1.6
289.18060	20.7
290.18384	1.4
307.19128	54.3
308.19504	4.0
325.11664	2.9
325.20200	100.0
326.20407	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	325.2022
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03328	1.9
57.73239	1.5
58.00470	4.9
59.01259	9.3
64.04093	1.5
71.01269	7.4
71.01723	2.8
71.04894	2.3
73.02856	2.1
83.04908	1.7
84.02058	4.3
85.02818	2.6
95.04909	1.7
95.31425	1.6
97.06452	2.3
99.08070	2.7
101.02323	3.6
104.37777	1.6
110.03638	2.7
113.05962	6.7
115.07558	10.3
123.08032	2.7
125.09609	20.0
127.07555	8.9
127.11185	2.8
141.09164	3.0
151.11217	23.7
153.09123	32.2
153.12772	17.0
155.14441	3.2
171.10191	100.0
172.10515	3.0
183.13837	2.6
192.79417	1.6
193.07167	5.2
195.09917	1.7
195.40936	1.5
197.11787	21.7
198.12146	2.5
199.13358	18.3
200.13591	2.0
201.11232	5.1
209.11823	6.2
211.13342	4.7
215.12828	24.7
216.07465	1.6
227.12854	58.9
228.13213	4.2
229.14415	61.9
230.14748	3.0
232.63884	1.5
235.13220	2.6
252.41830	1.8
263.20251	5.8
269.21271	2.6
289.18207	6.2
297.17490	1.6
297.20746	6.6
307.19229	22.4
308.19211	2.0
325.11429	3.7
325.20221	21.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2022
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03325	5.7
58.00455	2.3
59.01255	28.1
67.67069	2.8
69.03345	3.7
70.91541	2.5
70.91891	5.6
71.01257	14.7
71.04916	2.5
73.02837	6.2
80.02532	3.4
80.94109	2.1
81.03346	3.2
83.04909	5.0
84.02049	5.1
85.02823	3.8
89.02332	3.6
95.04943	3.3
97.02846	3.6
97.06484	6.3
101.02325	7.9
107.06374	2.0
109.06518	6.0
111.08046	34.7
112.08480	2.7
113.02319	2.4
123.08059	14.9
125.09634	18.4
127.07560	9.5
127.11206	11.0
135.08086	5.3
137.09616	2.3
139.07547	3.7
139.11198	6.1
141.09116	3.5
153.09149	10.5
155.10722	10.4
161.04564	3.2
163.06099	2.9
164.08301	3.2
165.09180	5.3
167.10721	6.6
169.12251	3.1
171.10201	49.8
182.59671	2.8
183.10214	7.5
185.11778	30.4
186.12091	2.2
187.09772	2.5
193.07114	16.8
194.28194	2.2
195.10143	4.6
197.11766	19.3
201.11272	72.4
202.11639	3.7
207.10164	2.7
209.11771	28.2
211.13231	2.9
213.11267	32.7
227.12871	5.1
238.11940	5.0
245.18976	3.1
263.20096	4.2
289.18146	18.0
307.19150	60.1
308.19510	4.0
311.48553	2.4
325.11407	10.4
325.20245	100.0
326.20569	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	325.2019
Annotation	Dinor-PGF2alpha
Peak:m/z	Relative Intensity
59.01248	34.1
59.85146	4.6
61.98680	5.2
69.23565	46.6
71.01247	13.3
73.02811	6.6
76.65394	4.5
81.03345	4.9
85.02790	6.0
87.00732	5.5
89.02294	6.0
95.59647	5.0
97.06444	9.3
98.20564	11.9
101.02312	20.6
113.02328	6.8
119.04904	6.8
122.03656	6.7
125.02359	5.4
125.09599	19.0
137.09604	5.8
167.14317	34.1
179.14255	4.6
183.01056	19.8
184.01770	6.4
193.07135	29.2
193.15903	28.3
207.17490	30.5
209.11606	25.6
249.18556	76.1
275.16461	14.0
281.21255	52.6
293.17657	25.6
307.19186	100.0
307.22592	9.0
308.19345	9.1
325.11276	19.0
325.19977	40.7
325.23901	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	325.2019
Annotation	Dinor-PGF2alpha
Peak:m/z	Relative Intensity
51.04073	3.6
57.03318	3.8
57.26552	3.3
59.01249	36.1
69.03330	4.0
71.01240	15.3
73.02804	8.5
82.36265	3.6
83.04902	4.7
85.02824	13.4
95.04897	5.8
101.02307	15.5
109.06451	6.9
111.04409	21.7
113.02354	4.8
121.03074	4.0
127.07512	5.3
135.08055	7.0
138.70183	3.6
153.09088	11.0
163.05946	6.2
171.10196	69.0
184.12947	4.4
193.07095	24.2
209.11745	9.4
245.18973	5.5
267.02966	4.5
289.18091	100.0
290.18210	6.1
304.17099	3.5
307.19043	14.7
325.11365	14.2
325.20178	35.0
326.20538	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.202
Annotation	Unknow
Peak:m/z	Relative Intensity
55.56011	2.0
57.03328	7.5
58.00451	2.8
59.01254	21.7
67.05396	2.2
69.03331	3.2
70.55024	6.5
71.01246	8.7
71.04908	9.7
71.20389	1.8
71.95852	2.2
73.02830	3.5
80.02555	2.1
83.04899	4.3
85.02820	4.0
85.06487	2.1
87.04388	2.1
89.02319	2.9
95.04919	2.2
97.02846	4.4
97.06477	7.4
101.02342	3.8
109.06480	26.4
111.08031	11.7
123.08023	3.1
125.06000	3.6
125.09630	9.9
137.09613	4.1
155.10658	2.6
157.45143	2.1
169.12216	6.6
171.10184	9.9
181.12279	3.9
183.13824	3.7
185.11775	5.9
193.07143	9.5
193.12186	2.4
197.11780	40.5
199.13351	3.8
201.11287	25.6
209.11784	4.1
211.13339	26.1
212.10046	2.0
213.11327	13.3
227.12912	3.5
235.13380	3.4
237.14996	5.3
249.14896	4.8
267.16049	2.8
289.18079	9.0
307.19226	17.0
325.11340	6.8
325.20203	100.0
326.20612	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	325.2173
Annotation	12alpha-Methylpregna-4,9(11)-diene-3,20-dione
Peak:m/z	Relative Intensity
50.69324	0.8
52.77420	0.7
57.01767	0.7
57.03318	0.7
59.01247	3.1
70.86868	1.1
71.01250	1.4
79.95617	1.5
81.64445	0.8
85.02849	0.8
88.44816	0.8
101.02322	1.2
117.93574	0.7
119.04916	1.2
131.54608	0.8
149.09625	69.3
150.09959	2.8
163.11201	76.9
164.11531	4.0
170.00337	1.3
183.01138	51.1
184.01886	6.6
193.07069	2.4
197.02664	2.2
216.00928	3.3
325.18335	100.0
325.21756	66.0
325.27502	2.7
326.18646	12.7
326.22083	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	325.2386
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01760	2.1
57.03338	1.9
59.01249	18.1
71.01260	4.5
71.53752	2.7
79.50816	2.0
82.20973	1.9
101.02344	7.5
125.09624	3.2
139.11200	3.4
163.11214	4.2
166.70581	1.9
167.10706	3.5
177.12775	3.3
183.01158	12.2
183.23602	2.0
193.07101	10.9
195.13844	23.6
197.02740	6.6
197.11771	5.7
199.55495	2.0
202.93793	1.9
209.11823	2.3
293.21301	20.2
307.19360	2.9
307.22745	4.7
309.20859	3.6
310.21457	5.9
325.11505	4.9
325.18442	33.4
325.23865	100.0
326.18625	2.2
326.24243	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	327.2176
Annotation	Corchorifatty acid F
Peak:m/z	Relative Intensity
50.73238	0.4
57.03333	0.6
58.00468	0.6
58.25201	0.4
59.01245	1.7
62.12461	0.4
66.20914	0.4
66.95322	0.4
70.68473	0.9
71.01251	2.0
73.02817	9.5
78.79877	0.4
83.04887	0.4
89.02283	0.6
97.06484	1.0
101.02289	0.4
106.68045	0.4
116.81548	0.4
123.08035	2.5
125.09606	12.5
127.11173	3.2
137.09636	0.5
141.09164	0.5
143.10674	1.4
153.09142	1.1
155.10686	6.9
165.05440	0.5
165.07574	0.5
171.10179	100.0
172.10495	4.7
173.09889	0.5
185.11711	0.8
197.11827	1.3
201.11295	3.6
203.07631	0.4
211.13406	0.6
216.49231	0.4
216.99687	0.4
229.14357	2.8
260.14774	0.4
265.21741	1.8
269.17667	0.8
283.22812	0.5
291.19693	1.0
297.03766	0.6
309.20670	4.0
310.21106	0.6
327.08740	0.8
327.16052	0.5
327.21777	10.8
328.22183	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.2174
Annotation	Corchorifatty acid F
Peak:m/z	Relative Intensity
57.03328	3.6
68.86991	0.5
69.03324	4.7
71.30581	1.3
83.04901	0.8
85.02816	18.6
95.04934	0.8
97.02821	1.7
97.06449	2.4
98.20059	1.1
106.13420	0.6
111.18057	0.5
119.08524	1.1
125.09602	1.8
127.11158	1.5
130.14438	0.5
137.09615	5.4
137.48172	0.6
167.14301	1.0
171.10176	44.8
172.10544	1.8
183.12300	0.6
183.13835	2.8
184.08566	0.6
191.95366	0.6
193.12270	1.1
197.11884	0.6
201.11221	2.4
209.11711	1.0
211.13333	13.1
212.13742	0.9
221.11763	1.9
229.14418	7.4
239.12836	2.0
291.19626	2.7
327.21741	100.0
328.22055	9.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.2176
Annotation	Corchorifatty acid F
Peak:m/z	Relative Intensity
55.01755	1.2
57.03307	2.6
59.01235	2.1
64.60832	1.0
66.58411	1.0
69.03311	1.1
71.04887	1.1
71.52706	1.6
73.02812	4.5
80.33641	1.1
85.02826	2.0
97.06462	3.7
99.08039	1.6
100.55344	0.9
112.05181	3.4
113.09587	3.1
115.07533	2.6
123.08027	1.2
125.09628	2.3
126.29839	1.0
127.07509	1.8
127.11172	5.8
129.09090	3.2
137.09599	2.1
141.09093	2.3
150.03212	1.4
155.10683	58.8
156.11009	2.7
165.12764	1.5
171.10182	52.9
172.10518	2.4
185.11752	8.8
195.10245	1.0
197.11783	8.3
201.11269	15.1
209.11781	2.2
211.13338	2.0
213.11287	6.9
221.11810	2.5
227.12799	1.4
229.14603	1.2
239.12845	1.5
243.32092	1.0
247.20778	1.6
257.13931	5.2
291.19650	9.5
292.19897	1.1
309.20712	31.0
310.21066	2.5
327.21774	100.0
328.22107	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	329.0664
Annotation	Apometzgerin
Peak:m/z	Relative Intensity
59.01252	4.0
61.98716	0.6
70.66936	0.9
99.08028	1.0
99.49747	0.5
107.01271	0.8
126.03960	0.5
133.02869	0.6
135.00749	0.7
143.04921	0.6
147.04379	0.5
151.00279	1.5
155.04910	0.6
157.02879	0.8
167.03397	0.7
167.83537	0.6
168.31602	0.5
169.12184	0.5
171.04442	1.5
171.10190	1.0
175.03949	0.8
183.04488	1.0
183.13896	1.2
187.03964	1.5
197.02408	1.2
199.03932	8.7
199.13234	1.3
200.04213	0.6
201.01926	2.9
203.03488	1.1
211.13281	3.6
213.02019	0.7
215.03429	6.0
225.01968	1.4
226.02684	1.7
227.03473	7.3
229.01283	1.2
229.14255	1.0
242.02153	14.8
243.02946	53.9
244.03282	3.7
255.03006	2.7
257.04529	13.4
257.07150	0.9
258.05051	0.8
259.15506	0.7
270.01666	12.6
271.02460	71.9
272.02789	5.2
285.04034	25.9
286.04703	7.8
299.01947	54.4
300.02316	4.2
310.31473	0.5
311.22049	0.8
314.04303	76.9
315.04654	7.2
329.06647	100.0
329.23279	18.5
329.27249	0.8
330.06989	10.2
330.23593	1.3
334.35834	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.2332
Annotation	9,12,13-Todea
Peak:m/z	Relative Intensity
57.03312	1.1
59.01253	1.0
70.21549	0.9
71.24480	2.0
99.08057	5.5
125.09626	1.1
127.11171	1.7
139.11166	4.6
167.14250	1.4
171.10172	11.3
183.13829	6.0
193.12244	2.1
211.13338	28.2
212.13644	1.7
229.14388	13.9
292.94940	1.1
329.23312	100.0
330.23657	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	331.0669
Annotation	1-O-Galloyl-beta-D-glucose
Peak:m/z	Relative Intensity
54.21245	1.9
55.11811	1.7
69.03338	2.0
70.80687	2.0
71.51637	2.1
76.21157	1.9
83.01270	3.1
97.02845	3.9
102.64888	1.8
103.97740	1.8
107.01302	3.6
110.07021	1.7
110.33832	1.7
123.00780	4.0
124.01559	10.9
125.02334	61.4
126.02709	2.9
149.99503	21.8
151.00290	10.8
157.21765	2.4
168.00555	53.8
169.01334	11.8
225.32034	2.1
235.27380	2.4
249.27261	1.9
313.05640	4.8
331.06699	100.0
332.07004	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	331.1762
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01761	5.1
57.03318	3.0
58.00475	2.9
59.01251	85.9
60.01589	1.7
69.03337	2.0
69.63241	8.5
71.01254	100.0
72.99181	5.1
73.02821	21.3
75.00754	3.0
82.28171	1.9
83.01249	10.3
85.02827	37.4
87.00729	2.5
89.02321	41.2
95.01253	8.6
98.19843	1.8
99.00761	6.9
99.04399	8.7
101.02322	58.4
113.02326	37.6
119.03387	19.3
125.02318	2.2
128.39194	2.1
131.03368	2.7
143.03400	3.4
151.00267	3.6
159.02898	4.5
161.04453	20.0
179.05548	2.1
189.41422	1.7
213.10255	2.3
231.67693	1.8
249.13368	3.9
259.02472	2.6
279.97147	1.8
301.11914	13.7
301.14792	2.1
303.05038	1.9
313.11841	3.5
331.04614	5.9
331.17529	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	331.1764
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01754	3.5
57.03315	3.0
58.00470	5.0
59.01251	100.0
64.65524	1.0
70.67106	3.0
71.01254	96.3
72.01585	1.6
72.99173	9.3
73.02825	11.8
75.00758	1.1
83.01263	6.9
85.02351	0.7
85.02821	25.3
87.00763	3.4
89.02317	71.2
90.02636	1.1
95.01263	6.8
98.20150	1.4
99.00756	4.4
101.02324	55.1
113.02335	31.3
119.03400	27.3
121.69366	1.0
125.02353	1.9
131.03415	3.4
143.03413	3.3
149.04427	1.9
161.04486	7.6
174.05547	1.1
179.05576	2.7
187.28792	1.3
191.70775	1.1
201.09488	1.0
203.27194	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1889
Annotation	Unknow
Peak:m/z	Relative Intensity
51.34329	0.8
53.15662	0.7
53.99134	0.8
59.01238	1.3
65.17593	0.9
69.03337	5.4
70.03719	0.9
70.10440	1.6
70.10780	1.3
71.01246	19.4
84.02034	0.9
88.43156	0.8
97.02247	1.6
97.02827	21.4
97.06439	1.3
101.02283	0.8
119.30803	0.7
125.05933	1.3
125.09645	1.2
125.99232	3.6
141.09105	6.4
165.01605	8.4
165.08836	1.7
178.02335	2.4
178.18456	0.9
181.08336	3.1
182.98965	0.8
183.09927	1.8
191.03188	1.9
191.06837	1.3
193.08391	15.3
209.07863	9.7
210.01347	1.7
219.06296	3.0
221.07913	5.5
222.08679	100.0
223.09430	47.9
224.09814	2.5
225.07339	2.3
227.08949	3.3
245.75696	0.8
254.07704	8.8
261.11038	19.1
262.11826	44.1
263.12155	1.5
267.08508	0.9
284.86316	0.9
294.10895	4.6
301.17697	1.8
303.19382	2.6
313.17850	4.1
331.15921	1.6
331.18896	42.3
332.19254	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	331.1949
Annotation	Unknow
Peak:m/z	Relative Intensity
55.89538	2.4
59.01240	5.3
61.48971	2.6
63.96109	47.9
71.50096	2.4
71.53729	2.5
78.98461	88.4
101.02280	2.3
101.62544	2.2
127.57659	2.3
201.29503	2.3
331.15408	4.7
331.19446	100.0
331.23663	5.4
332.19696	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	333.1093
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	0.7
69.35043	2.9
71.01247	1.2
73.96284	0.4
74.07037	0.4
78.03357	1.0
88.97813	0.4
92.04903	2.5
94.06498	3.6
98.20617	0.9
101.02328	1.2
103.04119	0.6
104.04947	3.6
105.03329	2.3
106.06509	12.7
107.03671	1.0
107.06820	0.7
108.04424	1.9
120.04448	5.9
121.05206	1.5
122.02401	0.9
122.06008	15.3
123.03163	2.1
124.07573	0.9
131.03627	0.7
132.04448	7.7
138.05501	23.5
139.05893	0.9
148.03941	0.6
150.05508	2.6
158.09657	0.7
166.04984	1.2
174.12744	0.5
188.07120	1.0
189.07875	0.9
203.09401	0.6
213.06607	0.7
215.11877	1.7
217.07466	2.1
227.11728	0.5
229.09676	0.9
231.09171	1.0
231.11328	0.8
241.09814	2.3
242.10359	0.5
243.11259	2.1
259.10959	0.9
271.10883	1.2
289.11935	100.0
290.12286	7.6
333.10950	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	333.2104
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03058	1.0
59.01258	1.8
59.74094	1.0
59.86109	1.2
61.98692	1.1
63.96112	46.9
71.53829	1.8
78.98464	78.0
93.38857	1.1
202.76826	1.1
204.72914	1.1
219.42334	1.2
253.21805	1.3
253.87044	1.4
329.43958	1.3
329.79739	1.4
333.21051	100.0
334.21606	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	339.2327
Annotation	Dimethisterone
Peak:m/z	Relative Intensity
58.37800	0.5
59.91867	0.5
70.13793	2.0
73.79359	0.5
88.38827	0.5
92.63123	0.5
107.04832	0.5
119.01554	0.4
121.23676	0.5
163.11194	100.0
164.11508	4.4
183.01064	3.0
272.39493	0.5
339.19989	3.0
339.23291	41.5
340.20447	0.7
340.23715	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1089
Annotation	alpha,alpha-Trehalose
Peak:m/z	Relative Intensity
51.22750	0.8
54.07281	0.7
55.01761	1.0
56.20713	0.7
57.03328	2.0
58.00475	4.3
59.01254	100.0
60.01591	1.7
70.27061	1.7
70.27430	1.6
71.01257	67.1
72.01602	1.3
72.99176	4.0
73.02827	2.0
80.48441	0.6
83.01278	2.1
85.02829	10.3
87.00767	3.4
89.02320	64.0
90.02671	1.4
95.01286	4.6
97.60770	0.7
98.20424	0.8
101.02328	28.9
101.03009	1.4
107.06767	0.8
107.58929	0.9
113.02336	21.5
119.03397	19.3
131.03433	3.3
143.03470	3.7
149.04427	2.2
161.04482	4.3
179.05539	15.7
179.06978	1.3
341.10907	18.7
341.14835	1.0
342.11319	2.1
362.69409	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1968
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03318	3.5
58.00459	7.3
59.01252	100.0
70.66097	2.0
70.66460	6.1
71.01254	86.8
72.99183	7.3
73.02843	4.9
73.70655	2.0
83.01241	2.7
84.02024	3.2
85.02821	11.8
87.00758	4.9
89.02320	97.4
90.02662	2.1
95.01298	4.5
95.04887	12.0
97.06438	3.0
101.02321	37.3
107.04934	2.0
111.56753	2.1
113.02321	26.7
113.05984	2.4
113.09587	8.8
115.07552	9.8
119.03388	32.7
123.20856	1.8
125.09639	3.2
127.07578	13.2
131.03326	5.6
139.07562	4.9
141.09065	3.1
143.03406	7.6
148.24893	1.9
149.04463	4.5
149.09587	2.1
151.07582	3.9
151.11163	6.4
155.10716	2.7
161.04492	13.6
167.10709	2.0
169.08614	13.5
171.10175	45.3
172.03024	2.6
173.21144	2.2
179.05539	37.7
179.06979	3.2
181.12291	3.2
185.11772	7.7
201.11324	2.2
207.10162	7.0
209.11865	2.3
213.11253	7.7
225.11256	10.2
226.11731	2.1
227.12811	8.5
237.75615	2.2
243.12456	2.6
254.04662	1.9
279.19745	7.0
305.17511	4.5
307.97867	2.1
323.18475	6.4
341.10815	36.3
341.19702	4.9
341.23398	4.9
342.11255	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1968
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03318	3.5
58.00459	7.3
59.01252	100.0
70.66097	2.0
70.66460	6.1
71.01254	86.8
72.99183	7.3
73.02843	4.9
73.70655	2.0
83.01241	2.7
84.02024	3.2
85.02821	11.8
87.00758	4.9
89.02320	97.4
90.02662	2.1
95.01298	4.5
95.04887	12.0
97.06438	3.0
101.02321	37.3
107.04934	2.0
111.56753	2.1
113.02321	26.7
113.05984	2.4
113.09587	8.8
115.07552	9.8
119.03388	32.7
123.20856	1.8
125.09639	3.2
127.07578	13.2
131.03326	5.6
139.07562	4.9
141.09065	3.1
143.03406	7.6
148.24893	1.9
149.04463	4.5
149.09587	2.1
151.07582	3.9
151.11163	6.4
155.10716	2.7
161.04492	13.6
167.10709	2.0
169.08614	13.5
171.10175	45.3
172.03024	2.6
173.21144	2.2
179.05539	37.7
179.06979	3.2
181.12291	3.2
185.11772	7.7
201.11324	2.2
207.10162	7.0
209.11865	2.3
213.11253	7.7
225.11256	10.2
226.11731	2.1
227.12811	8.5
237.75615	2.2
243.12456	2.6
254.04662	1.9
279.19745	7.0
305.17511	4.5
307.97867	2.1
323.18475	6.4
341.10815	36.3
341.19702	4.9
341.23398	4.9
342.11255	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.2332
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03310	1.2
58.00470	2.1
59.01249	48.0
60.01542	1.1
67.57252	0.9
69.03312	2.4
70.02443	2.0
70.02827	2.2
71.01251	41.1
71.71666	0.9
72.99177	3.2
73.02859	1.7
82.09680	0.8
84.02046	18.0
85.02844	4.8
87.00766	2.7
89.02315	49.0
90.02641	1.4
95.01250	1.9
95.04901	1.2
97.02842	6.5
97.06467	4.0
99.04395	3.4
101.02321	21.0
102.02676	1.1
111.08073	1.6
113.02328	16.4
119.03388	16.3
119.08514	1.7
124.32401	0.9
127.11147	1.6
131.03360	2.3
132.80182	1.0
135.08110	1.7
137.09578	2.5
143.03406	3.3
149.04385	2.0
151.11263	1.0
161.04517	5.1
169.08656	0.9
171.10184	46.6
172.10498	3.2
179.05511	18.4
180.05861	1.3
183.13834	4.4
193.12263	5.4
211.13313	5.4
221.11684	1.1
225.14893	5.5
243.15981	1.9
253.14383	1.2
291.19653	2.0
311.09091	1.3
341.10828	20.2
341.23300	100.0
342.11246	2.4
342.23672	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	341.2334
Annotation	Unknow
Peak:m/z	Relative Intensity
54.11911	0.8
59.01255	15.7
62.77293	0.8
69.03313	1.1
70.53665	2.1
71.01253	10.9
71.67056	0.7
84.02048	24.3
85.02836	1.5
87.34204	0.9
89.02325	14.6
97.02832	9.8
97.03419	1.2
97.06484	0.9
97.36834	0.8
99.04403	7.3
101.02321	5.2
106.72117	0.9
113.02325	4.7
119.03403	5.1
119.08548	2.2
125.02425	0.8
125.09614	1.4
127.11169	1.8
135.08076	2.2
137.09619	1.7
161.04457	1.0
169.60652	0.9
171.10190	76.8
172.10513	4.4
172.84451	0.8
176.20836	1.0
179.05550	4.3
179.57982	0.8
225.14854	1.8
239.12788	1.2
253.14578	1.6
255.78177	1.0
260.31097	0.8
291.19754	2.2
315.08005	1.0
341.10883	3.5
341.23325	100.0
342.23645	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	341.2334
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01257	7.0
69.03327	2.4
70.55302	0.7
70.55630	1.3
71.01266	4.3
73.87905	0.6
83.04895	1.1
84.02048	7.4
85.02799	0.7
89.02325	5.6
97.02829	3.7
97.06477	13.5
97.76591	0.6
99.04393	1.6
101.02309	2.0
111.08046	1.1
113.02338	1.4
119.03375	1.4
119.08588	0.9
125.09618	1.6
137.09612	0.8
144.40665	0.6
165.12758	0.9
171.10201	23.5
172.10608	0.8
175.11224	1.1
179.05507	1.8
185.11758	0.9
193.12299	15.6
194.12691	1.1
197.15446	0.6
211.13324	3.3
221.11856	1.2
225.14944	21.1
226.15228	1.4
243.16037	9.9
244.16231	0.8
253.14349	1.3
291.19687	2.8
323.22397	0.6
341.10925	1.8
341.23331	100.0
342.23688	10.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.037
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	100.0
61.15854	1.2
63.37028	1.2
69.39397	1.7
71.52398	1.9
80.36829	1.5
86.52572	1.5
115.74892	1.3
122.07073	1.6
157.03462	5.1
159.01439	7.4
201.02487	97.7
202.02612	8.1
260.41565	1.4
317.85196	1.5
343.08286	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	343.2125
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03304	1.2
58.00468	1.3
59.01247	8.7
62.98129	0.9
70.28012	2.0
71.01252	5.8
71.19877	0.9
71.38902	1.0
73.02833	2.2
84.02022	1.3
89.02311	1.5
97.06467	2.1
97.35443	0.9
98.20695	1.0
101.02307	1.4
111.08038	8.1
121.02834	1.7
123.08031	2.4
125.09593	3.4
127.11171	3.5
135.08015	1.3
151.11206	1.0
153.09035	1.3
155.10690	2.3
163.11304	1.3
169.12314	1.3
171.10175	100.0
172.10504	4.3
185.11768	7.1
197.11789	3.3
198.02966	1.1
201.11247	23.4
206.48201	0.9
209.11794	2.2
213.11258	8.7
215.12801	1.9
242.02101	1.9
262.41504	1.3
270.01584	1.9
285.03934	2.9
289.18207	1.2
289.21555	1.0
307.19434	1.1
313.03549	6.3
325.20224	2.7
328.05786	2.1
343.08130	9.1
343.21240	97.5
344.08713	1.6
344.21481	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	343.2124
Annotation	Gallicynoic acid F
Peak:m/z	Relative Intensity
54.78941	2.0
56.69773	2.3
59.01251	27.0
59.77837	2.3
69.94154	7.5
71.01248	5.5
71.04879	3.8
80.52630	2.2
83.04885	3.1
85.02817	4.7
89.02332	4.7
95.04943	2.4
97.06442	3.9
98.19903	3.0
101.02332	2.2
108.58724	2.3
111.08062	5.6
115.10323	1.9
121.02872	5.9
125.09618	3.3
127.11150	3.6
153.09146	3.2
171.10185	49.0
185.11742	5.8
197.11768	3.0
201.11275	9.8
209.11789	2.7
211.13338	5.1
213.11252	4.1
226.02631	2.7
227.12752	3.1
229.14452	4.5
233.54080	2.4
255.15912	4.1
259.03833	2.3
270.01614	4.8
285.04007	5.0
298.01163	3.1
304.99353	2.4
313.03583	22.5
325.20035	4.7
328.05838	3.7
343.08057	22.9
343.21225	100.0
344.08673	4.8
344.21573	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	343.2488
Annotation	Tianshic acid methylester
Peak:m/z	Relative Intensity
50.65343	0.6
59.01251	3.3
69.03323	1.3
71.01224	0.9
71.52802	1.1
72.09525	0.6
83.04901	1.1
89.02341	0.7
90.77772	0.6
97.06470	0.8
99.08030	6.0
110.09089	0.6
121.02786	0.8
121.10098	3.2
125.09598	1.9
127.00217	0.7
127.11206	0.7
137.09592	1.3
139.11194	0.9
171.10181	28.7
172.10550	0.7
182.17291	0.6
185.11839	0.7
193.12280	11.3
197.15440	0.6
208.07439	0.8
211.13374	2.2
225.14899	14.7
226.02721	0.7
243.15988	5.9
270.01813	1.2
293.21231	2.6
311.22327	1.1
313.03531	5.7
325.23715	0.7
328.05844	2.0
343.08286	5.1
343.24872	100.0
344.25241	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	343.2489
Annotation	Tianshic acid methylester
Peak:m/z	Relative Intensity
52.50684	1.0
59.01255	9.3
70.05264	4.1
71.01257	2.6
77.26584	1.1
89.02311	2.0
94.05764	0.9
95.50430	0.9
101.02341	1.4
104.10789	1.1
121.02813	2.0
121.10141	9.9
127.11150	1.4
137.09593	1.7
139.11209	2.8
171.10181	53.4
172.10472	3.0
193.12247	4.0
211.13287	1.2
225.14915	3.9
242.02150	1.2
243.15987	1.8
254.01929	1.1
270.01663	3.3
285.04166	3.1
293.21277	3.1
313.03555	10.9
325.23883	1.2
327.05032	1.6
328.05841	2.9
329.06467	1.1
343.08234	12.5
343.24893	100.0
344.08725	1.9
344.25226	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	345.1093
Annotation	Miraxanthin-V
Peak:m/z	Relative Intensity
52.50247	0.7
54.04362	0.8
59.01244	2.0
69.38190	1.3
69.38598	4.0
71.01239	1.0
86.35069	0.7
89.02304	0.9
95.03629	3.4
96.08065	1.4
97.01620	0.8
104.04945	1.4
106.06498	4.5
122.05972	2.5
124.07586	3.9
132.04449	34.4
133.05247	18.2
134.06050	4.7
138.05482	1.1
148.03912	2.6
150.05466	1.8
165.04219	24.4
166.04567	1.0
176.03517	0.9
176.06999	1.0
176.32112	0.8
177.04237	4.4
178.05035	1.3
183.10194	6.7
184.07733	0.9
186.09140	4.3
198.09235	0.8
201.24681	0.7
209.03218	6.1
213.06653	4.1
214.12317	7.2
215.11795	7.6
226.07433	1.0
229.09726	4.1
240.10370	1.5
241.09784	4.4
255.11362	0.8
257.12933	23.3
258.13181	2.1
283.10919	7.5
284.72568	0.7
301.11920	18.0
302.12305	1.5
311.11438	0.7
327.09784	2.3
330.10870	0.7
345.10895	100.0
346.11292	8.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1092
Annotation	Unknow
Peak:m/z	Relative Intensity
51.03336	0.8
57.57094	0.9
59.01255	4.6
61.32757	0.8
70.86952	0.8
71.01241	2.5
71.33145	1.3
80.04929	1.5
84.04425	2.6
85.02831	1.2
86.02348	1.2
89.02323	2.5
94.02840	0.9
95.03628	6.5
96.08051	2.0
101.02319	1.3
104.04934	3.7
106.06515	11.6
108.04486	1.1
112.03925	1.9
115.38635	0.9
119.03377	1.2
120.04459	1.0
122.05983	4.5
123.03162	1.3
124.07587	9.7
132.04446	70.6
133.05238	33.8
134.06046	10.4
136.03929	1.1
138.05481	1.3
148.03914	3.8
150.05527	2.5
165.04231	46.6
166.04564	1.9
166.73282	0.8
170.16370	0.9
171.06868	1.1
176.03409	2.7
176.07043	2.0
177.04233	6.3
178.05045	2.5
184.07613	2.1
186.09174	6.2
187.08748	1.7
209.03224	12.1
211.13272	1.5
213.06645	8.3
214.12299	13.1
215.11772	11.1
216.12158	1.0
226.07388	2.3
227.08081	1.5
229.09807	5.5
240.10352	1.9
241.09709	5.1
255.11476	1.9
257.12933	51.3
258.13202	3.2
279.99692	1.0
283.10907	14.1
284.11108	1.0
301.11929	36.8
302.12280	3.1
327.09772	2.6
328.91064	0.9
345.10898	100.0
345.22705	3.7
346.11227	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	345.1554
Annotation	(2E,6Z)-8-beta-D-glucopyranosyloxy-2,6-dimethyl-2,6-octadienoic acid
Peak:m/z	Relative Intensity
55.01758	5.0
55.84276	0.9
56.29674	0.9
57.03333	4.8
58.00478	2.4
59.01254	49.9
63.79673	0.9
63.99695	1.0
70.73810	2.2
71.01255	57.6
72.99173	4.2
73.02814	13.5
76.70564	1.0
83.01251	8.1
85.02345	1.7
85.02823	24.9
85.99971	1.3
86.03155	1.5
87.00759	3.2
89.02321	26.2
95.01271	5.0
99.00756	5.6
101.02325	44.9
102.02646	1.3
107.14779	1.0
113.02328	25.1
117.38039	0.9
119.03392	14.2
121.10123	6.0
129.01955	1.0
129.77060	1.0
138.52562	0.9
143.03371	2.2
147.28157	1.1
159.02925	2.0
161.04471	12.1
167.10655	1.3
179.05498	1.4
180.37242	0.9
183.10164	1.7
220.40178	0.9
270.14435	0.9
288.73611	1.1
301.16422	1.6
345.15536	100.0
345.22549	2.5
346.15814	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	345.1839
Annotation	Unknow
Peak:m/z	Relative Intensity
50.80809	18.0
59.01272	45.3
60.43534	18.4
61.98702	19.3
66.20357	17.3
69.61017	48.4
69.61408	38.2
69.99399	15.4
70.55077	17.2
72.38870	20.5
85.15210	15.2
87.17023	16.7
90.97041	18.9
111.42232	17.9
141.67372	20.5
143.06589	18.7
143.43916	16.1
149.78923	17.2
161.05911	18.9
171.10248	19.1
209.75720	19.0
291.19748	35.8
309.20844	40.8
345.13568	30.4
345.17233	25.0
345.20602	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1837
Annotation	Unknow
Peak:m/z	Relative Intensity
51.57432	6.0
57.07458	6.1
59.01258	9.9
61.98685	6.8
65.73254	5.2
69.95102	13.4
69.95507	20.6
90.37193	5.8
141.61824	7.7
291.19653	20.4
309.20667	100.0
329.73996	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	347.0104
Annotation	Unknow
Peak:m/z	Relative Intensity
55.29594	6.4
59.01243	6.3
69.67397	31.3
71.01266	8.7
72.99155	17.2
85.02819	10.6
87.00774	17.5
97.81559	6.1
98.20525	14.0
105.80645	7.4
111.00768	17.7
115.00243	8.7
125.00859	17.3
126.98770	100.0
168.99879	13.2
170.34401	6.8
172.99274	9.3
182.97771	66.5
183.97885	8.0
188.04924	6.9
191.01909	30.3
200.98911	25.8
242.99983	46.5
268.97922	8.3
270.55740	6.7
281.75269	9.3
321.57635	7.0
355.96817	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	348.2755
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01253	100.0
60.01558	4.4
61.98713	6.1
70.79726	9.2
71.01276	10.6
89.02319	10.6
96.95887	10.8
198.15862	4.3
331.13156	8.0
350.48645	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	349.0697
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01755	1.5
56.74753	1.1
57.03337	1.4
59.01256	29.2
59.03703	1.1
71.01259	37.2
71.15985	1.7
72.99185	2.3
73.02827	7.2
74.07056	1.3
74.92346	1.3
78.95802	7.7
83.01274	3.3
85.02827	13.4
87.00761	1.4
89.02327	17.7
95.01273	2.6
99.00761	3.0
101.02332	20.9
110.06003	1.8
113.02349	13.9
119.03395	6.9
121.02855	100.0
122.03193	3.0
127.97489	1.1
136.07578	3.6
143.03439	1.1
149.30685	1.2
152.99510	12.3
159.02916	2.4
161.04491	10.0
177.28433	1.4
187.06587	1.3
187.13252	1.7
192.75798	1.2
227.03108	3.1
240.55518	1.3
349.07077	8.1
349.14279	3.2
349.18701	9.4
363.57675	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.1503
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	100.0
64.53328	2.3
69.03316	6.3
71.01258	9.0
71.52670	3.0
73.88786	2.2
89.02319	7.3
101.02327	5.8
108.04440	3.2
113.02316	2.9
117.90205	2.3
120.08084	6.2
122.05975	3.8
124.03873	3.6
132.08067	9.3
136.03978	3.1
148.07549	3.8
148.49232	2.1
150.09181	11.0
152.80357	2.2
154.48242	2.5
163.01422	2.4
165.67625	3.1
185.00771	2.4
194.08124	12.0
289.11908	12.6
301.11963	8.3
301.46191	2.3
313.11670	2.8
328.34015	2.0
330.02939	2.3
331.13290	2.7
336.91107	2.5
349.18564	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	349.1866
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01756	4.9
57.03313	3.3
58.00460	4.9
59.01253	98.2
64.74710	0.9
69.70165	5.9
71.01254	100.0
72.99166	3.8
73.02818	19.1
75.00772	1.5
79.26003	1.0
83.01270	8.1
85.02822	28.2
87.00751	4.8
89.02316	64.7
95.01273	7.2
97.02821	2.2
98.19641	1.0
99.00780	7.0
101.02324	70.9
101.97622	1.1
113.02332	41.4
114.02676	1.4
119.03391	31.0
125.02299	2.2
131.03383	4.6
141.09088	2.5
143.03433	7.7
149.04472	1.8
152.90216	1.1
159.02890	5.2
161.04469	30.6
162.04793	1.0
179.05554	11.2
187.13362	11.0
225.00885	1.0
303.04581	1.0
349.18661	33.8
350.19070	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	349.1867
Annotation	Unknow
Peak:m/z	Relative Intensity
52.24265	0.5
55.01754	4.8
55.94089	0.6
57.03320	2.8
58.00467	4.3
59.01248	100.0
59.77253	0.5
60.01580	1.1
69.21780	5.2
71.01251	91.5
72.01588	1.6
72.99183	6.1
73.02817	16.6
75.00746	1.5
83.01252	8.2
85.02821	27.3
87.00751	4.1
89.02313	60.9
91.73721	0.6
95.01270	6.5
97.02841	1.4
99.00753	6.3
101.02321	63.8
102.02645	1.2
113.02324	35.5
114.02661	0.7
115.43806	0.6
119.03385	26.7
125.02317	1.7
131.03412	2.8
137.32149	0.6
143.03412	6.1
149.04420	2.0
159.02864	4.0
161.04454	23.7
162.04730	0.8
164.54584	0.6
179.05515	7.2
187.11743	0.7
187.13310	11.4
205.03505	0.9
216.18971	0.6
246.66933	0.6
305.11240	1.3
349.14780	0.7
349.18695	11.9
350.18866	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.187
Annotation	Sachaloside VII
Peak:m/z	Relative Intensity
55.01755	2.9
57.03320	4.8
57.40825	1.6
57.50926	1.5
58.00459	6.9
59.01255	100.0
63.02453	1.8
63.89211	1.5
68.44627	1.5
69.46362	1.6
71.01259	85.6
71.08501	3.2
72.99192	5.2
73.02824	11.0
78.95776	6.0
83.01283	4.2
85.02824	23.3
87.00768	3.4
89.02325	64.4
95.01268	4.7
99.00741	4.0
101.02331	54.0
107.91748	1.8
113.02346	35.6
119.03397	35.9
121.02853	98.2
122.03204	3.9
131.03369	3.5
143.03423	6.2
150.29016	1.5
150.70801	1.6
152.99527	12.1
159.02872	3.9
161.04459	21.8
179.05524	10.1
187.13321	10.8
224.14034	1.5
227.03137	2.8
326.83313	1.9
349.07016	8.8
349.18695	54.1
350.18924	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	349.1866
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01756	3.6
57.03316	4.0
58.00457	4.4
59.01250	100.0
69.18455	11.6
71.01251	96.2
72.99186	7.2
73.02817	13.2
83.01261	7.6
85.02824	30.3
85.81689	1.4
87.00763	3.1
87.04390	5.1
89.02316	70.7
92.96531	1.2
93.41586	1.4
95.01278	6.7
96.95908	1.4
99.00778	6.3
99.04417	1.7
101.02320	63.0
102.02680	1.4
113.02336	36.7
119.03389	30.7
124.07624	1.9
125.02338	2.0
129.40565	1.4
131.03429	2.1
136.07582	6.6
138.09161	4.3
143.03410	9.1
149.04434	1.9
159.02893	3.4
161.04474	30.6
169.01765	1.3
174.20798	1.5
179.05545	6.3
187.13272	10.5
196.13988	1.5
261.16165	1.9
308.06015	1.5
349.06219	2.2
349.14163	7.2
349.18539	38.7
350.18948	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	349.1866
Annotation	Sachaloside VII
Peak:m/z	Relative Intensity
54.57440	1.6
55.01760	3.9
56.40495	1.5
57.03308	3.2
58.00460	5.3
59.01250	100.0
66.94158	1.5
69.58087	9.0
71.01251	97.0
72.01566	1.7
72.99198	5.5
73.02811	7.6
73.14738	1.8
74.39274	2.0
75.00732	1.6
83.01260	6.5
85.02822	19.7
87.00745	3.6
87.04367	2.9
89.02315	83.9
95.01261	6.3
99.00775	4.6
99.04436	1.6
99.95581	1.6
101.02321	63.0
102.02657	2.2
113.02332	41.5
119.03393	40.7
121.02848	3.6
131.03398	5.5
140.47414	1.7
141.72659	1.6
143.03456	8.0
149.04437	3.6
159.02905	6.7
161.03230	2.4
161.04468	33.1
162.04924	2.0
179.05542	8.5
187.13310	17.3
230.37685	1.7
317.18695	2.0
349.10147	2.3
349.14911	2.6
349.18652	51.4
350.19083	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	350.0515
Annotation	Unknow
Peak:m/z	Relative Intensity
55.08379	2.1
59.01245	7.2
61.98703	100.0
69.29695	10.0
69.30102	4.0
78.41970	2.0
117.56010	2.0
121.31378	1.9
149.35577	2.0
168.49384	1.9
174.17839	2.2
179.34566	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	351.072
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01221	2.0
59.36306	1.6
62.44722	1.8
65.00188	2.5
67.01768	3.6
69.51387	4.0
69.51788	9.9
73.02847	4.6
94.19473	1.8
97.02843	6.0
98.19843	4.0
111.00755	15.1
111.77847	1.7
119.04913	74.6
143.03435	12.2
163.03915	100.0
164.04219	4.6
169.01346	10.5
205.03481	3.0
255.14853	1.9
312.01187	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	351.072
Annotation	Unknow
Peak:m/z	Relative Intensity
50.24221	1.6
53.21812	1.5
53.88344	1.6
59.01256	2.2
65.00203	2.0
67.01753	3.6
71.40628	2.1
72.99177	9.1
73.02827	6.4
83.01244	2.0
85.02826	2.7
86.56971	1.3
88.79568	1.4
97.02834	6.2
99.04429	1.6
111.00758	40.2
113.79381	1.4
119.04916	97.1
120.05248	4.1
143.03386	9.9
154.99751	5.5
163.03912	100.0
164.04230	3.6
164.65549	1.5
169.01347	11.4
173.00845	14.3
183.21541	1.6
205.03462	27.4
240.80891	1.4
327.85144	1.6
339.45297	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.1296
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	37.6
60.65057	6.1
71.01254	19.8
71.52444	8.1
73.15746	5.3
75.00742	9.3
83.01263	7.1
83.02525	5.8
85.02821	20.6
85.06468	58.5
87.00726	7.5
90.29627	6.1
99.00739	11.7
101.02329	6.8
101.05955	95.3
113.02328	39.0
113.05944	9.2
115.03876	8.0
148.03928	20.3
161.04453	7.9
199.68336	6.0
249.06021	23.0
351.12897	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.166
Annotation	Unknow
Peak:m/z	Relative Intensity
52.77888	2.5
57.33132	2.4
58.12783	2.3
59.01249	100.0
62.90023	2.3
69.49509	13.2
70.49814	2.5
71.01252	3.2
96.95884	38.9
109.60197	2.3
116.92677	2.7
123.54016	2.4
134.48338	2.5
204.82591	2.8
351.11160	17.1
352.11667	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	352.2163
Annotation	Unknow
Peak:m/z	Relative Intensity
52.30216	1.4
53.53247	1.2
54.87019	1.1
55.04805	1.1
59.01245	6.2
61.98679	2.9
71.01245	1.8
71.03329	1.1
75.95975	1.2
79.95600	10.2
81.49064	1.1
85.02823	1.7
87.59491	1.2
95.95105	6.1
96.68150	1.0
96.95889	90.8
98.20564	2.9
152.00113	3.7
158.72902	1.3
159.68465	1.3
173.04465	1.6
191.05531	2.0
215.75888	1.3
230.91960	1.3
252.00090	1.3
253.67439	1.2
300.00790	1.4
308.19147	2.8
352.21603	100.0
353.21957	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	353.0881
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01257	62.6
63.19417	10.8
69.17749	90.2
69.18153	16.9
71.00895	11.3
71.01264	26.2
73.02790	14.0
81.57028	11.4
84.85944	11.7
85.02834	13.7
88.33217	13.0
89.02287	12.6
95.02888	11.0
98.19846	27.3
98.83812	11.2
99.00755	59.9
134.03606	25.0
137.55661	11.1
147.04463	19.6
148.05232	24.3
159.04353	18.2
160.05203	40.4
161.02339	22.3
162.03142	77.0
163.03909	23.9
172.05234	23.0
173.04652	14.3
173.06046	45.0
175.03850	15.7
176.04683	15.8
177.05502	100.0
187.03932	21.7
188.04735	51.1
189.05396	14.6
190.02620	26.7
190.06319	31.9
191.06956	13.6
202.06264	34.0
203.07045	25.3
204.04195	40.9
205.04971	37.6
217.08701	85.2
218.02104	13.8
219.02916	25.1
219.06549	83.4
221.08167	58.6
222.82567	12.0
231.06625	25.7
235.06078	43.7
249.07677	48.7
251.05594	56.3
265.07306	14.0
273.17395	16.0
293.06772	49.3
293.15942	13.9
298.93298	12.8
353.08704	39.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2121
Annotation	Guayulin B
Peak:m/z	Relative Intensity
50.82464	0.7
59.01245	1.4
70.55659	1.8
72.74038	0.7
79.95619	2.2
96.95884	20.7
115.29565	0.8
115.97130	0.6
122.97449	1.5
127.67377	0.7
130.82225	0.7
134.74109	0.7
162.99075	0.8
163.11191	84.3
164.11546	5.9
177.09128	69.1
178.09454	3.8
179.03082	0.8
191.05513	1.2
247.37598	0.8
249.64268	0.8
353.21060	100.0
354.21478	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	355.0673
Annotation	Unknow
Peak:m/z	Relative Intensity
51.35735	0.8
55.01754	1.9
57.03331	14.1
58.46935	0.7
59.01257	9.4
70.93980	1.1
71.01256	6.2
72.99184	2.2
75.00748	2.3
78.14890	0.7
83.01252	1.5
84.02055	3.3
85.02830	100.0
86.03163	2.5
87.00769	1.3
89.02335	1.0
91.26656	0.7
101.02393	0.8
103.00278	1.4
105.03719	0.8
111.00779	2.6
113.02292	0.8
119.04919	3.2
129.01851	8.0
133.01320	1.5
134.03671	4.3
147.02887	9.0
149.06044	1.0
158.75043	0.7
163.03908	2.3
173.00800	1.6
178.02635	1.2
191.01913	24.6
192.02235	1.2
193.05118	3.4
200.22226	0.7
209.02994	29.3
210.03526	1.3
283.34573	0.7
290.46460	0.8
331.22156	0.7
355.06851	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.0822
Annotation	Fridamycin E
Peak:m/z	Relative Intensity
59.01237	9.3
61.98669	2.9
71.01279	3.3
85.02820	4.6
85.08737	2.4
108.52238	2.4
118.04127	2.3
119.04918	16.3
121.02840	87.8
122.03175	5.9
127.13113	2.3
138.63402	2.5
141.46921	2.6
162.03072	2.5
163.03882	8.2
181.06419	2.7
225.05502	3.3
240.81963	2.6
311.09238	100.0
312.09650	8.1
355.08246	36.9
355.15314	3.0
355.21335	3.6
356.08447	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1038
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01257	10.3
71.01263	6.5
85.02808	2.6
89.02305	4.1
98.20168	9.2
101.02303	3.8
101.34075	1.3
107.04929	3.4
113.02328	2.2
132.02066	14.8
134.03644	14.3
149.05959	2.8
151.03902	4.8
160.01582	62.3
161.01903	3.9
175.03934	100.0
176.04428	5.4
191.07088	3.3
193.05019	22.1
217.04997	5.5
235.06010	7.0
244.19270	1.4
265.07205	3.3
284.57578	1.3
295.08203	6.7
337.92303	1.2
355.10461	4.3
368.59454	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1035
Annotation	Juglanoside E
Peak:m/z	Relative Intensity
59.01251	13.0
69.45279	41.8
85.02841	8.1
87.00774	6.6
98.20220	28.5
102.07635	5.8
108.90295	6.2
134.03642	92.0
137.02341	11.7
139.17615	6.1
147.84959	6.3
148.54704	6.1
149.05988	22.4
178.02626	38.5
193.05002	100.0
194.05467	7.0
209.03180	10.9
238.40775	6.6
245.17555	7.2
361.97415	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	355.1038
Annotation	1-O-Feruloyl-beta-D-glucopyranose
Peak:m/z	Relative Intensity
59.01257	8.2
70.73542	2.4
71.01243	6.0
72.84795	1.3
81.13549	1.2
89.02347	3.2
93.45590	1.0
94.30713	1.2
94.81139	1.0
99.71045	1.0
101.02325	1.7
104.01479	1.2
107.04942	1.5
111.63748	1.1
116.33503	1.1
119.03390	1.4
121.02795	1.7
132.02092	15.3
133.02855	1.5
134.03647	57.3
135.03976	1.5
137.02342	6.7
139.03923	2.8
147.04462	1.7
149.06007	13.3
160.01587	69.8
160.83376	1.2
161.01952	3.8
175.03941	100.0
176.04344	6.2
178.02658	26.9
179.02995	1.7
193.05006	77.6
194.05351	3.9
217.04985	5.4
235.06140	1.9
257.62665	1.2
295.08325	2.0
355.10309	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	355.1035
Annotation	1-O-Feruloyl-beta-D-glucopyranose
Peak:m/z	Relative Intensity
53.43986	0.9
59.01248	10.1
59.28430	0.9
59.67828	1.0
66.88203	1.0
71.01250	6.6
71.32858	1.7
72.99239	1.0
85.02824	2.2
89.02319	3.9
101.02322	2.7
113.02312	2.4
123.04408	1.1
132.02055	17.2
133.02345	1.3
134.03624	11.5
147.04465	1.2
149.05981	2.7
151.03925	1.8
160.01569	76.1
160.19275	1.0
161.01891	3.8
162.22234	1.0
175.03922	100.0
176.04288	6.6
177.01775	0.9
191.07053	3.3
193.04987	16.4
194.05328	1.4
202.02629	1.6
217.05014	4.9
235.06036	2.0
265.07358	2.1
295.08276	2.3
355.10318	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	355.2278
Annotation	19-(2-furyl)nonadeca-5,7-diynoic acid
Peak:m/z	Relative Intensity
55.13496	1.4
56.35043	1.2
59.01243	2.7
59.11597	1.4
69.83111	3.2
69.83505	2.2
75.03226	1.3
78.07425	1.3
81.50017	1.4
85.02817	2.5
98.20534	2.3
107.04926	1.3
109.02845	2.2
112.38270	1.3
116.23775	1.4
122.03621	7.9
135.04402	26.9
136.01511	2.2
136.04674	1.7
147.08092	3.1
149.06006	2.7
149.09637	9.9
151.07498	2.4
154.02634	4.0
161.09631	8.1
163.07552	3.1
163.11194	52.7
164.08344	13.5
164.11517	2.3
165.09129	8.6
177.09128	68.1
178.09906	21.3
179.09111	3.0
179.10695	62.0
180.11086	5.2
183.10170	3.6
191.10696	11.7
192.11047	1.4
193.08620	10.0
208.25278	1.3
248.28223	1.3
265.12225	1.4
284.11096	1.4
298.15741	51.3
299.16129	5.4
322.19339	1.6
337.18008	1.1
337.21707	44.1
338.22153	6.2
340.20422	85.1
341.20749	11.2
341.76483	1.5
346.92300	1.3
355.22809	100.0
356.23004	17.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	356.099
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	2.5
60.39161	0.4
69.38297	2.1
69.38708	1.1
71.01251	1.8
85.02813	0.7
89.02334	1.0
94.09341	0.4
95.01293	0.6
95.77303	0.4
98.20023	1.7
106.06513	100.0
107.06853	3.9
108.08092	5.4
113.02338	1.8
118.06511	1.2
120.08107	0.6
131.03654	1.5
134.06015	0.6
137.90471	0.5
146.05981	1.3
150.05519	51.8
151.05862	2.0
152.06984	0.4
157.06970	0.4
159.48157	0.5
160.94081	0.5
162.05539	0.5
164.07060	9.3
174.05524	0.6
181.61407	0.4
192.06598	6.6
193.06989	0.7
194.04527	25.0
195.04871	1.6
223.04309	0.4
236.05562	4.2
296.07788	2.7
356.09918	5.7
357.10278	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	356.0987
Annotation	cyclo-Dopa 5-O-glucoside
Peak:m/z	Relative Intensity
56.22626	0.5
59.01247	1.8
71.01243	1.9
71.08614	0.7
83.26382	0.5
85.02849	1.3
91.98896	0.6
95.01238	0.6
96.92520	0.5
101.02341	0.8
106.06506	100.0
106.20233	0.5
107.06820	3.4
108.08074	6.4
113.02306	2.1
118.03526	0.6
118.06489	0.8
119.47958	0.6
131.03664	1.5
139.35681	0.6
146.05974	1.2
150.05507	62.9
151.05847	2.4
164.07079	10.8
174.05504	1.1
192.06602	8.0
194.04515	35.0
195.04889	1.5
236.05605	4.4
237.05742	0.9
237.21141	0.6
296.07889	3.4
336.33917	0.5
356.09787	8.5
356.25333	0.6
357.09909	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	356.1714
Annotation	Unknow
Peak:m/z	Relative Intensity
51.80963	10.8
54.21517	9.2
54.74226	11.1
55.23438	9.1
59.01234	10.8
61.98706	100.0
71.53505	12.4
73.10124	10.1
73.32621	12.2
121.02842	43.1
193.78777	9.5
357.05969	18.8
357.09833	13.0
357.26492	15.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1191
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01968	2.7
87.88329	2.4
120.63930	2.4
123.04412	87.3
124.04748	3.3
148.76025	2.4
151.03923	6.1
153.05487	100.0
154.05820	5.6
247.86464	2.4
357.09061	2.8
357.82944	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	357.1191
Annotation	Unknow
Peak:m/z	Relative Intensity
50.80326	0.4
53.06120	0.4
59.01242	1.2
63.60667	0.4
65.07890	0.3
69.68478	2.3
71.01244	1.2
73.02811	0.7
82.54597	0.4
98.20278	1.2
101.02343	0.9
113.02316	0.6
121.02842	100.0
122.03192	3.9
130.08609	0.8
161.04561	0.5
315.17807	0.5
357.09714	0.5
357.14511	0.7
357.22238	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1921
Annotation	Unknow
Peak:m/z	Relative Intensity
51.58901	0.5
56.63988	0.6
58.46517	0.7
59.01254	82.4
60.01595	1.2
71.01252	2.9
71.53522	0.8
73.02817	1.0
83.01276	0.6
85.02828	1.5
88.64204	0.7
93.03310	0.7
101.02361	1.5
113.02299	1.0
121.02850	100.0
122.03195	5.3
136.07626	1.2
161.04466	1.7
165.01830	1.6
180.05699	1.7
181.06500	7.2
225.05511	7.9
226.05858	1.1
285.20892	0.8
313.07224	7.5
314.07632	1.0
325.12115	0.6
327.04886	1.2
342.07419	1.8
357.06131	25.5
357.09875	2.1
357.22678	1.1
357.26498	1.0
358.06290	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	358.1143
Annotation	Unknow
Peak:m/z	Relative Intensity
54.80490	0.9
56.03115	0.8
59.01247	7.5
61.08527	0.9
68.69390	0.9
71.01249	2.6
71.53815	0.9
75.71676	1.0
85.02821	1.4
87.89561	0.9
101.02355	1.5
108.08071	100.0
109.08406	4.8
113.02348	1.9
119.03517	1.1
120.08081	2.8
132.08066	1.8
148.07590	2.1
149.04607	1.1
152.07080	82.0
153.07457	4.4
164.07065	1.4
166.08644	18.6
175.03905	1.1
176.07127	1.2
190.06314	1.6
191.07060	2.0
193.05115	1.2
193.78735	0.9
194.08179	9.9
196.06081	55.7
197.06409	3.8
197.11751	2.3
205.08507	0.9
238.07114	10.0
298.09229	4.1
317.19669	3.0
344.12540	1.6
358.11411	7.5
359.14987	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	359.1348
Annotation	Semperoside
Peak:m/z	Relative Intensity
55.01759	3.6
59.01250	23.7
59.73786	3.0
61.38272	2.7
70.26661	6.2
70.27024	6.3
71.01247	15.3
73.02826	4.7
75.08057	2.8
77.72726	2.5
85.02833	6.9
85.37731	2.8
86.99610	2.7
87.04372	3.2
89.02310	6.4
91.01641	3.1
96.44952	2.7
101.02336	10.5
111.00749	3.5
113.02327	7.3
114.13732	3.1
133.10223	3.2
135.08046	9.1
149.02371	5.1
153.09119	100.0
154.09438	6.5
161.04520	3.5
177.09099	4.0
195.10136	3.2
197.06348	4.8
197.08144	88.6
198.08377	5.1
239.09218	3.8
299.18610	5.7
317.19733	10.5
359.20996	4.4
360.16394	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	359.1347
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03325	1.5
59.01246	23.8
71.01251	10.1
71.53241	1.7
75.00719	1.6
75.46675	1.6
83.19186	1.4
85.02811	4.9
87.00756	1.7
87.04394	2.8
89.02310	7.8
98.20248	2.2
101.02312	7.5
111.00713	1.5
113.02325	8.0
119.03369	3.2
133.10153	2.4
135.08023	3.8
149.02361	2.5
153.09116	100.0
154.09470	5.6
161.04398	1.7
163.04227	1.6
195.10292	2.5
197.08118	88.8
198.08437	7.5
212.92661	1.5
239.09201	1.7
247.28320	1.8
299.18512	3.2
317.19577	8.1
359.07629	2.0
359.17279	3.0
359.20956	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.2204
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	26.4
69.57259	2.8
69.57667	1.1
77.37953	0.5
85.06362	0.6
97.18024	0.6
98.20580	0.8
108.24512	0.6
151.33597	0.7
160.34195	0.6
182.07698	0.7
202.62381	0.6
244.09245	0.7
253.86343	0.7
277.21710	100.0
278.21994	9.9
316.88037	0.7
329.03070	1.5
359.07629	1.9
359.22064	16.1
360.22324	1.5
361.25037	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.1406
Annotation	Unknow
Peak:m/z	Relative Intensity
53.16283	1.1
57.40374	1.2
58.61891	1.1
59.01246	6.3
71.01237	3.0
71.44802	1.5
71.45161	1.3
73.02770	1.3
82.09320	1.3
85.02817	3.0
87.00744	1.6
89.02327	1.4
93.40195	1.2
99.00739	1.7
101.02316	1.9
110.05981	2.5
111.00755	15.0
113.02337	2.1
113.96356	1.2
116.04966	1.2
118.06480	1.9
119.03497	2.1
120.04468	1.5
120.25500	1.1
121.05306	1.1
122.06004	16.0
125.74202	1.2
132.04468	2.2
137.06059	1.3
144.04396	4.8
145.05229	13.6
146.06059	7.1
148.03946	2.3
152.03412	1.6
155.10687	9.5
159.03119	5.0
160.03944	52.8
161.04720	19.4
162.05412	2.7
164.03398	2.3
176.03459	11.2
177.04202	7.6
188.03412	3.1
189.04245	64.7
190.04924	5.8
192.02895	4.5
193.03719	16.3
199.09749	7.8
203.05824	3.0
221.03288	17.9
221.06822	18.3
222.03677	1.5
222.07317	2.0
231.11255	3.0
240.09644	1.1
243.11328	5.3
253.05916	5.9
255.11392	16.2
267.11395	29.1
268.11520	1.7
271.10699	1.2
283.10834	2.8
285.12466	4.7
299.10379	18.4
311.10376	45.0
312.10660	3.7
329.11389	15.3
330.11780	1.6
331.12976	24.7
332.13278	2.4
343.12961	100.0
344.13184	11.0
361.09985	1.5
361.14047	22.8
362.14380	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	361.1505
Annotation	Gibboside
Peak:m/z	Relative Intensity
51.34743	0.5
57.03326	0.6
59.01254	5.2
67.27993	0.5
70.88374	1.0
71.01251	3.3
73.02816	3.0
85.02837	2.6
87.04399	3.8
89.02335	1.1
89.58003	0.6
99.04417	0.5
101.02311	1.4
113.02306	2.7
115.07555	0.7
115.73933	0.6
135.08075	2.5
137.09619	13.8
138.09991	1.0
155.10684	100.0
156.11020	6.4
160.03854	0.5
165.33029	0.5
169.12212	1.4
181.08632	1.6
181.61223	0.5
185.11777	0.6
199.09692	78.9
200.10065	5.0
213.11278	1.4
241.10822	5.5
242.11049	0.7
301.20187	1.1
319.21170	3.2
331.91626	0.7
361.14508	0.9
361.18616	1.6
361.22443	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.187
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01757	2.0
57.03314	0.9
58.00454	1.0
59.01255	13.7
62.49144	0.3
69.03324	0.3
70.54837	0.6
70.55171	0.6
70.64086	0.2
71.01255	11.5
72.99178	1.2
73.02820	4.3
83.01255	3.4
85.02827	6.4
85.99986	1.1
87.00742	1.2
89.02322	2.3
95.01272	0.8
98.20084	0.4
99.00753	1.2
101.02325	9.7
111.00768	1.0
113.02318	2.9
116.98538	0.3
119.03382	0.7
137.78072	0.3
139.49072	0.3
155.10655	0.4
161.04549	0.3
181.12256	1.2
199.13339	5.4
200.13731	0.5
242.16559	0.3
265.36743	0.3
343.17575	1.0
361.18680	100.0
362.19012	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	361.187
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01761	1.5
57.03319	1.6
58.00457	1.1
59.01252	16.9
68.99723	0.4
69.17990	1.9
69.18417	1.4
71.01252	15.0
71.04865	0.4
72.01582	0.6
72.99182	1.3
73.02820	5.1
76.91618	0.3
83.01260	4.1
85.02824	8.7
85.99975	1.3
87.00757	1.2
87.04378	1.2
89.02316	4.0
95.01279	1.9
97.02835	0.5
98.20341	1.9
99.00760	1.6
101.02328	11.6
101.03004	0.6
104.05007	0.6
111.00754	1.1
113.02335	7.2
119.03409	1.1
122.06010	0.6
124.01545	0.3
125.02325	0.4
137.09637	2.5
139.11220	0.5
146.06067	0.5
148.03917	1.4
153.12714	0.4
155.10693	5.5
161.04491	0.6
169.12305	0.4
177.04271	0.4
181.12210	1.1
189.04280	0.6
192.02940	0.7
199.09688	5.2
199.13344	6.1
212.10710	0.6
231.67003	0.4
241.10838	1.7
255.11411	1.6
267.11398	0.6
269.48563	0.4
285.12445	1.0
299.10522	0.5
329.11340	1.8
343.09247	0.8
343.13284	0.5
343.17322	0.8
361.18695	100.0
362.19061	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	361.1869
Annotation	Unknow
Peak:m/z	Relative Intensity
50.54150	0.7
54.82919	0.8
55.01754	1.7
57.03308	1.7
59.01252	15.5
64.47782	0.8
71.01258	17.9
72.99180	1.4
73.02837	4.0
83.01246	3.1
85.02819	7.3
86.76929	0.8
87.00765	1.4
89.02311	3.2
95.01242	1.4
99.00726	1.0
101.02318	6.9
111.00771	1.0
113.02344	4.3
119.03397	0.9
142.66399	0.8
149.63007	0.8
153.12737	1.5
181.12268	1.7
199.13330	23.1
301.20166	1.6
319.21219	5.9
343.17587	3.5
360.63837	0.8
361.18671	100.0
362.18909	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	365.1451
Annotation	Unknow
Peak:m/z	Relative Intensity
50.82764	5.2
57.03322	90.3
58.03632	5.3
59.01247	100.0
61.98688	11.9
70.18704	5.1
71.01257	33.8
78.46421	5.8
85.02809	15.9
89.02301	18.1
99.00780	6.2
99.04404	71.5
101.02301	39.0
113.02315	17.5
119.03409	5.5
119.81633	5.2
125.02361	14.9
161.04529	14.2
203.12700	6.0
221.10315	29.0
243.93854	6.7
292.46130	5.6
365.17972	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	365.1815
Annotation	Unknow
Peak:m/z	Relative Intensity
52.01428	2.1
55.11980	2.1
59.01254	38.4
70.27568	2.2
70.27901	6.4
71.01247	22.1
71.82119	2.5
72.99216	2.6
83.01273	3.9
84.96239	2.0
85.02825	6.2
89.02313	15.5
89.08453	2.5
96.95888	4.4
101.02298	16.1
105.24662	2.3
113.02319	7.2
119.03367	8.8
127.11169	3.6
130.57961	2.6
136.07558	2.3
146.91440	2.2
157.12248	15.0
181.56583	2.6
185.11559	2.5
187.13359	2.5
197.33800	2.2
203.12837	43.9
259.14493	2.5
365.18127	100.0
366.18454	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	365.2465
Annotation	Unknow
Peak:m/z	Relative Intensity
58.31161	47.3
59.01252	100.0
59.68042	38.5
71.53300	52.8
160.73201	47.0
183.48778	42.4
193.71683	41.1
253.17349	45.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2695
Annotation	(+)-Plumosol
Peak:m/z	Relative Intensity
51.14904	0.4
51.42538	0.4
59.01244	1.2
70.86171	0.8
85.06457	3.0
165.12740	0.4
199.13304	1.9
251.20087	0.6
261.18561	1.1
279.19641	17.6
280.20056	1.7
283.26282	0.7
347.25885	6.4
348.26123	0.7
363.25488	1.1
365.26941	100.0
366.27283	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	365.2696
Annotation	Unknow
Peak:m/z	Relative Intensity
54.34895	0.3
59.01244	1.3
70.10644	0.5
71.01235	0.3
85.06452	2.6
85.78752	0.3
86.01340	0.3
98.20559	0.4
103.25333	0.3
112.44566	0.4
199.13300	3.4
219.17477	0.5
220.44211	0.4
261.18643	0.8
279.19669	16.5
280.20001	1.5
347.25922	6.5
348.26279	0.8
363.25375	0.8
365.26956	100.0
366.27313	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	367.1528
Annotation	Unknow
Peak:m/z	Relative Intensity
50.38642	1.3
57.03332	2.3
59.01245	5.6
61.98706	1.5
64.75495	1.2
67.76895	1.2
69.03336	1.8
71.01262	9.2
71.53313	1.9
72.99168	2.0
73.02812	2.1
77.39937	1.3
77.40394	1.3
83.01279	2.2
83.04915	1.6
85.02825	9.8
99.00770	4.2
101.02316	2.0
111.00723	1.1
113.02332	2.1
117.03401	1.3
119.04909	3.0
121.06498	4.2
127.00301	2.0
129.01807	5.2
131.03387	6.0
134.03647	6.5
140.27220	1.2
147.08066	2.9
149.06018	2.9
149.09659	1.4
160.01610	1.6
160.08797	2.3
161.09581	2.7
162.06763	3.8
163.03952	1.8
163.11214	12.0
171.07973	1.5
173.00813	3.9
175.03973	2.5
175.11198	27.3
177.12819	1.8
187.11212	9.8
189.00337	1.7
189.09171	1.6
193.05006	4.7
205.12273	100.0
206.12560	6.1
378.70419	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1655
Annotation	Unknow
Peak:m/z	Relative Intensity
52.51591	4.8
59.01256	43.4
61.98711	6.8
66.13716	5.0
68.58228	5.3
71.01256	14.4
71.53355	5.7
73.60129	5.1
78.38429	5.6
80.99004	5.2
88.92588	5.1
92.33288	5.5
101.71459	5.7
124.89596	5.8
149.06001	35.6
166.82898	6.1
179.42548	5.7
192.37656	6.3
193.08464	10.2
222.08702	65.8
223.09505	35.7
228.45030	5.6
254.07677	10.4
256.13724	5.8
258.05099	17.1
262.11813	8.5
278.96179	5.3
291.19904	7.2
291.43756	6.5
297.40857	5.3
307.10168	9.9
309.20758	31.4
313.17917	7.3
331.18918	100.0
332.19290	8.4
351.05447	11.4
367.08768	16.5
367.16342	20.3
367.20511	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	367.176
Annotation	Unknow
Peak:m/z	Relative Intensity
53.08395	0.7
55.01756	2.1
56.90261	0.6
57.03324	4.2
58.00452	1.0
59.01252	19.4
59.40814	0.6
68.99680	0.8
69.17766	1.0
69.18165	5.3
71.01254	47.3
72.99177	2.0
73.02822	13.4
75.00703	0.8
81.03369	0.8
83.01259	5.0
85.02824	20.0
85.99969	0.8
87.00753	14.0
89.02315	11.7
95.01257	3.3
95.57236	0.7
96.95879	6.6
99.00768	5.3
101.02325	24.1
108.02101	0.6
111.00781	1.4
113.02334	18.4
119.03413	3.8
119.04899	3.4
123.04449	1.0
123.08054	0.8
125.02313	0.9
129.01826	1.9
143.03432	1.4
149.09593	4.4
159.02911	4.1
159.08058	1.0
160.08763	0.8
161.04465	15.8
161.09633	1.9
162.06851	0.7
173.09639	2.6
175.11198	10.7
176.11569	0.7
177.09171	1.8
177.12779	6.1
185.09723	0.7
187.11195	7.3
189.09171	1.1
191.10806	1.2
203.10716	2.1
204.11493	17.0
205.03506	1.3
205.12282	100.0
206.12607	7.8
219.10271	1.8
229.12355	3.6
247.13370	6.8
259.13425	2.3
277.14471	1.4
367.10739	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	369.1342
Annotation	Fragransol D
Peak:m/z	Relative Intensity
55.01766	4.0
59.01253	17.0
59.53118	2.1
61.98690	2.3
69.03329	77.2
71.01250	10.2
71.53362	2.3
72.69170	1.7
72.99178	2.4
73.02821	3.9
76.36460	1.6
78.79425	1.7
83.01309	2.9
95.01270	4.5
97.02832	15.0
99.00753	18.6
101.02334	6.0
107.04895	2.4
108.10575	2.1
111.00781	2.5
113.02311	4.4
123.00761	1.8
132.02046	5.9
141.01852	4.4
146.03700	4.1
160.01512	9.2
164.04773	2.9
165.09103	13.8
179.07040	7.3
185.00841	32.6
203.07135	2.8
211.07635	2.7
216.07841	1.9
222.06685	2.2
223.07648	2.5
225.05438	4.2
226.06230	2.4
237.05463	2.1
240.07874	11.5
243.06570	10.5
244.07390	7.4
250.06407	2.7
251.07126	5.1
252.08002	3.1
255.10324	4.4
262.06265	3.0
263.07071	3.8
267.06625	3.0
267.10236	3.0
268.07382	20.0
279.06604	4.8
280.07449	18.9
281.07971	2.9
283.09824	15.7
291.06705	2.1
293.08221	5.1
295.06085	2.7
296.06909	12.2
307.05936	4.2
308.06863	18.7
309.07596	17.3
310.08008	2.8
311.09177	11.0
321.07684	5.7
322.08331	10.2
323.09195	34.4
324.06296	19.1
324.09937	15.5
325.10513	2.4
337.10818	10.0
338.11612	24.5
339.08722	100.0
339.12302	9.5
340.09024	10.7
353.10287	7.9
354.11050	76.3
355.11514	9.7
369.13437	63.4
370.13821	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	369.1552
Annotation	Unknow
Peak:m/z	Relative Intensity
51.98633	0.8
55.01754	1.3
57.03315	2.0
58.00466	2.3
59.01250	61.7
60.01591	1.0
69.03344	1.1
71.01253	24.9
71.08378	1.2
71.08708	1.1
72.01580	1.4
72.99191	2.1
73.02821	7.7
83.01265	5.5
85.02821	11.6
87.00758	4.4
89.02312	15.5
95.01267	3.1
98.20033	0.8
99.00747	2.2
101.02322	20.7
113.02319	11.9
119.03394	5.6
121.02834	7.9
130.04190	1.2
135.08031	1.7
136.78793	0.9
141.64310	0.8
143.03447	1.1
147.08061	2.8
149.09622	13.1
161.09540	3.9
163.07520	4.0
163.11255	1.1
164.08249	1.0
165.09117	92.6
166.09415	4.1
173.09682	1.4
176.08319	1.0
179.10701	1.7
189.09120	13.3
190.09494	1.0
191.10724	7.3
201.09216	1.2
203.10704	1.4
207.10202	9.1
215.10739	3.2
219.10252	1.9
231.10289	1.4
241.79312	0.9
243.10298	2.7
249.00853	0.8
249.11238	2.0
291.12387	3.7
309.13425	60.6
310.13745	6.8
327.14468	100.0
328.14734	8.6
336.43903	0.9
339.08774	1.3
369.15591	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	369.1554
Annotation	Unknow
Peak:m/z	Relative Intensity
52.18230	2.8
53.34672	2.5
57.03325	4.1
59.00949	5.3
59.01249	100.0
60.33813	2.6
71.01255	61.9
71.53871	5.2
72.99170	2.8
73.02816	64.6
78.95801	3.2
83.01250	23.5
85.02826	5.4
89.02317	11.3
95.01327	2.7
101.02326	56.3
113.02348	11.4
131.03386	6.0
143.03419	3.0
147.08000	2.9
150.27368	3.2
155.03497	3.5
161.04469	10.1
165.09132	7.7
207.13768	3.9
268.07462	5.5
296.06982	3.4
311.09283	6.5
339.08762	15.3
354.10977	8.8
369.13452	11.1
369.23056	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	369.1554
Annotation	Unknow
Peak:m/z	Relative Intensity
50.15575	1.3
50.94659	1.5
54.05148	1.4
55.01759	1.7
57.03331	2.8
58.00472	3.5
59.01250	100.0
60.01592	2.6
60.83892	1.5
69.03317	1.6
71.01250	61.6
72.99172	3.7
73.02821	23.5
73.50118	1.2
83.01260	10.4
85.02829	21.8
87.00771	5.5
88.08472	1.2
89.02318	30.6
95.01262	4.7
97.02859	1.3
99.00787	2.8
101.02323	33.4
113.02328	34.9
113.03067	2.3
119.03377	14.3
129.25949	1.6
129.28241	1.4
131.03384	1.7
135.08057	15.5
136.08392	2.1
137.09642	4.6
143.03378	2.5
147.08060	37.2
147.09152	2.5
148.08391	2.6
149.04466	1.6
151.11240	1.5
161.04474	3.4
165.09105	12.1
166.09576	1.3
172.91772	1.5
179.05495	1.8
207.13821	2.3
309.13449	48.7
310.13748	4.8
311.09186	2.2
323.09393	2.5
327.14468	28.6
327.18149	2.4
328.15024	4.5
339.08798	7.7
340.09271	2.0
354.11111	3.9
369.13550	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	369.1553
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01752	0.7
59.01250	9.3
66.51463	0.4
69.55308	2.6
71.01257	4.8
73.02810	1.3
83.01255	1.1
85.02821	3.9
87.04412	0.9
89.02316	0.5
97.02834	0.5
98.19724	0.5
99.00761	1.0
100.50704	0.5
101.02331	2.0
101.59502	0.4
107.48407	0.5
109.02835	2.6
111.00803	1.0
111.04415	2.7
113.02369	3.0
113.03028	0.5
113.05962	2.0
118.28002	0.5
121.02854	0.6
122.03613	3.4
125.02326	1.1
125.09604	1.3
134.03639	3.3
134.29176	0.5
135.08041	2.8
136.01558	1.4
136.05188	0.7
137.05988	2.4
141.09137	1.5
148.05150	0.8
149.05984	26.4
150.06508	1.4
151.07550	7.5
154.02661	0.9
161.04456	1.2
161.05949	1.1
163.07532	1.0
164.04752	2.8
164.08339	100.0
165.09096	20.9
166.09450	1.5
166.99709	0.5
169.08641	1.6
179.07079	9.7
207.10220	2.0
223.06131	0.6
225.15018	0.7
309.13498	1.2
369.15207	0.7
369.19226	1.7
370.19171	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.0982
Annotation	Cycloshermilamine D
Peak:m/z	Relative Intensity
57.03330	2.8
59.01249	18.6
59.68179	1.3
69.76431	7.7
69.76731	1.4
71.01258	15.7
72.99172	5.1
75.00749	14.8
78.22815	1.3
84.37159	1.6
85.02818	23.6
85.03292	2.2
87.00745	8.6
89.02311	5.5
90.79064	1.4
93.93916	1.7
95.01266	6.2
98.20506	3.0
99.00761	7.0
103.00262	3.4
113.02333	27.7
115.00243	1.7
117.01851	3.4
121.02841	100.0
122.03350	1.7
123.43488	1.6
129.01730	2.2
137.40468	1.8
149.02327	7.0
150.03125	30.3
165.05475	34.0
166.05902	2.4
175.02399	3.9
209.04475	3.6
223.90613	1.7
231.05176	4.0
233.36844	1.5
249.06155	26.5
250.06500	1.7
353.08713	2.1
361.83057	1.6
371.09808	60.1
372.10217	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	371.0983
Annotation	Unknow
Peak:m/z	Relative Intensity
51.03903	1.8
57.03316	3.0
59.01251	20.7
69.03312	1.9
70.82781	2.4
71.01252	20.1
72.99167	3.5
73.02832	1.9
75.00756	19.3
81.03370	2.3
83.01271	3.6
85.02840	16.5
87.00729	9.5
89.02283	4.7
93.03329	2.0
95.01276	3.5
99.00775	11.3
113.02331	27.7
113.73733	1.8
115.00244	2.7
117.01803	3.5
121.02847	100.0
122.03145	4.2
129.01825	3.3
193.03748	2.5
196.79314	2.4
210.91362	2.0
231.05009	6.8
249.06125	63.3
250.06577	2.6
273.72595	1.9
347.96674	2.2
371.09808	46.2
372.10077	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	371.0981
Annotation	Deacetyl asperuloside
Peak:m/z	Relative Intensity
59.01235	16.3
85.02813	6.3
95.66658	4.9
106.14838	4.5
106.15673	4.5
110.64093	5.4
125.91122	4.9
149.02341	7.5
150.03128	100.0
151.03395	6.8
154.41537	6.0
164.53351	4.9
165.05467	41.6
176.00970	9.3
191.03369	16.2
209.04575	31.5
240.45624	5.0
276.97513	5.4
371.09778	5.8
390.06946	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	371.1345
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01751	2.3
57.03301	3.8
59.01247	100.0
66.33112	2.6
69.97384	2.0
71.01252	62.9
71.33339	2.7
72.99174	5.3
73.02820	30.2
75.00746	12.1
78.09631	2.1
78.48199	2.2
83.01261	11.0
83.20785	2.0
85.02822	25.2
87.00751	6.7
89.02312	20.5
95.01244	5.8
99.00758	9.5
101.02316	29.9
113.02331	39.1
114.02651	2.3
116.45263	2.2
117.01809	2.8
117.03641	2.0
118.58724	2.0
119.03371	6.6
121.02836	49.0
127.20154	1.8
134.03615	24.5
149.02338	3.2
149.05986	25.8
161.04434	4.4
176.01106	3.4
178.19864	2.0
191.03427	3.5
206.23598	2.3
231.04965	3.1
249.06134	32.4
311.11313	9.5
329.12323	3.1
371.09827	24.1
372.09958	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1348
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	100.0
59.44861	1.3
66.95200	1.4
70.27754	1.8
70.28101	4.3
71.01243	6.0
72.99188	2.5
73.02799	1.9
74.02351	1.3
75.00743	5.0
85.02839	7.1
87.00756	2.5
87.05513	2.6
89.02331	2.6
95.18116	1.5
99.00760	4.1
101.02295	2.5
101.81682	1.7
113.02327	6.7
117.01826	1.5
121.02851	31.5
122.03149	1.6
129.01817	1.4
130.08644	6.6
142.21388	1.3
143.11781	2.3
159.32857	1.9
159.68893	1.5
164.21790	1.5
167.48065	1.5
231.72508	1.9
249.06143	21.8
308.05420	1.6
371.09879	16.5
371.22900	7.6
372.21585	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	371.1711
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01259	70.0
71.01259	23.7
75.00748	20.9
75.40472	8.4
85.02833	10.2
88.73770	10.5
94.93589	10.6
98.20556	25.2
119.86122	9.0
121.02840	13.6
126.28722	9.7
165.79697	9.9
167.10657	100.0
229.21913	12.0
321.24966	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	372.2027
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	37.3
61.98697	100.0
71.53711	13.6
71.54073	15.5
84.58672	13.5
86.63842	11.3
191.49828	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	372.2027
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01246	32.6
61.98694	23.3
65.01427	8.6
69.18721	100.0
88.56873	10.7
98.20188	54.9
112.50414	8.7
112.52650	10.8
114.82049	8.8
146.75029	9.6
147.39513	10.3
281.43088	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	373.1142
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01253	100.0
69.19407	20.1
71.01246	7.2
73.02805	2.2
74.09588	2.1
75.00729	2.0
78.92657	2.2
85.02803	2.1
85.53851	1.9
91.01747	2.9
93.03330	3.4
101.02341	4.4
108.53156	2.5
119.01322	2.6
121.02824	7.2
124.01647	1.9
126.39362	1.8
130.08592	2.6
136.01529	2.0
137.02328	3.0
149.89034	1.9
151.03917	52.7
152.04233	2.4
161.04509	3.1
315.20609	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	373.1866
Annotation	Rosiridoside C
Peak:m/z	Relative Intensity
55.01758	1.3
57.03320	1.1
58.00468	0.6
59.01250	100.0
60.01587	1.0
69.03344	0.4
69.18922	2.1
71.01254	24.8
71.04884	0.4
72.01598	0.3
72.99201	0.6
73.02819	8.1
75.00764	0.5
81.03348	0.4
83.01254	3.6
84.02052	0.3
85.02820	10.3
86.03162	0.3
87.00742	1.1
87.04404	0.5
89.02315	5.2
89.02829	0.4
92.23466	0.2
95.01276	1.9
97.02854	0.7
97.06463	1.3
99.00754	2.9
101.02319	16.4
102.02682	0.4
111.00758	0.4
113.02328	9.8
115.03917	0.4
118.72198	0.2
119.03374	1.7
125.02377	0.6
129.01846	0.3
130.51653	0.2
143.03392	1.3
151.11176	1.2
159.02927	1.8
161.04462	12.3
162.04897	0.5
179.05621	0.6
203.05499	0.4
205.03511	0.4
212.67964	0.2
233.10391	1.1
259.58084	0.2
273.98062	0.3
275.48529	0.2
313.16690	0.7
331.17606	16.8
332.17923	1.7
366.56915	0.2
373.18637	0.6
373.26172	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1867
Annotation	Unknow
Peak:m/z	Relative Intensity
56.00293	0.2
57.03300	0.3
59.01251	100.0
60.01582	1.1
71.01257	4.5
71.33659	0.2
72.99199	0.3
73.02812	1.2
73.27180	0.2
83.01279	0.7
84.01990	0.2
85.02825	1.6
87.00764	0.2
87.52834	0.2
89.02310	2.2
95.01244	0.4
99.00777	0.4
101.02325	2.1
111.34970	0.2
113.02338	1.7
119.03416	0.8
122.06023	0.2
123.16636	0.2
125.02359	0.3
135.04349	0.2
149.02489	0.2
152.07109	0.2
159.02922	0.2
161.04538	0.6
162.05518	0.2
170.67801	0.2
179.05634	0.3
193.04892	0.2
266.19165	0.2
266.41553	0.2
331.17789	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1868
Annotation	Rosiridoside C
Peak:m/z	Relative Intensity
55.01756	0.3
57.03322	0.4
58.00481	0.2
59.01251	100.0
60.01590	1.0
67.40423	0.1
71.01255	5.5
71.33457	0.2
72.99225	0.2
73.02815	1.9
77.53662	0.1
83.01270	0.7
85.02827	2.6
87.00763	0.3
89.02322	1.7
95.01276	0.5
95.15042	0.2
99.00766	0.5
101.02321	2.7
113.02340	2.5
114.02658	0.1
119.03434	0.5
120.99567	0.4
143.03445	0.3
144.23653	0.1
159.02928	0.2
161.04477	1.7
180.21901	0.1
215.04803	0.1
313.16699	0.2
331.17587	1.0
332.18091	0.3
373.18658	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1866
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03326	0.5
57.78735	0.3
58.00462	0.3
59.01250	100.0
60.01591	1.1
71.01250	8.2
71.01614	0.6
71.16872	0.3
71.17207	0.4
72.99169	0.6
73.02816	4.4
83.01278	1.4
85.02831	1.4
85.46944	0.4
85.98840	0.3
89.02315	4.2
95.01279	0.4
101.02322	4.8
113.02328	2.5
114.43640	0.3
119.03406	1.2
131.03398	0.4
142.77454	0.4
143.03391	0.5
161.04451	1.5
223.03999	0.3
331.17590	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1866
Annotation	Unknow
Peak:m/z	Relative Intensity
54.88147	0.4
57.03319	0.5
58.00473	0.8
59.01249	100.0
60.01586	1.2
62.38310	0.4
64.85946	0.4
69.47420	3.1
71.01253	21.3
71.04918	0.4
72.99184	1.3
73.02813	10.3
75.00752	0.8
83.01254	3.5
85.02811	5.9
87.00763	1.3
89.01760	0.7
89.02312	13.8
89.02827	0.9
95.01275	1.0
97.02858	0.6
99.00769	0.5
101.02321	15.2
101.77496	0.4
113.02325	7.7
115.49873	0.5
119.03396	5.9
125.02343	0.4
131.03401	0.9
143.03424	1.9
149.04482	1.1
161.04485	3.9
179.05530	3.2
241.58842	0.4
311.10385	0.8
313.16449	0.4
331.17642	7.9
331.21347	0.6
337.73703	0.5
343.13129	1.0
362.96655	0.7
373.13663	0.7
373.26031	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1869
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01737	0.6
57.03312	0.7
58.00477	0.6
59.01250	100.0
69.79373	0.6
71.01253	14.2
72.99199	0.8
73.02821	6.4
73.27346	0.7
83.01269	2.1
85.02820	6.1
87.00745	0.9
89.02308	4.9
95.01273	1.1
99.00782	1.5
101.02325	9.9
113.02341	5.6
119.03398	1.4
151.04028	0.6
161.04465	6.1
179.05673	0.6
193.23132	0.6
329.27014	0.8
331.17642	4.8
343.15436	0.5
373.13013	0.7
373.17996	0.7
373.26242	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1998
Annotation	Unknow
Peak:m/z	Relative Intensity
53.40361	0.4
57.01390	0.5
57.08796	0.4
58.01552	0.5
58.79596	0.4
59.01255	13.4
61.98706	0.6
63.40330	0.4
63.96124	0.5
63.99634	0.4
66.46645	0.5
69.23071	2.7
69.23483	1.6
74.81432	0.5
78.98462	0.5
93.03329	2.7
95.04925	0.5
96.16720	0.5
96.41955	0.5
104.12244	0.5
107.06374	0.5
133.93069	0.4
148.08781	0.9
150.10402	1.4
151.11153	0.7
163.11198	1.4
165.12772	22.6
166.13110	1.3
175.11272	0.8
176.11858	0.6
177.12691	0.7
191.14326	0.8
206.70558	0.5
217.15907	0.6
222.98460	0.6
239.73424	0.6
244.10777	3.9
245.19211	0.6
247.20660	11.9
248.21036	1.0
273.18652	6.3
291.19669	100.0
292.16867	0.8
292.20013	11.4
295.16644	0.7
313.14398	0.9
313.17877	12.7
314.18246	1.6
349.62045	0.7
373.19992	10.6
374.20383	1.5
393.36447	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1993
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12827	1.0
53.15928	0.9
54.44837	0.8
56.81745	0.9
57.03312	2.1
59.01250	18.7
61.98684	1.0
69.24139	8.1
77.05647	1.0
77.64855	0.9
77.73704	0.8
93.03341	2.1
93.07014	1.4
97.06455	1.8
98.20568	2.2
98.34574	1.1
121.10126	15.2
123.08032	1.6
125.09608	5.9
141.12688	1.8
147.08057	1.5
148.63115	1.0
185.11751	12.7
197.11732	3.4
206.98405	1.1
207.09901	4.1
209.07903	1.5
211.13333	1.7
223.13191	0.9
245.19095	9.2
275.32108	0.9
291.19672	67.4
292.19986	7.4
295.16730	1.3
311.16315	2.1
313.17853	100.0
314.18170	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	374.2445
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01255	1.6
61.98684	0.2
69.94691	0.5
69.95091	0.3
74.64314	0.1
82.97232	0.1
100.07568	0.2
101.05952	1.1
102.04431	0.1
112.15402	0.1
124.07614	0.7
129.59390	0.1
149.07040	0.2
165.10345	0.2
189.10294	0.3
205.12234	0.4
217.00375	0.2
232.10875	10.4
233.11168	0.6
260.10403	0.2
272.17609	0.2
276.09842	0.3
289.17941	1.6
289.20764	0.2
290.18784	3.0
315.20905	0.2
316.16666	1.6
317.17032	0.2
318.18143	0.5
358.21405	1.0
366.46860	0.1
374.24466	100.0
375.24796	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	375.166
Annotation	Unknow
Peak:m/z	Relative Intensity
53.06082	1.4
57.03297	1.7
58.00465	4.4
59.01250	100.0
60.01585	3.1
70.86954	3.3
71.01254	41.3
72.99168	6.3
73.02822	3.0
83.01234	3.5
85.02831	8.9
87.00780	2.6
89.02319	47.5
94.12089	1.5
95.01254	3.4
95.04917	3.8
97.06481	2.6
99.00770	2.0
101.02325	27.1
107.04903	4.9
113.02338	15.9
115.07539	4.1
119.03381	18.2
125.02319	1.9
125.09605	2.0
125.72907	1.8
138.21397	1.4
139.11197	3.6
143.03386	2.4
149.09605	2.2
151.11185	46.2
153.12735	1.8
164.08296	2.0
169.12236	4.2
177.09088	5.7
179.05452	2.2
185.11708	3.8
193.12251	4.7
195.10196	67.4
196.10509	3.1
211.13255	4.5
213.11281	12.8
320.07751	1.6
375.16373	3.3
375.24011	2.6
389.10147	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1787
Annotation	Unknow
Peak:m/z	Relative Intensity
53.50161	0.7
59.01251	10.8
61.98714	1.1
69.21988	5.5
71.01250	11.2
99.92502	0.7
121.02868	0.8
127.07548	1.7
135.73608	0.6
148.05276	1.1
153.01648	0.7
164.08353	1.4
164.31282	0.8
177.09126	4.4
190.09949	1.6
192.11508	6.9
193.11995	1.1
205.12297	3.7
207.13860	2.1
217.00230	2.0
218.09477	2.3
220.14642	42.8
221.15413	100.0
222.15781	8.2
235.13406	1.8
236.10507	91.9
237.10869	8.5
271.06903	0.7
275.16583	1.1
278.97678	0.7
293.17584	42.7
294.17862	4.2
301.23746	1.9
318.09622	4.7
321.15665	1.1
375.17828	6.4
376.18228	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1847
Annotation	Unknow
Peak:m/z	Relative Intensity
52.53961	3.1
55.10230	2.9
59.01196	3.0
61.65689	2.6
63.40775	2.6
70.85184	3.1
70.85506	3.5
83.70943	2.4
85.58900	2.6
159.08333	9.8
160.93521	2.5
191.23991	2.5
197.54828	3.0
247.72978	3.1
248.61537	3.3
254.23761	3.1
287.08328	2.7
291.09085	100.0
292.09116	11.3
357.13678	4.1
359.15329	99.0
360.15549	19.1
360.19516	2.9
375.18378	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	375.1846
Annotation	Unknow
Peak:m/z	Relative Intensity
66.62488	0.9
70.10462	3.0
74.98942	1.6
92.99994	1.4
94.33846	0.9
96.49361	1.0
100.82462	0.9
102.50063	1.0
149.00870	1.1
159.08363	8.8
161.06308	4.0
165.81415	1.0
193.35844	0.9
209.01256	2.6
217.07195	1.6
244.35327	0.9
275.05960	1.8
277.07437	3.1
289.07520	1.6
291.09091	96.0
292.09174	14.3
321.74057	1.0
357.13721	1.3
359.15329	100.0
360.15469	18.7
375.18539	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	375.2024
Annotation	Unknow
Peak:m/z	Relative Intensity
50.56603	1.0
59.01249	100.0
60.01585	1.2
61.98702	2.1
69.67419	1.1
71.01244	2.4
71.53497	1.4
73.02814	1.7
75.20864	1.3
89.36375	1.3
100.26411	1.2
101.02331	2.8
113.02322	1.6
161.04466	3.5
203.54161	1.3
217.00240	3.8
232.60829	1.3
252.64386	1.3
265.28857	1.1
368.94946	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.2023
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	100.0
60.01579	1.1
61.45767	0.4
69.82484	1.5
69.82892	0.8
71.01257	3.4
73.02817	0.9
85.02847	1.1
89.02328	0.5
95.01240	0.4
98.20094	1.0
101.02361	1.5
113.02338	1.1
130.17464	0.5
149.02336	0.6
161.04460	2.3
162.69116	0.5
167.90591	0.4
315.18277	0.7
395.51785	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.2151
Annotation	Unknow
Peak:m/z	Relative Intensity
57.55516	1.7
59.01249	50.0
71.01259	2.5
71.27556	1.9
71.45334	4.2
73.25751	1.7
95.04896	11.8
120.72687	1.7
121.10126	30.4
122.10461	2.1
138.96242	1.8
171.10181	65.0
171.11641	3.7
172.10481	3.6
177.24796	1.8
195.13666	2.7
223.13449	2.4
231.21126	7.6
246.12381	2.9
270.52328	1.9
275.20154	100.0
276.20474	8.1
278.11334	26.2
285.64328	2.0
286.49176	2.0
293.21225	98.8
294.21457	8.6
306.97202	2.1
313.17609	2.2
315.19403	50.8
316.19678	2.6
359.18353	7.2
375.21362	35.2
376.21390	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	376.1738
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	1.6
61.98700	100.0
70.50769	0.6
71.68720	0.5
97.39034	0.4
123.95415	0.5
154.56319	0.5
163.99431	0.5
291.19760	1.1
293.01843	0.5
322.89658	0.5
363.02872	0.5
370.25397	0.7
376.17358	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	376.1738
Annotation	Unknow
Peak:m/z	Relative Intensity
54.77018	0.4
55.82896	0.4
59.01247	0.9
59.53949	0.3
61.98702	100.0
71.53814	0.4
77.96253	0.4
85.83952	0.4
107.18147	0.4
179.26321	0.4
253.09093	0.4
313.18024	0.5
323.30396	0.4
376.17587	1.3
377.27237	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.0856
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14467	3.9
50.38519	3.4
50.79846	3.4
51.64918	4.0
52.38119	3.4
59.01260	33.8
62.04242	4.0
69.75840	3.7
70.65607	5.2
70.65955	8.8
71.01246	20.7
73.02814	4.5
79.77476	3.8
85.02821	6.2
87.00749	4.7
89.02317	35.1
91.83903	3.8
101.02338	13.9
113.02348	10.4
119.03391	11.8
161.71045	4.2
165.12993	4.0
179.05585	14.6
213.07961	4.2
215.03238	17.2
341.10886	100.0
342.11258	9.1
377.08594	59.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.1453
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01757	1.4
57.03324	100.0
58.03654	2.2
59.01251	91.9
64.01906	1.1
66.42320	0.9
66.91373	1.1
71.01253	29.1
71.08385	1.3
71.08698	1.3
72.99197	1.1
73.02818	9.7
76.54388	1.1
77.99016	1.0
83.01240	3.6
85.02830	12.8
87.00772	1.5
89.02319	4.1
95.01250	2.9
99.00751	4.0
99.04398	81.1
100.04707	2.2
101.02323	37.9
111.00732	2.3
113.02339	10.7
125.02330	24.5
138.21591	1.0
143.03404	1.1
159.02887	3.0
161.04448	9.6
163.97253	1.1
233.10258	38.6
234.10599	1.9
257.12827	2.8
275.11340	1.9
344.03622	1.0
359.08575	1.1
377.13785	1.8
377.18515	18.1
397.57788	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.1819
Annotation	Unknow
Peak:m/z	Relative Intensity
50.80219	0.7
55.01741	0.9
57.03329	1.0
59.01255	26.6
70.67110	2.2
71.01262	19.8
72.99185	1.0
73.02831	6.7
75.59167	0.9
79.46383	0.8
82.46917	0.9
83.01264	2.1
85.02835	8.4
87.00742	2.7
87.04397	3.4
89.02322	10.2
95.01260	2.1
99.00756	1.5
101.02338	14.5
113.02333	7.6
119.03425	4.3
127.07550	9.9
135.11618	1.0
155.10632	1.5
159.02991	1.0
161.04590	1.4
179.05594	1.1
179.63078	1.0
197.09744	0.8
197.11732	3.3
202.19832	0.9
210.85771	1.0
215.12857	3.6
341.11148	1.3
359.17184	1.4
377.18164	100.0
378.18573	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	377.1818
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01765	0.9
58.00480	1.2
59.00953	1.3
59.01251	25.2
69.76184	1.5
69.76578	1.3
71.01254	19.4
71.69688	0.6
72.99174	2.3
73.02819	100.0
74.03156	1.6
74.31906	0.6
82.93832	0.6
83.01257	1.4
85.02818	4.8
86.09492	0.6
87.00764	1.3
89.02315	19.8
95.01245	1.4
101.02318	12.2
111.00800	1.9
113.02325	9.1
119.03381	10.7
123.07986	0.7
131.03386	0.9
143.03421	1.9
144.20808	0.6
149.04422	0.9
153.09128	0.8
159.02899	0.6
161.04475	2.3
179.05547	4.1
191.63222	0.7
215.09181	3.3
215.12900	0.9
254.94714	0.6
303.14548	2.5
359.17075	1.6
377.14468	3.9
377.18176	85.5
378.18442	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	377.1817
Annotation	Unknow
Peak:m/z	Relative Intensity
51.21811	1.0
59.01252	20.0
69.03368	1.1
71.01254	13.4
71.53287	1.4
72.99163	1.8
73.02818	6.4
77.89740	1.5
83.01262	2.4
85.02811	6.4
87.00742	4.8
87.04418	1.9
89.02317	9.2
95.01262	1.2
99.00739	1.3
99.36954	1.1
101.02312	11.4
113.02314	5.0
119.03391	3.5
122.73129	1.1
127.07540	5.0
147.73889	1.2
161.04501	2.2
165.05426	2.0
197.11693	1.9
215.12820	3.9
219.86203	1.1
257.22855	1.2
359.16736	1.7
377.18130	100.0
378.18442	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	377.1818
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	41.2
61.98703	4.6
71.00903	3.6
71.01258	38.9
71.53017	3.6
71.53442	4.2
73.02815	13.2
75.00774	3.2
80.97486	3.2
83.01244	5.1
85.02823	21.9
87.00730	8.0
89.02312	11.6
89.84071	3.8
95.01266	4.3
99.00771	4.0
99.46655	3.1
101.02335	30.8
103.64146	3.4
106.12573	3.9
113.02307	22.0
113.05937	14.7
116.04915	14.6
116.36555	3.3
119.03354	6.4
129.01764	5.2
131.71803	3.3
146.05989	4.6
159.02936	3.1
160.03906	5.9
161.04613	6.9
197.11769	4.6
204.28113	3.5
205.03737	18.7
281.08884	4.8
287.04654	3.5
336.10898	3.5
345.10849	12.0
377.14374	7.6
377.18195	100.0
378.11774	15.4
378.18549	6.9
385.59744	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	377.2308
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	24.8
61.98698	2.4
71.35911	1.1
71.53064	1.6
88.52562	1.1
95.04928	1.4
103.70448	1.2
171.10176	31.7
172.10471	2.2
249.22148	2.0
265.14810	1.4
277.21704	37.0
278.21948	3.6
295.22772	100.0
296.23166	12.7
317.20990	30.8
318.21268	3.1
335.20810	1.7
341.10779	1.9
361.19870	5.2
377.22852	20.1
378.23022	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	378.1532
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	2.9
61.98701	100.0
62.90174	0.9
69.25290	1.0
70.68559	1.2
70.68866	1.0
71.01244	6.2
84.95265	0.8
101.97968	5.8
111.72373	0.9
112.31821	1.0
155.99017	2.8
164.08305	1.2
177.09087	2.3
192.11517	4.2
200.95972	1.0
205.12405	2.3
209.98668	1.0
218.09297	1.3
219.97620	1.1
220.14635	39.6
221.15408	59.2
222.15717	3.7
231.17529	1.4
233.01013	0.9
236.10493	46.1
237.11002	3.2
275.16489	5.3
293.17590	9.6
305.12445	4.3
306.13138	2.5
360.14172	5.1
378.15308	47.3
379.15723	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	378.1897
Annotation	Unknow
Peak:m/z	Relative Intensity
58.55635	0.4
59.01251	1.1
61.98701	100.0
71.53660	0.5
73.49931	0.4
97.52005	0.4
126.67111	0.5
148.66019	0.5
169.62132	0.4
188.71484	0.5
202.19772	0.4
219.97636	0.5
276.95172	0.5
341.09857	1.2
378.18918	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	379.161
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01761	1.0
57.03326	100.0
58.03665	1.8
59.01252	77.4
71.01254	16.3
71.01616	1.3
71.04927	0.7
73.02831	6.8
81.03338	1.5
83.01266	3.6
85.02825	9.4
87.00743	1.2
89.02341	2.7
95.01276	1.4
97.88557	0.8
98.50284	0.8
99.00769	2.7
99.04398	77.7
100.04731	2.1
101.02325	33.8
104.05174	0.8
113.02348	6.2
119.03416	1.6
125.02345	18.6
129.01826	1.0
143.03418	2.7
153.42348	0.7
155.10687	4.0
159.02965	1.5
161.04491	6.3
171.10181	2.1
199.09772	1.1
210.95930	0.8
213.11247	1.0
217.10800	6.3
225.10367	0.8
235.11830	32.9
236.12204	1.4
259.11804	0.9
277.12903	1.6
294.51572	0.8
317.16058	1.7
379.15704	9.8
379.19632	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	379.1609
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01756	2.0
57.03324	100.0
58.00492	1.0
58.03661	1.2
59.01250	71.9
60.01593	1.0
69.03326	27.2
69.21983	1.8
69.22393	6.0
71.01259	12.0
73.02831	6.1
79.01762	0.9
83.01259	4.0
85.02817	7.0
95.01283	1.3
97.02824	5.4
99.00762	10.1
99.04395	67.0
100.04730	1.3
101.02322	30.2
113.02334	6.4
125.02344	18.8
126.02683	1.5
134.03622	1.1
141.01833	1.7
143.03386	1.9
161.04446	6.5
185.00832	11.9
186.01341	1.2
193.05037	1.2
211.51640	1.0
235.11833	35.2
236.12216	2.4
277.12933	2.1
379.06528	1.7
379.15994	3.4
391.96927	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.1609
Annotation	Unknow
Peak:m/z	Relative Intensity
53.50372	1.8
57.03323	100.0
58.03652	2.7
59.01252	93.6
69.03328	5.5
71.01245	19.1
71.09098	3.5
73.02824	6.9
81.03371	3.2
83.01276	2.6
83.54421	1.9
84.90546	1.9
85.02837	8.8
89.02320	3.7
99.00723	5.0
99.04397	80.6
100.04729	2.0
101.02319	33.1
110.24173	2.0
113.02329	9.1
125.02334	20.5
134.03555	2.5
155.10645	2.6
161.04436	6.8
176.04559	3.7
185.00887	4.0
217.10704	4.2
217.14336	2.6
235.11813	35.9
379.15784	2.2
379.20020	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	379.2857
Annotation	Persin
Peak:m/z	Relative Intensity
51.75589	0.9
69.18333	8.6
85.85372	0.9
96.23120	0.9
99.92493	2.7
115.92004	1.0
116.92757	3.5
221.07332	0.9
315.98465	1.0
347.25967	4.7
379.15692	3.1
379.28549	100.0
380.28830	14.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.0829
Annotation	Unknow
Peak:m/z	Relative Intensity
54.84134	1.5
59.01246	4.5
65.00218	2.6
67.01748	2.4
69.06926	1.3
71.53732	1.8
73.02807	11.2
81.96248	1.6
83.01221	2.6
88.46925	1.6
89.03846	2.1
96.95898	2.3
97.02807	5.4
106.52051	1.5
111.00768	26.1
117.03375	9.5
122.68266	1.4
134.03635	90.4
135.03958	5.4
136.98746	1.4
137.02312	2.3
143.03391	25.0
144.03770	1.5
149.05989	6.2
169.01358	17.7
173.04195	1.6
178.02646	6.9
193.04985	100.0
194.05341	5.1
231.57405	1.6
266.11084	1.6
299.02191	1.9
381.14954	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	382.1143
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	11.7
71.01261	9.6
72.99186	1.6
73.02804	1.7
74.91164	1.9
75.00741	21.9
77.57548	1.5
85.02824	3.1
87.00742	17.9
89.02315	6.7
96.95901	1.6
101.02337	7.7
113.02331	4.4
115.05442	5.0
116.04937	2.2
117.46339	1.6
130.06519	8.6
132.04445	25.8
144.04414	1.9
148.56367	2.0
149.02304	2.9
155.61662	1.8
158.06026	100.0
159.06352	4.6
166.13770	1.6
174.05522	3.1
176.07002	1.7
202.05028	43.6
203.05321	3.0
220.06081	7.0
229.33736	2.0
237.06154	6.1
249.06209	11.8
262.07135	3.3
307.82867	1.7
382.11420	51.8
382.16257	3.3
383.11673	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	382.296
Annotation	Unknow
Peak:m/z	Relative Intensity
54.50375	1.3
55.22853	1.1
57.32088	1.3
59.01250	100.0
61.98707	2.0
71.01237	2.1
71.54185	1.6
73.02815	1.5
87.00764	1.6
87.78463	1.2
101.02262	1.9
111.86712	1.5
113.02333	2.9
195.05588	1.4
199.29521	1.3
223.66049	1.3
245.86211	1.5
341.10791	3.1
386.73193	1.2
403.99680	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.0773
Annotation	Decaketide tricyclic intermediate
Peak:m/z	Relative Intensity
54.33749	2.2
59.01249	19.9
61.98698	5.1
71.01251	6.8
71.52317	2.1
77.06924	1.6
83.01229	2.0
85.02850	4.5
87.00763	2.9
89.02309	8.2
101.02320	5.5
102.49474	2.0
113.02320	6.3
119.03374	2.3
121.02840	100.0
122.03178	5.1
123.93506	1.9
124.78712	2.1
133.18970	1.9
146.54051	2.0
149.02200	2.0
161.04491	3.5
162.21454	1.8
179.05545	2.6
181.06467	4.7
191.03403	11.3
225.05476	8.1
243.91789	2.2
251.07169	3.9
295.06091	14.9
301.23685	3.3
311.09256	16.8
313.07156	21.8
314.07397	3.0
323.09811	4.4
339.08716	16.7
341.10876	3.3
383.07785	25.6
384.08392	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	383.1713
Annotation	Artesunate
Peak:m/z	Relative Intensity
51.09748	0.6
52.41228	0.7
55.01758	3.4
57.03325	3.1
58.00474	1.9
59.01253	32.0
70.31551	1.8
71.01254	39.6
72.99174	3.5
73.02817	12.9
75.00743	7.8
83.01256	7.7
85.02822	18.0
85.99976	1.5
87.00759	3.5
89.02318	9.1
95.01270	2.9
97.02822	0.9
98.20107	1.2
99.00734	5.4
101.02323	34.6
102.02685	0.9
107.04926	1.0
111.00773	1.1
113.02332	16.9
119.03399	2.2
121.06464	2.9
121.10137	1.2
123.04395	2.3
126.24926	0.7
127.00240	4.6
128.44092	0.6
129.01823	5.3
137.09627	35.0
138.09966	2.0
143.03415	1.1
147.08081	3.4
159.02925	1.6
161.04439	4.7
161.09624	1.2
163.07549	2.3
163.11198	61.7
164.11563	3.4
171.07878	0.6
173.09677	1.2
175.11221	1.4
175.62970	0.7
179.10712	4.0
187.07571	7.9
188.08209	1.2
201.09174	0.7
203.10709	100.0
204.11063	7.4
215.19896	0.6
219.05084	2.4
221.11769	13.2
222.12029	0.6
227.20438	0.6
245.11600	0.8
252.86005	0.7
347.48679	0.7
365.16016	21.6
366.16348	3.3
383.17093	85.2
384.12738	1.3
384.17380	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	383.244
Annotation	Unknow
Peak:m/z	Relative Intensity
51.39482	1.3
59.01244	14.9
61.98705	3.6
69.39483	7.1
71.01248	6.6
83.01254	1.5
87.00753	2.1
89.02303	5.2
91.03896	2.3
97.06473	1.5
101.02318	3.9
110.97249	1.2
113.02343	2.7
132.68272	1.0
139.11166	1.4
161.04483	1.7
163.11131	3.8
164.11508	1.5
165.12758	2.5
167.14314	1.7
179.05484	1.9
181.12257	3.6
183.13698	1.6
193.12289	2.1
195.13828	3.1
208.09798	1.1
211.13359	1.4
221.15376	3.3
247.20676	4.5
273.18619	3.0
281.21191	1.4
291.19647	32.3
292.19998	4.2
309.20709	100.0
310.21024	10.4
323.09909	3.6
341.10724	2.8
383.24133	3.8
383.27917	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	383.2438
Annotation	Unknow
Peak:m/z	Relative Intensity
56.19062	0.3
58.41014	0.4
59.01248	3.2
61.98698	0.6
70.45287	0.9
71.01255	1.1
75.80705	0.4
89.02315	1.7
91.03877	2.1
93.66457	0.4
97.06489	1.0
101.02294	0.5
113.02327	0.6
113.09608	2.0
115.07553	1.1
125.05972	1.2
126.06816	0.4
138.44077	0.4
139.11163	0.6
141.09087	1.4
151.11189	0.4
165.12703	2.8
167.10709	0.8
167.14314	1.9
170.38251	0.4
181.12218	3.1
183.13741	0.7
193.12294	1.8
193.15913	0.7
195.13847	2.7
206.97507	0.4
211.13318	2.8
213.14795	0.4
221.15407	2.1
222.16008	0.4
229.14383	0.7
239.12717	0.6
240.13647	1.3
241.14279	0.9
247.20621	4.2
248.21120	0.6
254.94972	0.4
255.16077	0.4
263.20123	0.8
265.21585	0.4
267.66901	0.3
273.18646	2.6
281.21277	2.0
291.19659	34.7
292.19955	3.0
294.91498	0.4
309.20697	100.0
310.21027	10.7
314.17300	1.3
323.09787	0.6
325.64740	0.5
341.10754	0.5
365.84039	0.5
383.24396	4.1
384.24591	0.8
391.59628	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.0778
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01756	2.7
57.03328	12.3
59.01244	9.5
60.01536	0.8
64.30474	0.6
68.56363	0.7
69.84207	0.7
70.48687	1.8
71.01254	5.1
72.99174	2.2
75.00745	1.9
77.30603	0.7
82.32159	0.6
83.01260	3.6
84.02032	2.9
85.02824	100.0
86.03182	1.7
87.00761	1.3
89.02335	2.0
91.08991	0.7
101.02345	0.9
103.00212	1.6
111.00752	1.0
115.00267	1.7
121.02838	1.2
126.13778	0.7
129.01851	8.7
134.03612	4.5
147.02905	9.4
149.02357	8.4
152.01105	1.1
163.03856	1.2
164.04706	7.8
165.02048	0.7
173.00821	1.2
179.07062	2.4
191.01906	29.5
193.01392	1.7
193.04980	1.6
208.03693	5.5
209.02950	24.1
223.06096	14.6
224.06345	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.0774
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01765	3.1
57.03042	1.0
57.03323	16.4
58.00462	0.6
58.86353	0.4
59.01250	10.5
68.99686	1.0
70.39169	0.9
71.01250	6.0
72.99176	2.2
73.02785	0.6
75.00747	2.0
80.63193	0.5
83.01269	2.5
84.02024	2.5
85.02822	100.0
86.03180	1.9
87.00758	1.9
89.02309	1.2
98.19834	0.5
101.02296	0.8
103.00256	1.3
111.00752	2.0
117.03288	0.8
129.01849	7.4
129.51740	0.5
130.02188	0.6
133.01286	0.6
134.03619	5.6
135.74178	0.5
147.02887	7.3
149.02325	2.5
164.04683	1.2
173.00844	2.1
191.01903	22.4
192.02264	0.8
193.04979	1.4
209.02962	13.2
223.06049	1.1
385.07645	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.114
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01754	0.4
57.03317	1.2
58.00466	0.6
59.01253	8.2
65.44418	0.5
67.01754	2.1
68.99673	2.5
69.03323	1.5
70.55086	0.5
70.55408	0.7
71.00842	0.7
71.01249	11.2
72.99184	0.9
73.02821	6.1
81.03372	0.4
83.01257	1.3
83.04906	0.5
85.02824	7.4
85.99964	0.4
87.00745	2.2
89.02320	4.0
91.03883	1.4
93.03367	0.6
95.01239	2.1
97.02843	0.6
101.02323	2.5
111.00778	2.8
113.02327	7.2
119.03378	1.1
121.02843	100.0
121.06510	1.3
122.03177	4.8
129.01837	0.9
137.09630	10.8
138.09949	0.6
139.00284	1.0
143.03409	0.8
157.01299	0.9
161.04471	1.1
163.11244	0.8
205.12312	3.5
215.68671	0.4
231.05090	1.5
263.07706	19.1
264.08051	1.3
385.11414	11.5
386.11884	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1145
Annotation	4-O-beta-D-Glucosyl-sinapate
Peak:m/z	Relative Intensity
57.03325	2.6
57.82610	0.8
58.62066	0.8
59.01265	4.6
69.34698	6.6
71.01260	4.0
72.16852	0.8
75.00739	1.1
83.01268	0.9
84.02037	0.8
85.02833	22.1
89.02363	0.9
93.03372	1.2
96.95876	1.9
98.20486	2.1
101.02331	1.1
109.02836	1.2
111.00742	1.6
121.02840	7.9
124.65312	0.8
129.01823	2.2
134.03659	1.6
135.04451	2.2
137.02364	1.4
147.02901	3.8
149.02359	53.8
150.02707	2.9
152.01068	4.0
163.03978	4.8
164.04724	40.1
165.05031	3.2
169.04968	1.4
179.07080	15.7
191.01851	8.7
193.01382	11.8
205.05081	2.0
208.03726	19.3
208.05495	1.4
209.02925	15.4
209.04553	1.1
223.06084	100.0
224.06509	6.3
340.80408	0.9
385.11542	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	385.1141
Annotation	4-O-beta-D-Glucosyl-sinapate
Peak:m/z	Relative Intensity
59.01244	2.9
59.79442	0.7
60.53693	0.6
61.64327	0.7
69.67799	0.6
71.01232	4.4
71.02574	1.7
74.62099	0.7
74.82581	0.7
85.02799	1.0
89.02292	1.2
93.03324	1.8
121.02847	5.5
135.04417	3.2
149.02344	33.2
150.02637	1.6
152.01074	6.5
163.03947	3.9
164.04703	28.1
165.01799	1.4
165.05014	1.8
167.03333	0.7
169.04980	2.3
179.07065	10.1
183.22203	0.7
193.01357	13.3
194.01813	0.7
206.35014	0.7
208.03706	33.2
209.04089	2.5
223.06067	100.0
224.06419	6.0
243.02739	1.0
271.02435	1.1
299.02063	1.0
300.02328	1.4
311.57941	2.7
314.04248	2.5
315.04898	2.2
319.81403	0.8
384.60742	2.0
385.11261	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	385.1503
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01741	1.3
57.03321	1.5
58.00467	1.0
59.01250	100.0
59.04426	0.8
62.99971	0.8
69.03323	19.0
71.01250	21.0
72.99163	2.3
73.01019	2.9
73.02802	3.9
75.55053	1.2
83.01258	1.6
85.02817	6.4
87.00777	1.4
87.27612	0.9
89.02313	16.5
95.01246	1.0
96.45750	0.8
97.02805	3.6
99.00770	4.8
99.04384	1.7
101.02333	12.7
113.02331	7.1
115.51079	0.9
119.03384	7.2
121.02828	4.1
139.58279	1.0
141.01781	1.4
143.03389	1.2
144.07610	1.1
155.21361	0.9
161.04353	1.7
161.09578	1.0
161.13231	1.4
179.05450	1.1
179.10703	1.2
185.00838	9.8
190.97415	1.0
199.09718	1.1
205.12292	9.7
206.12509	1.2
249.25917	1.0
255.14139	3.4
385.22150	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1505
Annotation	Unknow
Peak:m/z	Relative Intensity
58.07372	0.9
58.99467	1.7
59.01249	100.0
60.01580	1.3
61.98699	3.2
69.71944	4.6
71.01250	9.3
72.99189	1.7
73.02820	2.8
75.00750	3.8
78.67223	0.8
84.26846	0.9
85.02825	7.4
87.00737	2.5
89.02325	3.4
95.01263	1.0
99.00760	3.7
101.02315	3.1
102.98475	5.9
113.02332	6.7
119.03386	1.4
135.04411	18.4
137.09599	1.4
137.69733	1.0
140.00986	1.0
161.04477	1.0
166.12022	1.1
181.08606	4.7
181.12209	1.8
205.12337	1.3
223.06326	0.9
231.05040	1.1
249.06094	11.1
355.08575	0.9
376.57678	1.1
385.11215	9.8
385.18484	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1504
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03335	1.0
59.01250	100.0
60.01599	0.9
62.10786	0.9
69.03339	1.2
69.58981	0.8
70.93124	1.0
71.01264	4.5
71.53641	1.5
71.63030	0.9
73.02820	1.3
85.02831	3.0
89.02302	2.1
101.02341	2.5
103.65035	0.8
104.14662	0.8
113.02329	1.9
121.02831	3.2
123.08086	1.0
135.04408	1.1
141.09151	1.5
161.04428	1.4
165.09245	0.9
181.08565	1.4
191.02011	0.9
205.12285	2.4
208.61481	0.8
223.13254	1.7
246.61516	1.0
253.24365	1.0
385.18460	1.5
385.50317	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1869
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01755	1.4
57.03320	2.3
58.00463	1.7
59.01252	30.5
70.93048	0.9
71.01256	44.8
72.01604	1.0
72.99193	2.4
73.02821	56.6
74.03159	0.9
75.00742	1.0
83.01254	3.3
83.04905	1.4
85.02827	15.1
87.00756	2.4
87.04439	0.4
88.83772	0.4
89.02317	25.5
95.01273	2.6
97.02852	0.6
99.00764	2.9
101.02325	21.7
102.02653	0.6
107.04958	0.7
113.02335	16.9
119.03391	10.6
120.03699	0.4
121.02843	1.3
121.06484	9.1
122.06855	0.7
123.08056	1.3
125.02348	0.7
131.03380	1.6
134.92262	0.5
135.04419	0.6
137.09625	100.0
138.09959	4.6
143.03400	2.3
147.08070	0.8
149.04497	1.0
149.05963	0.7
159.02960	2.4
159.04051	0.6
161.04471	12.4
162.88950	0.5
163.07521	0.6
163.11205	6.8
164.11568	0.8
175.11247	2.7
177.12798	0.9
179.05527	3.5
181.08627	1.3
187.11299	2.5
205.12285	41.7
206.12640	2.8
221.06677	0.6
223.13278	0.8
307.63123	0.5
325.12726	0.7
343.13800	0.6
385.18857	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1867
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01756	1.7
57.03326	2.4
58.00457	1.5
59.01250	28.3
60.01580	0.4
65.34261	0.3
70.93317	0.4
70.93661	0.6
71.01251	47.4
72.01595	1.1
72.99184	2.1
73.02816	55.6
74.03165	0.8
75.00730	0.6
81.03340	0.8
83.01244	3.5
83.04899	1.0
85.02290	0.4
85.02823	15.1
87.00749	1.9
89.02316	27.5
95.01250	2.6
95.08556	0.6
97.02826	1.0
99.00761	3.9
101.02319	25.3
102.02663	0.3
107.04914	0.4
113.02328	19.4
114.02676	0.5
119.03387	10.9
120.03699	0.4
121.02861	0.5
121.06479	9.3
122.06754	0.5
123.08080	0.9
125.02306	0.6
129.01830	0.5
131.03398	1.3
137.09618	100.0
138.09950	5.8
143.03395	2.3
147.08040	0.6
149.04355	0.6
149.09557	0.6
159.02896	2.5
161.04453	11.3
163.07669	0.6
163.11212	4.2
164.04791	0.3
164.11462	0.4
175.11179	2.1
177.12762	0.8
179.05545	3.2
180.04242	0.3
180.06027	0.3
181.08563	0.5
187.11214	1.2
205.03490	0.4
205.12274	41.7
206.12616	2.9
210.78647	0.3
223.13327	0.8
325.13168	0.3
366.29587	0.3
385.18307	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1869
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01755	1.4
57.03320	2.3
58.00463	1.7
59.01252	30.5
70.93048	0.9
71.01256	44.8
72.01604	1.0
72.99193	2.4
73.02821	56.6
74.03159	0.9
75.00742	1.0
83.01254	3.3
83.04905	1.4
85.02827	15.1
87.00756	2.4
87.04439	0.4
88.83772	0.4
89.02317	25.5
95.01273	2.6
97.02852	0.6
99.00764	2.9
101.02325	21.7
102.02653	0.6
107.04958	0.7
113.02335	16.9
119.03391	10.6
120.03699	0.4
121.02843	1.3
121.06484	9.1
122.06855	0.7
123.08056	1.3
125.02348	0.7
131.03380	1.6
134.92262	0.5
135.04419	0.6
137.09625	100.0
138.09959	4.6
143.03400	2.3
147.08070	0.8
149.04497	1.0
149.05963	0.7
159.02960	2.4
159.04051	0.6
161.04471	12.4
162.88950	0.5
163.07521	0.6
163.11205	6.8
164.11568	0.8
175.11247	2.7
177.12798	0.9
179.05527	3.5
181.08627	1.3
187.11299	2.5
205.12285	41.7
206.12640	2.8
221.06677	0.6
223.13278	0.8
307.63123	0.5
325.12726	0.7
343.13800	0.6
385.18857	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.2231
Annotation	Oleandolide
Peak:m/z	Relative Intensity
51.09119	0.7
53.36084	0.6
59.01257	6.6
61.98698	1.2
70.01828	1.7
70.02221	1.9
71.01245	1.4
85.02837	1.9
89.02306	2.7
91.03893	2.4
115.75513	0.7
121.02882	1.2
122.03602	1.2
122.16956	0.8
140.77151	0.8
167.14365	3.4
193.15904	1.1
207.17467	1.5
223.20523	1.7
231.17538	0.9
233.15448	1.0
249.18584	9.4
250.18913	1.2
267.19641	100.0
268.19974	11.0
275.16519	11.5
276.16928	1.4
293.17587	74.2
294.17917	9.0
311.18613	13.1
312.19095	1.3
367.21191	9.6
385.22308	62.2
386.22617	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	385.2598
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	22.4
71.54062	3.1
80.85205	2.3
85.02825	5.9
113.02467	2.7
121.02847	5.2
125.05001	2.5
131.08179	4.0
150.96399	2.8
158.93871	2.8
167.14380	3.6
175.61736	2.2
180.98077	2.4
183.13824	5.1
195.13866	7.1
293.21246	11.0
311.22287	100.0
312.22699	11.4
385.25958	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	387.0933
Annotation	Unknow
Peak:m/z	Relative Intensity
50.08171	3.5
56.68474	3.7
56.80264	3.9
58.24181	4.1
59.01249	49.2
59.24655	3.4
63.52170	3.5
69.03330	3.7
69.23735	34.8
71.01264	27.0
72.99158	7.4
73.02829	5.2
81.33510	4.1
83.01241	3.8
83.02491	3.7
85.02824	13.4
89.02322	16.0
93.03357	23.1
99.00736	8.3
101.02329	15.7
102.09398	3.8
113.02309	12.6
121.02849	100.0
137.02350	54.9
159.90802	3.5
182.46246	3.9
225.15001	4.1
249.06059	16.1
267.07346	5.1
387.09216	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	387.1661
Annotation	Unknow
Peak:m/z	Relative Intensity
50.99926	1.3
55.01742	2.3
57.03319	2.8
58.00478	2.2
59.01252	100.0
63.46497	1.5
65.68211	1.1
67.09349	1.2
69.03310	2.8
70.39812	3.2
71.01256	51.3
72.99179	3.2
73.02816	29.7
81.08566	1.3
83.01247	9.3
83.59316	1.2
85.02831	15.9
87.00760	3.2
89.02319	16.2
95.01260	4.8
97.02849	1.7
98.20162	2.3
99.00760	5.0
99.88825	1.4
101.02320	34.5
109.02835	1.7
113.02332	20.0
115.02699	1.3
119.03397	4.4
121.10122	11.4
123.00760	1.3
123.04353	1.9
123.07994	1.6
125.02372	1.7
131.03325	1.4
134.03629	6.7
138.03123	1.6
139.11195	1.4
143.03456	3.2
146.03621	3.5
147.04414	2.8
148.05190	2.8
149.04488	2.2
149.05959	2.3
149.71948	1.7
153.05455	5.3
153.26628	1.5
158.03670	1.9
159.03047	2.6
159.04405	7.0
160.05199	5.7
161.04491	18.5
161.05852	3.1
165.09143	4.2
174.03195	1.5
177.05498	21.2
178.06160	7.3
179.94347	1.5
181.12447	1.5
183.10175	5.7
187.03748	2.7
187.35269	1.3
188.04774	3.4
191.07054	6.0
192.07806	1.9
193.05098	1.4
195.06590	2.0
203.07089	19.5
206.05751	5.6
210.05246	2.2
216.51605	1.3
220.64005	1.4
221.08153	20.8
224.06873	4.3
225.11279	3.6
225.14859	2.3
266.05743	1.6
267.06689	1.4
268.07346	1.6
277.05185	1.4
281.08185	1.6
294.05301	1.3
295.06061	2.5
301.16641	8.1
310.08420	2.9
325.10922	1.4
327.14435	3.9
345.15500	5.5
356.62427	1.5
357.13391	3.0
369.13431	6.0
387.10785	20.1
387.16357	18.5
388.10959	3.0
388.16769	2.6
395.25079	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1664
Annotation	Tuberonic acid glucoside
Peak:m/z	Relative Intensity
55.01750	0.6
55.50504	0.3
57.03327	0.7
58.00465	1.9
59.01256	6.0
69.03333	0.5
69.60294	2.1
71.01257	4.7
72.99165	0.4
73.02827	3.9
81.03333	0.3
83.01279	0.4
83.04903	0.4
85.02834	3.4
86.03607	1.2
87.04395	3.0
89.02293	0.4
95.04903	1.6
97.02821	0.7
97.06467	0.4
98.20282	1.1
99.04409	6.0
101.02327	4.7
109.06477	0.9
113.02333	1.2
125.06016	0.3
125.91647	0.3
139.07463	0.3
139.18657	0.3
149.09473	0.3
163.11217	7.2
164.11542	0.3
177.12779	1.4
181.12274	24.1
182.12582	1.9
195.13837	8.5
196.14154	0.5
205.12277	0.5
207.10217	3.5
219.71530	0.4
223.13390	2.4
225.11290	100.0
226.11618	7.1
239.12843	4.8
249.11357	0.6
253.52127	0.3
267.12378	20.0
268.12692	1.5
279.12384	0.6
297.13367	1.6
327.14499	12.9
328.14807	0.9
352.40454	0.3
387.16577	5.7
388.16995	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1663
Annotation	Tuberonic acid glucoside
Peak:m/z	Relative Intensity
55.01765	1.8
57.03329	2.3
58.00473	1.8
59.01254	100.0
60.01596	1.4
68.99007	0.5
69.03342	1.1
69.29452	3.3
69.34824	0.5
71.01259	47.8
72.01606	1.3
72.99187	3.1
73.02824	23.5
75.00751	0.9
78.96832	0.5
79.70132	0.5
83.01260	10.6
85.02829	13.6
87.00771	3.2
87.04436	0.5
89.02322	27.0
95.01272	3.1
97.02848	0.8
98.20057	2.1
99.00774	3.4
99.04440	0.7
101.02329	36.9
102.02672	0.8
111.00750	0.5
113.02335	16.8
119.03397	10.1
121.10130	4.3
125.02350	1.7
129.01941	0.5
131.03441	1.4
137.09596	1.2
139.11287	0.5
143.03398	2.7
149.04478	1.1
151.11237	1.6
153.12839	0.7
155.03456	0.5
159.02974	1.6
161.04486	10.8
162.04865	0.6
165.09169	1.4
179.05539	3.9
183.10229	1.9
205.03595	0.7
225.14931	7.6
301.16693	2.7
327.14316	2.3
343.76282	0.5
345.15540	4.9
346.15860	0.6
387.16641	24.5
387.20587	8.0
388.16705	2.9
388.20291	0.7
388.21210	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.2025
Annotation	Sedumoside I
Peak:m/z	Relative Intensity
55.01751	3.9
57.03312	2.0
58.00455	3.6
59.01250	100.0
62.66927	1.5
68.81554	1.2
69.61684	5.2
69.62107	2.8
69.92088	1.5
71.01253	78.0
72.99174	5.3
73.02818	13.1
83.01241	6.6
83.27894	1.2
85.02821	21.9
87.00725	4.1
89.02317	71.6
95.01247	4.5
99.00764	3.0
101.02319	56.8
111.08480	1.3
113.02328	32.0
114.02582	1.6
115.74759	1.3
119.03399	27.7
121.45881	1.3
125.02302	1.7
131.03357	3.2
135.07968	1.4
137.09616	2.3
140.90869	1.2
143.03384	4.0
149.02254	1.3
149.04417	2.1
151.11208	2.6
159.02867	3.2
161.04463	13.1
163.11221	2.2
165.00084	1.3
166.00824	1.9
179.05568	8.3
181.03293	2.4
189.12749	4.8
207.13812	2.8
224.78123	1.4
225.02133	2.1
225.14864	17.5
226.15268	2.0
248.87997	1.6
327.14398	1.5
387.16238	10.5
387.20459	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	387.2025
Annotation	Debiloside B
Peak:m/z	Relative Intensity
50.34069	1.1
55.01758	7.7
57.03323	6.6
58.00473	3.2
58.00875	1.0
59.01252	73.2
60.01585	1.6
63.20187	1.1
63.88816	0.9
69.03341	1.2
71.01255	100.0
71.24324	1.3
72.01615	2.3
72.99187	4.8
73.02817	30.4
75.00755	1.2
76.16253	1.0
83.01264	14.3
85.02826	46.5
87.00755	9.9
87.21338	1.4
89.02320	30.8
95.01272	7.8
96.28706	1.0
97.02839	2.6
99.00769	11.6
101.02324	78.5
102.02689	1.4
113.02335	38.1
119.03398	12.1
120.58018	1.1
122.73277	0.9
125.02341	3.4
127.35474	1.1
129.01784	3.0
131.03340	1.3
131.54359	0.9
137.09613	3.5
143.03395	5.7
151.11227	1.2
159.02943	10.0
161.04482	45.9
162.04831	2.1
165.12831	1.4
167.14290	1.4
179.05502	3.6
195.13820	1.4
207.13773	2.0
225.14909	40.5
225.72125	1.2
226.15176	2.9
234.86073	1.4
297.17068	4.6
382.70197	1.4
387.20239	42.7
388.20465	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	387.2309
Annotation	Unknow
Peak:m/z	Relative Intensity
51.37381	32.3
55.95530	25.9
58.02426	31.5
59.01237	91.8
70.19163	100.0
70.19511	50.9
71.01263	43.8
79.89281	34.6
81.27896	29.6
304.35574	34.4
365.87683	34.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.2752
Annotation	Unknow
Peak:m/z	Relative Intensity
51.49464	8.0
59.01255	100.0
61.53161	11.1
71.20769	13.9
74.37006	10.7
122.09182	9.6
194.48410	10.4
395.12845	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	387.2753
Annotation	Unknow
Peak:m/z	Relative Intensity
50.64023	15.3
50.93635	17.2
59.01253	100.0
61.98701	16.8
71.01246	26.4
71.53535	24.4
72.40627	16.7
88.28201	17.6
88.73457	17.0
94.44892	19.9
120.61282	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	388.1974
Annotation	Unknow
Peak:m/z	Relative Intensity
54.40574	10.2
59.01250	37.6
61.98701	100.0
71.52342	10.5
71.52785	12.6
89.85045	10.7
282.67816	13.2
295.64111	10.8
411.42535	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	388.1979
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	15.3
61.98706	100.0
66.26939	4.4
69.39894	31.6
70.14571	3.9
73.41047	3.6
79.95620	16.7
96.52061	3.8
96.95888	50.6
98.20621	6.5
141.41702	4.2
156.48755	4.3
170.96037	4.4
176.63885	4.0
182.30576	4.0
233.05338	3.9
295.62704	4.3
389.16220	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	389.164
Annotation	Compound II(R/S)
Peak:m/z	Relative Intensity
54.40598	1.1
59.01262	9.7
61.98696	1.6
71.01248	1.5
71.53063	1.5
79.95619	9.9
80.96370	2.2
89.69970	1.0
96.95889	100.0
131.37079	1.1
131.91458	1.1
136.39717	1.3
159.30699	1.1
201.45256	1.1
389.16360	37.9
390.16666	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	389.1823
Annotation	Unknow
Peak:m/z	Relative Intensity
54.06699	1.2
54.07355	1.0
55.01747	1.4
56.19738	1.1
57.03312	2.5
58.00462	1.6
59.01256	100.0
69.03334	2.5
71.01260	64.6
72.01595	1.1
72.99174	4.6
73.02825	66.5
74.03180	1.7
76.77805	1.2
78.05579	1.1
83.01269	21.0
85.02820	11.5
87.00742	4.1
89.02333	13.2
95.01213	1.9
98.20170	8.2
99.00780	3.2
101.02329	58.2
102.02702	1.3
113.02338	13.0
118.55556	1.3
119.03390	4.1
121.10134	4.7
125.02370	2.1
131.03426	2.0
143.03410	3.5
149.04472	2.4
161.04477	10.3
167.10718	26.6
168.11050	1.8
168.63885	1.1
183.10165	1.5
185.11664	2.1
212.38130	1.2
303.17984	2.6
329.16086	6.2
347.17108	16.6
348.17514	2.6
389.18207	71.7
389.25934	3.2
390.18616	7.7
395.61639	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1815
Annotation	Unknow
Peak:m/z	Relative Intensity
52.82495	1.7
52.94064	1.7
55.02782	1.4
59.01251	100.0
59.75318	1.4
61.98693	12.2
70.67303	3.9
71.01259	3.1
89.02294	2.8
135.04387	1.8
142.04721	1.6
144.89043	1.8
150.41753	1.9
167.10689	34.9
168.10985	1.9
171.10254	2.3
177.37576	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1816
Annotation	Unknow
Peak:m/z	Relative Intensity
54.27620	1.1
54.31596	1.1
55.01746	1.9
57.03312	2.1
58.00476	1.2
59.01252	100.0
62.08715	1.1
67.34350	1.1
69.47309	7.6
71.01256	29.6
71.04913	1.0
71.87954	1.4
72.99181	1.5
73.02502	1.0
73.02824	11.4
83.01246	4.0
85.02827	10.8
87.00744	1.9
87.04410	1.9
89.02309	10.1
95.01226	2.1
97.02827	1.4
97.06470	4.7
98.20013	4.5
99.00755	2.3
101.02327	19.0
112.72816	1.1
113.02325	13.7
119.03362	4.2
122.11002	1.3
127.07544	1.3
139.00140	1.3
143.03368	1.7
149.09592	1.7
161.04465	11.4
167.10678	5.3
175.03906	2.3
179.05455	1.3
180.04227	1.3
185.11749	3.9
190.06285	2.1
191.07065	1.9
205.08693	1.8
303.18161	3.4
304.18204	1.2
311.39951	1.1
329.16013	4.5
347.16992	10.2
359.15045	8.5
389.18091	11.2
389.25580	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	389.1818
Annotation	Unknow
Peak:m/z	Relative Intensity
56.39618	0.6
57.03318	2.1
59.01251	100.0
60.01585	1.8
64.81533	0.6
69.03367	0.8
69.47666	4.1
71.01256	21.2
71.04903	0.7
72.99186	1.2
73.02815	6.6
83.01272	2.8
83.04935	0.8
85.02831	8.3
87.00771	1.1
89.02318	7.6
93.91517	0.6
95.01287	1.8
95.04898	0.9
97.06470	10.6
98.19748	0.6
99.00770	1.9
101.02322	16.4
110.02449	0.6
111.00785	1.0
113.02338	13.0
119.02661	0.6
119.03377	3.1
125.02290	0.9
127.07562	2.5
137.02321	0.8
143.03394	1.2
143.85629	0.6
149.04460	0.8
149.09641	1.4
159.02914	2.0
161.04485	8.9
167.10692	8.6
185.11780	3.8
223.09636	0.8
303.18256	3.9
318.56830	0.7
329.16193	4.9
347.17111	9.7
359.15097	2.2
389.18106	7.0
389.25671	1.8
390.18411	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.2184
Annotation	Sedumoside C
Peak:m/z	Relative Intensity
55.01756	0.9
55.64098	0.9
57.03313	1.0
59.00955	0.8
59.01254	15.4
61.98702	0.9
65.52580	0.8
70.68467	1.6
71.00883	1.5
71.01257	14.6
72.99201	1.1
73.02827	2.6
73.18673	0.7
78.95762	0.7
83.01251	2.0
85.02824	5.4
87.00743	1.1
89.02326	2.5
94.02406	0.9
95.01266	1.4
99.00710	1.1
101.02315	6.7
107.21224	0.7
112.26025	0.7
113.02340	2.4
119.03352	1.1
167.10780	1.1
181.15852	0.8
227.16490	14.7
315.21793	2.3
371.20834	3.3
389.21841	100.0
390.22235	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	389.2465
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01245	100.0
62.86088	30.8
71.53720	34.8
79.44369	29.5
80.29441	29.0
133.29654	29.7
137.09370	29.0
140.08566	30.1
145.21487	37.0
268.89017	29.2
349.07755	31.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.2909
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	100.0
62.29335	6.7
63.79955	6.4
69.52386	13.3
69.52800	33.9
78.99686	6.0
86.06702	6.9
88.58572	6.2
103.88681	6.6
107.36829	6.6
110.78764	6.3
115.28321	7.2
152.68137	6.0
350.33011	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	390.2136
Annotation	Unknow
Peak:m/z	Relative Intensity
53.50518	3.7
59.01253	83.0
59.44296	3.0
61.98708	100.0
64.90952	2.6
66.11383	3.2
68.73547	2.7
68.81354	2.8
69.73875	17.2
70.97258	2.8
71.01247	8.9
71.79388	3.4
89.02332	4.8
101.02328	5.1
113.02353	5.6
116.92682	3.3
118.11054	3.6
132.31804	3.0
135.06818	3.0
151.22531	3.0
209.11613	3.7
210.12096	6.4
228.13046	3.8
275.23227	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1612
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01748	0.8
57.03323	42.3
59.01250	100.0
60.01591	1.5
71.01251	13.0
71.04890	12.0
71.24471	1.4
73.02822	3.8
78.86012	0.7
79.71829	0.7
81.03339	0.8
83.01280	2.5
83.33817	0.7
85.02831	6.6
87.00753	1.0
89.02317	7.1
98.20197	0.9
99.00791	1.7
99.04397	33.7
100.04736	1.1
101.02326	15.8
107.47145	0.9
113.02328	6.5
113.05965	6.0
119.03402	2.8
125.02312	7.9
139.03943	2.2
143.03464	1.2
159.02931	0.8
161.04437	4.7
179.05611	0.9
189.64696	0.8
233.10132	1.8
247.11841	12.4
248.12366	1.2
257.38663	0.9
331.17670	1.8
349.18692	1.2
384.76932	0.8
391.19656	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	391.1974
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	100.0
60.01597	1.0
62.85121	0.5
68.66109	0.5
71.01262	7.0
72.99192	0.6
73.02837	2.1
80.82028	0.5
83.01268	1.0
84.36983	0.5
85.02850	1.9
87.00726	1.0
89.02333	5.0
91.46280	0.6
101.02322	4.9
106.59395	0.5
113.02328	3.5
119.03390	2.8
120.53496	0.5
131.03450	0.5
143.03452	0.7
161.04472	3.0
179.05602	1.5
187.13463	0.6
221.06638	0.6
224.75290	0.5
233.39299	0.6
326.45236	0.6
331.17825	2.2
349.18707	0.7
356.87372	0.7
391.19794	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	391.1974
Annotation	Unknow
Peak:m/z	Relative Intensity
53.08065	0.5
55.01744	0.6
57.03313	1.5
58.00470	1.0
59.01250	100.0
60.01590	1.9
61.33913	0.5
64.35567	0.4
65.55959	0.5
69.03348	0.9
69.46936	2.9
71.01250	20.9
72.99203	0.8
73.02814	12.3
83.01252	3.7
85.02814	6.9
87.00738	1.1
87.04414	0.9
89.02313	12.5
95.01279	1.9
97.02808	0.7
99.00750	1.4
101.02319	15.8
113.02328	13.5
113.03063	0.9
119.03356	3.7
125.02293	0.8
131.03404	1.0
143.03455	2.2
161.04456	5.5
179.05637	1.5
187.13309	7.2
331.17599	7.9
349.18628	14.5
350.19138	1.9
391.19809	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1976
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04411	0.5
51.54814	0.5
55.01766	0.8
57.03327	22.0
58.03641	0.5
59.01252	100.0
60.01593	1.2
60.88831	0.6
71.01254	12.2
71.04908	2.7
71.45182	0.7
72.01609	0.6
72.99198	0.7
73.02813	3.0
83.01283	2.0
85.02824	5.0
87.00775	0.7
89.02318	6.0
93.41371	0.5
95.01261	0.6
99.00771	1.3
99.04402	14.4
101.02323	11.7
102.02697	0.6
113.02329	5.1
113.05992	1.2
119.03403	2.6
125.02351	4.8
138.03152	1.1
143.03419	1.2
161.04478	5.3
168.04233	0.6
179.05605	0.8
183.06606	1.0
185.77592	0.5
209.08229	1.0
247.11774	4.8
289.13162	0.4
321.39459	0.5
331.17630	3.9
349.18784	2.8
372.52490	0.5
391.19891	1.8
391.27243	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1973
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01760	0.6
57.03319	0.8
58.00461	1.2
59.01249	100.0
60.01603	1.1
69.40898	1.4
69.41301	3.3
71.01250	26.2
72.99197	1.4
73.02813	13.5
79.87618	0.6
83.01258	4.7
85.02823	7.8
87.00760	1.4
89.02311	12.9
89.02816	0.9
95.01272	0.8
98.20052	2.4
99.00764	1.5
100.20595	0.6
101.02314	18.7
103.03914	1.7
109.02859	0.9
113.02335	10.0
119.03383	4.9
125.02388	1.1
141.09155	1.8
143.03430	2.2
149.04457	0.6
154.93970	0.6
159.02907	0.8
161.04459	7.1
175.00679	0.5
179.05583	2.1
181.99126	0.7
185.06020	1.6
187.13297	4.4
229.05016	2.2
229.14406	2.9
283.29849	0.8
292.56189	0.6
331.17606	9.0
349.18628	19.4
350.19006	1.8
391.19690	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1975
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01738	1.1
57.03310	1.1
58.99538	1.0
59.01250	100.0
60.01599	1.6
69.66792	4.1
71.01253	9.8
72.99165	1.3
73.02832	2.4
74.02325	1.0
85.02838	3.7
85.41425	1.0
87.00807	1.0
89.02321	7.5
101.02332	5.6
113.02328	3.1
119.03419	2.0
161.04436	1.8
179.05389	1.5
241.73228	1.5
303.51328	1.1
331.17563	2.6
391.19757	3.0
392.19327	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1977
Annotation	Unknow
Peak:m/z	Relative Intensity
53.11438	0.8
57.03343	1.1
58.00465	1.1
59.01252	100.0
59.42513	0.8
60.01568	1.1
71.01254	17.2
72.99165	2.2
73.02813	4.3
83.01270	1.9
85.02827	5.0
87.00777	1.0
89.02322	8.6
93.03335	1.6
95.01275	1.1
95.57957	0.7
99.00756	2.2
101.02325	13.4
113.02329	6.5
119.03399	3.4
130.17107	0.7
133.01213	0.8
143.03362	1.3
159.02873	1.0
161.04465	4.7
179.05547	1.4
185.05977	1.9
187.13321	2.8
200.92732	0.8
229.05078	1.6
239.06192	1.0
302.92554	0.8
331.17593	4.0
349.18716	5.3
391.19635	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1978
Annotation	Unknow
Peak:m/z	Relative Intensity
51.49695	0.9
57.03338	1.1
59.01255	100.0
71.01258	24.1
71.45217	1.3
72.24292	0.9
72.99197	1.0
73.02829	13.9
83.01257	5.3
85.02820	5.1
87.04371	1.2
89.02328	10.0
95.01259	1.1
99.00753	1.4
101.02328	14.9
113.02333	12.5
119.03393	4.2
125.02245	1.3
131.03429	2.2
143.03395	1.5
161.04446	4.7
167.10695	1.6
178.57039	1.0
179.05540	1.3
187.13361	1.6
229.10881	1.2
231.46446	1.1
310.15826	1.0
331.17676	4.0
349.18771	6.8
391.19583	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1976
Annotation	Unknow
Peak:m/z	Relative Intensity
54.05507	1.8
55.44853	2.1
57.03312	2.9
59.01255	100.0
59.40289	2.0
67.87642	1.9
71.01267	21.0
71.53500	2.7
73.02820	6.3
81.37938	2.1
83.01255	2.6
85.02831	9.3
87.00747	3.2
89.02312	8.6
98.19938	2.0
98.20466	2.4
101.02295	15.5
113.02326	8.4
119.03375	5.3
143.03372	2.2
161.04442	7.3
174.52699	2.0
178.61906	2.0
179.05473	2.4
187.13228	3.8
191.01926	2.9
285.68155	2.1
299.65018	2.1
311.07709	8.5
315.05081	3.2
331.17691	4.8
349.18625	11.0
391.19431	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.2105
Annotation	Unknow
Peak:m/z	Relative Intensity
51.04847	3.9
57.03318	4.0
59.01254	100.0
71.01266	4.9
71.53358	3.8
73.56932	3.6
83.28049	3.2
89.02280	4.5
96.95889	16.4
101.02324	4.7
111.08022	7.6
119.08559	10.6
119.76942	3.3
125.09532	4.8
129.36649	3.7
137.09618	25.8
145.13683	4.4
171.10187	49.7
185.11760	11.5
193.08395	15.8
197.11794	17.3
207.09981	49.9
219.09938	15.3
291.19751	23.4
301.72488	3.2
309.17245	6.2
309.20667	53.9
310.21017	4.7
313.17813	46.3
314.18304	4.6
385.44919	3.6
391.19998	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	391.2102
Annotation	Unknow
Peak:m/z	Relative Intensity
53.05304	2.7
57.03321	5.9
59.01249	95.8
61.98695	3.4
69.03327	5.5
71.01258	5.9
81.75781	2.6
83.04912	4.1
89.30302	3.2
91.02853	3.0
91.65408	2.8
93.03349	5.1
96.95885	3.1
99.92451	3.0
107.46319	2.9
111.08057	5.9
119.08542	21.8
121.10110	3.9
125.09609	7.0
127.11095	4.0
134.70865	2.7
137.09615	46.2
139.11142	7.2
141.08992	3.7
149.09644	4.1
151.11108	2.7
155.10585	3.1
167.10698	4.8
171.10168	100.0
172.10493	4.1
179.10434	5.5
183.10303	3.4
185.11772	18.9
193.08411	18.1
197.11769	9.0
201.11285	8.0
207.08070	5.5
207.09959	98.7
208.10268	7.5
211.13368	3.8
213.11264	5.7
217.00293	2.6
219.09961	9.4
223.09480	3.6
230.47827	3.2
245.19063	7.5
253.09216	5.3
267.10699	3.7
273.18549	9.7
291.19672	27.8
292.20016	4.2
309.20682	91.2
310.21014	11.6
313.17822	87.1
314.18246	11.6
331.06824	3.2
331.18631	5.1
391.20175	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	391.2102
Annotation	Unknow
Peak:m/z	Relative Intensity
51.45192	4.8
59.01249	100.0
61.98702	11.2
69.98285	21.7
71.01248	9.6
73.26337	4.5
80.59325	4.4
80.82513	4.1
88.22136	4.9
140.75406	6.7
161.04491	5.4
193.08421	7.1
222.08618	28.7
223.09473	11.7
236.10300	17.3
262.11942	8.4
269.42883	4.8
282.09583	17.1
296.11127	5.5
309.20761	21.4
313.17850	11.5
331.18997	35.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.2102
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	47.7
61.98693	3.3
69.80692	8.2
69.81095	4.4
71.01244	4.9
89.02277	2.6
90.02876	2.1
91.58720	2.5
96.95900	2.8
101.02265	3.9
111.08031	3.6
139.07564	5.5
153.12744	4.6
166.01180	3.3
169.12250	3.9
181.12119	3.4
205.03409	3.0
209.11557	5.1
219.09981	8.9
222.08565	2.7
223.09343	3.1
247.20613	3.4
248.10208	4.2
249.10829	5.1
253.10538	9.5
261.73639	2.4
265.21628	2.4
277.22308	2.3
291.19638	15.1
292.19843	3.1
294.09680	2.8
303.19418	2.7
309.20697	43.4
310.20911	2.8
326.46021	2.2
331.18866	100.0
332.19138	9.5
363.16669	7.4
374.29999	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	392.2289
Annotation	Unknow
Peak:m/z	Relative Intensity
50.89211	3.5
58.78559	3.2
59.01247	31.1
61.98701	100.0
71.20241	5.6
71.48154	3.4
74.07360	3.3
74.23030	3.2
127.11846	4.1
131.55034	3.7
132.96094	3.5
157.83824	3.3
193.18298	3.5
205.70514	3.3
222.20714	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	393.1769
Annotation	Unknow
Peak:m/z	Relative Intensity
50.94119	3.2
57.03331	57.9
59.01255	100.0
64.13296	2.8
67.99360	2.5
71.01270	18.3
71.01604	2.9
71.04900	28.6
73.02840	5.3
83.01283	4.3
85.02830	8.9
89.02331	3.9
96.95884	9.5
98.19772	7.0
98.20481	11.7
99.00718	2.8
99.04409	45.9
101.02333	26.8
113.02318	9.8
113.05975	9.6
119.03411	4.0
121.35732	2.9
125.02372	11.9
143.03358	3.5
161.04440	8.0
235.11787	5.2
249.13474	23.2
316.47781	3.2
365.96872	3.2
393.12384	4.7
393.20990	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	393.1771
Annotation	Unknow
Peak:m/z	Relative Intensity
51.27523	2.1
55.76844	2.3
57.03331	100.0
59.01256	95.4
60.01598	3.3
60.66018	2.1
69.03329	2.5
71.01263	28.0
71.53737	2.3
73.02822	9.2
81.03333	2.4
83.01234	5.2
85.02824	11.1
89.02299	4.9
99.00754	4.4
99.04404	64.9
100.04773	3.1
101.02330	39.0
102.26734	2.0
113.02348	11.6
125.02348	21.3
131.03661	3.3
161.04474	7.1
163.61288	2.0
190.05043	16.4
202.83459	2.6
240.76688	2.1
249.13416	35.6
375.14453	3.7
393.20660	3.8
394.11249	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	393.2048
Annotation	Unknow
Peak:m/z	Relative Intensity
54.10626	1.2
58.46861	1.4
59.01254	7.0
61.98687	3.0
70.55495	4.1
78.95783	76.9
93.80181	1.5
96.95897	1.8
96.96832	4.9
139.12900	1.3
152.99492	100.0
171.00574	1.9
171.39049	1.5
379.77914	1.4
393.20377	8.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.2258
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	13.6
60.99551	1.1
61.98699	29.6
68.86900	1.3
71.01270	1.2
71.04879	4.7
71.20477	2.6
76.31404	1.0
84.02029	1.6
87.71981	1.1
103.75268	1.0
111.08015	2.0
125.09568	2.0
127.11205	1.9
127.65310	1.1
139.11156	1.9
141.09048	1.0
153.12848	1.2
155.14232	1.3
171.10199	5.2
193.08461	3.0
207.09886	3.1
209.11749	2.2
219.10020	1.4
221.11586	5.3
227.12903	1.7
231.09991	2.8
248.10254	2.9
249.11052	7.7
257.15381	1.3
291.19519	1.8
293.21091	2.6
311.22260	100.0
312.22601	11.0
315.19360	2.7
331.18912	7.7
333.20447	69.7
334.20721	6.6
365.47388	1.2
393.22479	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	394.1843
Annotation	Unknow
Peak:m/z	Relative Intensity
50.66273	0.2
57.04836	0.2
59.01251	0.5
61.98703	100.0
68.39462	0.2
71.52912	0.3
89.92639	0.2
93.53434	0.2
97.30421	0.2
123.44820	0.2
137.65938	0.2
222.08769	0.5
236.88640	0.2
262.11853	0.3
285.07034	1.4
291.19666	0.3
309.20721	1.6
309.70670	0.2
310.21240	0.2
325.10233	0.3
331.19083	0.9
394.18527	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	394.1848
Annotation	Unknow
Peak:m/z	Relative Intensity
52.32164	0.2
59.01255	0.7
61.98706	100.0
62.43537	0.2
63.99012	0.2
69.71097	1.2
87.49041	0.2
98.20541	0.3
113.45385	0.2
151.07590	0.7
152.08347	0.5
170.83070	0.2
181.12355	0.2
209.15514	0.9
250.54863	0.3
255.56679	0.2
291.19675	0.7
309.17151	1.2
309.20840	0.7
331.18280	0.3
394.05423	0.2
394.18613	3.1
395.18494	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.2436
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01248	2.1
70.14246	2.6
71.01241	1.4
78.95776	66.9
96.96838	4.6
98.20426	0.8
125.43276	0.8
135.02879	1.6
142.31050	0.8
150.97900	1.9
152.99492	100.0
153.99820	1.8
171.00523	2.6
232.48534	0.8
241.21649	1.2
277.21719	95.5
278.22095	8.8
319.18405	0.8
395.21851	12.7
396.22931	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.114
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	8.7
69.19278	16.2
71.01278	3.4
79.61105	1.6
84.39497	1.6
85.32233	1.4
85.87713	1.6
89.02334	1.6
96.95898	3.1
113.02380	2.4
114.49329	1.8
134.03636	38.7
135.03952	2.9
137.02342	8.3
139.03835	2.0
149.05984	13.4
160.01634	3.1
175.03947	7.1
178.02629	25.1
191.10689	15.1
193.04991	100.0
194.05341	5.7
212.68776	1.7
249.25787	1.5
347.12451	2.3
371.47824	2.1
397.10706	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
55.01753	4.5
57.03315	4.1
57.38033	1.5
58.00474	4.1
59.01250	100.0
65.15157	1.5
69.03323	5.8
71.01254	97.3
72.01596	2.2
72.99174	8.8
73.02816	19.6
80.09641	1.6
81.03349	3.0
83.01252	12.6
83.04905	2.2
85.02822	19.5
85.99960	2.0
87.00745	19.9
87.53245	1.4
89.02317	72.2
91.03867	1.7
93.03328	1.7
95.01280	5.6
97.02824	17.7
99.00761	6.7
101.02319	74.8
111.04418	5.5
112.01518	1.7
113.02334	31.1
119.03391	27.3
121.02825	2.3
123.00648	1.6
125.02347	23.8
127.03971	2.3
129.01836	1.6
131.03419	3.3
133.04953	5.3
137.02365	1.8
139.03897	3.5
141.01933	2.0
141.93590	1.6
143.03392	8.7
149.04434	1.9
154.37268	1.6
161.04471	15.6
169.04935	2.2
179.05580	7.3
199.06006	2.6
217.07147	2.8
221.06618	5.0
235.08183	24.5
253.09390	2.2
263.07813	2.8
277.09277	3.7
297.26691	1.6
305.08694	1.8
305.40561	1.5
379.12457	3.0
397.13486	81.7
398.13995	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	397.1351
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01748	3.2
57.03320	3.0
58.00465	5.5
59.01254	100.0
61.98701	27.3
68.71931	2.5
69.03327	5.3
71.01258	90.8
72.99187	6.9
73.02823	20.2
75.05199	2.7
81.03363	3.6
83.01271	10.4
85.02827	20.5
87.00750	18.6
89.02321	73.6
90.02648	3.1
95.01283	7.3
97.02831	15.9
98.19790	10.1
99.00784	8.5
101.02325	68.4
109.55875	2.8
113.02351	29.8
119.03410	21.7
125.02322	17.0
131.03403	2.9
133.04941	6.0
139.03923	4.6
143.03410	11.5
149.04448	2.6
161.04468	14.7
169.05034	4.0
179.05531	6.0
195.29846	2.7
212.80286	2.5
221.06598	5.5
234.95401	2.8
235.08212	21.7
253.09341	2.9
305.08838	3.4
397.13522	66.3
398.14093	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	399.1664
Annotation	Unknow
Peak:m/z	Relative Intensity
54.75213	1.1
55.01775	2.0
57.03327	2.8
59.01258	21.5
66.91627	1.0
71.01259	41.1
71.02043	1.3
72.99196	2.2
73.02828	8.9
73.08640	1.0
75.00784	1.0
77.49391	1.1
83.01273	4.1
85.02827	17.7
87.00759	2.2
89.02325	12.1
93.03359	1.1
95.01301	3.6
95.08570	1.4
98.19940	1.2
99.00777	3.7
101.02328	21.0
107.04928	1.9
113.02332	17.7
114.02679	1.1
116.98650	1.1
119.03407	3.9
121.06488	10.9
133.08844	1.1
134.03670	2.4
135.33951	1.0
137.02383	1.4
137.09634	100.0
138.09990	6.2
143.03416	2.0
159.02943	2.7
161.04472	15.6
288.83502	1.1
311.44064	1.1
348.76160	1.1
399.16525	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	399.1659
Annotation	Unknow
Peak:m/z	Relative Intensity
52.63964	0.7
55.01754	1.8
57.03325	2.1
58.00476	2.6
59.01250	100.0
60.01584	1.2
68.74382	0.8
69.03342	0.8
71.01253	63.5
71.37836	1.4
72.01618	1.0
72.99171	4.1
73.02818	23.1
75.00749	1.1
77.35949	0.6
78.49620	0.8
83.01267	8.8
85.02822	18.9
85.99948	0.8
87.00760	5.0
89.02315	43.5
90.02644	1.0
95.01275	5.1
97.02830	1.1
99.00775	4.3
101.02319	39.9
102.02674	1.6
111.00753	1.4
113.02330	36.3
119.03387	18.2
125.02333	1.4
131.03436	2.7
142.88814	0.8
143.03397	4.0
149.04480	2.4
161.04477	7.8
163.07503	3.9
164.08342	9.9
165.05516	0.9
178.04822	1.5
178.06296	2.8
178.09906	1.3
179.05545	5.7
179.06934	0.9
180.07849	20.5
193.08699	1.0
195.10217	6.8
203.07190	1.8
204.07858	12.6
205.08513	1.5
206.09503	2.1
215.07059	1.1
216.07932	0.8
217.08690	2.0
218.09468	0.9
219.10245	7.5
222.08969	2.9
230.09544	1.3
234.09001	1.3
236.10532	1.2
237.11386	2.2
245.11740	1.1
249.11327	2.0
255.19772	1.2
258.09088	1.0
261.11319	1.2
279.12408	1.8
306.11130	6.6
309.13522	1.1
321.13452	3.2
324.12128	35.2
325.12668	2.9
339.00940	0.9
339.14471	48.0
340.14850	5.7
342.13162	24.9
343.13586	2.7
357.15521	63.9
358.15900	6.3
368.99069	0.8
384.14175	10.0
385.14572	1.1
399.16617	2.1
399.23904	2.1
402.18207	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1301
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	96.9
67.24913	7.1
68.99734	10.5
71.01259	70.6
71.51689	10.9
72.72424	8.6
73.02847	7.5
73.21188	8.3
74.38937	6.1
74.82150	6.1
85.02828	31.8
87.00765	9.7
89.02322	71.4
101.02339	37.5
105.87201	7.3
106.93589	6.8
108.02068	35.2
109.02843	22.4
113.02309	22.3
117.98275	8.1
119.03387	23.8
149.04442	6.9
149.13771	8.4
150.70975	7.0
152.01103	20.0
153.01814	9.9
161.04492	9.5
179.05531	31.9
261.45901	8.2
265.07120	9.9
341.10861	100.0
342.11411	8.5
401.10928	44.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1454
Annotation	Benzyl alcohol beta-D-xylopyranosyl (1->6)-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
55.01771	7.1
57.03334	4.2
58.00471	1.6
59.01254	43.3
68.72469	1.4
69.03346	1.9
69.27325	12.3
71.01260	100.0
72.01581	1.4
72.99207	4.3
73.02824	39.2
75.00749	3.5
81.03367	1.9
83.01256	16.8
85.02832	42.8
87.00768	4.9
89.02332	19.7
95.01263	8.0
97.02835	6.9
98.19810	2.4
99.00766	20.9
100.01051	1.5
101.02332	72.3
102.02690	2.5
111.00747	1.9
113.02337	37.5
113.03057	2.2
115.03910	4.4
119.03413	1.3
123.04424	2.5
125.02358	7.5
129.01823	2.2
131.03462	3.3
136.01567	2.8
137.02328	7.2
143.03410	4.2
149.04483	2.1
150.25142	1.5
151.03960	1.8
153.05447	1.8
159.02876	8.4
161.04488	48.6
162.03168	2.0
164.01079	28.9
165.01860	44.1
166.02286	2.8
167.07065	2.7
177.05595	2.4
179.03418	23.7
180.04211	40.7
181.04596	2.6
187.07681	4.0
195.06577	52.9
195.08305	2.8
196.06976	2.7
201.09145	1.8
203.10728	8.1
205.03564	2.5
221.04552	2.0
221.11855	3.5
223.02463	2.0
223.06264	1.8
227.94952	1.4
233.06738	4.2
269.10318	84.9
270.10849	4.1
293.08966	2.9
327.07242	9.3
342.09576	10.4
348.08411	1.4
391.56598	1.6
401.10776	5.5
401.14758	63.3
402.15253	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	401.1818
Annotation	Spionoside B
Peak:m/z	Relative Intensity
55.23751	0.9
57.03323	5.4
58.00478	1.8
59.01253	30.9
69.03314	1.0
71.00893	1.6
71.01258	20.9
71.33031	1.1
72.99166	2.6
73.02808	3.2
83.01267	2.1
85.02825	7.3
87.00759	2.5
89.02324	12.4
94.41788	1.0
95.01260	1.4
101.02331	11.9
111.80557	0.8
113.02333	6.6
119.03384	4.4
119.08526	2.5
120.27922	0.9
121.02838	1.2
121.06458	0.9
124.13457	1.0
135.24985	1.0
137.09615	30.8
138.09932	1.8
149.09570	1.4
151.04007	1.1
161.04395	1.3
161.09570	1.4
177.12785	4.9
198.84923	1.2
221.11740	4.8
229.66351	0.9
239.12856	37.4
240.13194	3.0
285.93253	1.1
401.18173	100.0
402.18640	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	401.1816
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01757	5.5
57.03318	6.1
58.00470	2.4
59.00950	3.9
59.01249	72.3
59.48462	1.8
60.01589	2.2
62.39650	2.3
69.03344	3.1
70.66877	4.1
70.67232	4.6
71.01254	100.0
72.99194	6.0
73.02819	32.2
75.09473	2.0
82.27271	2.0
83.01249	15.2
85.02821	50.0
86.00042	2.0
87.00756	4.3
88.70444	2.3
89.02318	35.6
95.01267	4.9
97.02823	5.3
99.00750	14.1
101.02322	68.9
102.02641	2.3
111.00788	2.9
111.74512	2.2
113.02327	29.2
115.03910	2.6
119.03397	7.5
121.02893	2.5
123.04388	7.8
125.02321	6.2
131.03392	5.8
137.02342	4.3
141.06796	2.5
143.03421	3.3
149.04485	3.2
151.07564	2.6
151.11221	9.2
153.05487	10.1
159.02939	5.4
161.04451	35.1
163.37907	2.3
164.01060	23.2
165.01825	28.7
179.03432	18.9
179.05562	3.1
179.07008	3.1
179.10620	11.5
180.04178	31.1
181.04573	2.3
187.07547	2.7
195.06541	38.9
203.10736	9.0
205.03511	2.4
221.11781	9.0
223.02472	2.4
233.06688	5.7
269.10321	56.6
293.08755	3.3
321.18823	2.2
327.07303	7.4
342.09503	8.1
353.48392	2.4
401.10770	6.2
401.14740	52.6
402.15170	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	403.1612
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01751	1.9
57.03330	4.3
58.00465	5.1
59.01250	100.0
61.67747	1.2
61.98704	8.3
69.03327	1.6
71.01254	69.4
71.29289	1.2
72.01570	1.3
72.99182	7.7
73.02818	9.4
83.01257	5.3
85.02829	19.1
87.00740	5.5
87.04370	1.8
87.25717	1.3
89.02318	63.0
90.02673	1.3
95.01267	4.4
99.00764	4.1
99.04372	6.2
101.02325	42.4
102.02689	1.4
113.02325	28.2
114.02648	1.6
119.03380	24.7
124.05120	2.0
125.02393	1.4
129.01859	1.5
131.03381	2.3
134.03685	1.3
135.11684	4.5
137.09576	1.3
139.00259	1.4
143.03403	5.1
159.02913	1.8
160.03978	1.3
161.04500	8.1
161.09631	3.6
179.05486	8.9
179.10689	51.9
180.10994	1.8
180.61652	1.2
223.09706	92.7
224.10040	6.6
229.38188	1.4
241.10800	2.0
241.14386	11.5
313.15991	1.2
343.17715	4.4
375.20132	2.0
394.52707	1.3
403.15704	4.7
403.19998	19.6
404.20178	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.1612
Annotation	6-Deoxylamioside
Peak:m/z	Relative Intensity
55.01762	2.7
57.03317	2.3
58.00464	5.2
59.01255	100.0
61.98711	8.5
71.01257	65.8
71.01663	1.8
71.53627	1.5
72.99187	6.1
73.02819	6.8
80.93907	1.3
83.01273	5.4
83.38218	1.3
85.02831	20.9
87.00753	5.7
89.02322	58.4
95.01284	4.4
98.20190	2.1
99.00783	1.8
99.04413	7.0
101.02328	43.1
104.61366	1.3
110.08034	1.2
111.04424	2.4
113.02338	25.0
114.02685	1.5
118.81031	1.3
119.03387	24.5
125.02354	1.4
131.03404	3.1
135.11696	4.6
143.03419	4.7
149.04451	2.1
149.43407	1.3
150.07323	1.3
159.02858	2.0
161.04457	10.0
161.09584	2.3
179.05568	8.3
179.10707	44.1
180.10999	3.8
205.08459	2.0
223.09726	90.0
224.10077	6.1
241.10855	4.1
241.14413	8.4
343.17673	5.5
375.20148	3.7
403.15836	3.6
403.20062	20.8
404.20270	2.1
406.64560	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.1973
Annotation	Breyniaionoside A
Peak:m/z	Relative Intensity
51.44062	1.7
58.00471	3.1
59.01251	100.0
61.98701	31.2
66.26131	1.9
71.01254	63.3
71.04897	8.5
72.99185	8.1
73.02796	4.4
81.07584	1.7
83.01262	4.1
85.02808	11.4
87.00775	3.6
89.02318	69.4
95.01282	2.7
99.04385	10.9
101.02322	37.2
113.02333	24.8
113.21712	2.0
119.03390	28.2
131.03336	2.6
134.03613	2.6
142.84392	2.0
143.03407	4.0
149.04451	2.6
161.04475	5.7
163.65370	2.2
179.05527	9.1
182.40161	1.8
199.34044	1.8
223.13347	69.6
224.13681	6.5
244.77975	2.2
292.63470	1.9
361.18381	3.3
403.14581	4.3
403.19696	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	403.1971
Annotation	Pisumionoside
Peak:m/z	Relative Intensity
55.01756	1.3
55.18974	0.3
57.03327	1.6
58.00467	1.3
59.01251	55.3
60.01590	0.4
61.98698	1.5
69.03331	1.1
71.01253	22.6
71.04861	0.6
71.52911	0.5
72.01565	0.4
72.98836	0.3
72.99163	1.7
73.02818	6.8
73.08662	0.3
77.32838	0.3
83.01255	4.9
85.02822	10.7
85.99973	1.2
87.00749	3.4
87.04404	0.8
89.02314	5.3
95.01277	2.1
96.01612	0.3
97.02843	1.1
99.00749	2.7
101.02322	13.9
102.02671	0.5
111.00768	1.1
112.01563	0.3
113.02326	6.5
116.92764	0.4
119.03362	2.0
124.01559	0.3
125.02351	1.6
134.03612	0.4
143.03407	0.9
149.05946	0.4
153.12791	0.4
155.10667	1.0
156.95544	0.3
161.04498	0.9
179.05484	0.5
179.10741	2.2
181.12228	2.0
183.14024	0.3
185.15453	0.5
199.13321	8.2
200.13707	0.6
213.14934	0.8
221.25740	0.3
223.09694	4.1
223.13176	0.5
224.10025	0.3
241.14508	0.6
267.11243	0.4
271.09219	0.6
299.08688	0.9
317.19754	0.3
343.17599	17.7
344.18060	1.8
361.18665	47.7
362.18970	4.6
386.11725	0.4
403.19708	100.0
404.20053	11.7
414.40408	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.1971
Annotation	Pisumionoside
Peak:m/z	Relative Intensity
51.81557	0.7
55.01758	1.4
56.01971	0.7
57.03311	2.4
58.00461	1.8
59.01252	51.3
61.98706	12.8
64.04965	0.7
69.03333	2.1
69.65768	4.4
71.01253	29.5
72.99174	2.5
73.02818	8.8
75.00713	0.8
77.22744	0.7
83.01248	5.9
85.02824	14.7
85.99978	1.1
87.00752	3.8
87.04361	0.9
89.02312	4.1
95.01278	1.8
97.02827	1.8
98.20045	2.2
99.00755	3.0
101.02322	15.6
112.01595	1.2
113.02342	6.3
119.03402	1.1
124.01600	1.0
125.02329	2.0
128.92062	0.8
137.09694	0.8
143.03374	1.2
144.22424	0.8
150.96503	0.8
161.04434	1.3
181.12225	1.9
194.99864	0.7
199.13322	13.3
239.44772	0.8
315.43036	0.7
343.14557	0.8
343.17624	23.4
344.17938	2.0
361.18677	60.6
362.19043	6.7
403.19720	100.0
404.20068	11.8
407.46445	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.2704
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13593	1.2
57.03326	1.2
59.01255	13.4
61.98711	19.1
70.66920	2.9
71.01239	2.6
72.63079	1.1
89.02319	4.4
91.03888	21.2
99.08040	5.2
125.09673	1.7
127.11207	4.2
139.11189	2.9
171.10213	7.6
183.13901	6.3
193.12257	1.9
211.13365	35.5
212.13681	2.3
229.14415	19.9
230.14725	2.4
283.10992	2.7
293.21359	1.5
311.22330	9.6
329.23331	100.0
330.23605	11.0
387.85675	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.27
Annotation	Unknow
Peak:m/z	Relative Intensity
52.48710	2.9
59.01247	100.0
61.98703	41.1
68.79655	3.4
69.01025	3.4
69.98470	3.9
69.98832	12.3
84.22528	2.9
121.34028	3.4
161.70020	3.8
269.21182	3.7
288.18375	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	405.0164
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01248	5.9
61.98700	5.0
67.53938	4.1
72.99214	6.3
73.13403	4.3
82.97649	4.2
85.02839	8.4
87.00762	13.0
96.95906	11.7
111.00757	36.0
113.02387	4.8
120.97424	5.0
125.00826	16.6
126.98779	69.5
127.99049	6.6
155.58838	5.6
167.01990	10.4
168.99867	42.9
191.01935	35.2
195.01486	7.5
196.99373	100.0
197.99460	5.5
200.79482	4.6
205.46541	4.8
282.99591	10.9
301.00555	13.9
385.21548	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	405.1768
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03323	2.4
58.00451	0.8
59.01251	100.0
60.01582	1.5
61.98729	0.8
63.02588	0.8
69.03334	3.9
71.01248	11.1
71.01617	0.9
71.04890	1.1
72.99189	1.0
73.02827	2.2
78.15790	0.6
82.76688	0.6
83.01238	1.1
85.02825	3.3
87.00777	0.9
89.02316	12.5
95.01262	1.2
98.19852	1.9
101.02328	7.6
111.08048	0.8
113.02325	7.0
114.55626	0.6
119.03377	5.6
139.11197	6.3
143.10718	2.4
161.04466	3.4
179.05582	2.1
183.10185	44.6
184.10570	2.0
192.62367	0.7
225.11407	2.3
243.16066	1.9
329.11258	0.8
345.15656	1.4
357.92697	0.7
405.21530	6.9
415.23590	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.1766
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	44.5
71.01254	21.0
71.30544	4.5
73.02817	6.0
79.42599	3.2
85.02824	4.3
87.00727	3.8
89.02328	23.2
99.04359	3.5
101.02322	10.8
113.02329	7.7
119.03376	10.1
151.68614	2.6
156.89101	2.4
162.38103	2.5
163.11111	2.8
164.81726	2.5
181.12253	34.4
186.61261	2.2
218.81438	2.6
225.11276	100.0
226.11682	7.0
296.97189	2.4
327.84625	2.6
347.01651	2.4
390.84781	2.5
405.17569	35.7
406.17795	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	405.2126
Annotation	Breyniaionoside B
Peak:m/z	Relative Intensity
55.01752	1.6
57.03334	1.7
58.00467	4.0
59.01249	76.3
61.98684	0.8
69.47090	3.7
71.01253	51.9
71.04887	7.4
72.99172	4.6
73.02831	2.2
83.01263	2.0
85.02820	9.5
87.00753	2.4
89.02315	62.8
90.02667	1.6
95.01250	3.1
97.02922	0.6
97.38400	0.5
98.20586	1.0
99.00764	1.0
99.04396	12.0
101.02319	30.5
113.02325	21.1
113.05963	2.2
114.02685	1.1
119.03391	27.2
125.02316	0.6
131.03404	3.1
143.03383	5.4
149.04474	2.0
160.44070	0.6
161.04424	4.6
179.05524	11.5
180.05873	0.7
181.12213	0.6
225.14903	100.0
226.15240	7.4
249.44701	0.6
300.72974	0.7
363.20261	0.9
403.10864	0.6
405.21219	9.8
406.21420	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.1924
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01248	100.0
61.98684	3.8
70.55365	5.6
71.01249	19.3
73.02826	4.8
75.00739	26.5
79.95612	3.1
81.74007	2.3
85.02818	8.7
89.02325	16.1
98.98711	2.5
101.02326	19.6
113.02318	10.5
113.74966	2.7
119.03382	4.8
120.47681	2.2
161.04474	17.2
165.09138	5.6
167.10741	2.4
179.05496	3.0
182.63318	2.4
185.11682	3.5
255.01134	2.5
347.17160	14.2
365.18192	5.1
384.39282	2.8
407.10406	17.2
407.18970	3.4
407.26514	6.2
408.09848	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	407.1923
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03323	14.9
59.01252	100.0
60.01588	1.8
61.99884	1.0
69.03285	1.1
70.44908	1.4
70.45256	2.3
71.01257	16.4
71.04892	43.3
72.05213	1.2
73.02822	6.1
73.79248	0.9
81.23322	0.9
83.01265	3.9
85.02818	8.1
89.02322	2.3
95.05014	1.0
97.02827	1.3
98.20452	1.2
99.00761	2.6
99.04388	12.8
101.02328	17.7
111.00712	1.0
113.02319	8.0
113.05968	16.6
114.06285	1.6
115.03861	2.1
119.03382	1.8
125.02299	3.0
129.26170	1.0
134.03609	2.4
139.03891	4.8
149.05980	1.3
159.02927	1.2
161.04509	5.0
185.11752	22.6
186.12111	1.6
198.38017	1.0
249.13455	6.4
263.14999	4.3
300.69843	1.2
315.05072	1.5
351.90280	1.0
407.17828	1.7
407.22900	33.4
408.23120	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	407.205
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01260	44.2
61.75738	7.1
68.57308	7.3
71.01260	36.1
71.52780	6.0
76.63367	5.4
82.19780	6.0
96.95969	5.8
102.45515	6.2
110.92047	6.3
121.02878	8.7
123.04446	8.7
127.07554	17.1
171.10089	7.5
197.11859	14.0
207.09944	16.5
209.11774	27.5
210.12178	8.4
221.07849	12.5
260.10287	26.5
278.11414	100.0
307.19229	36.8
325.20020	18.5
329.17462	35.8
347.18085	29.7
407.07599	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	407.2204
Annotation	1-(9Z-hexadecenoyl)-glycero-3-phosphate
Peak:m/z	Relative Intensity
50.14184	0.5
57.43117	0.5
59.01245	1.7
70.28510	1.6
76.33447	0.5
78.95776	100.0
80.04966	0.5
87.41997	0.5
93.02594	0.5
96.96836	9.8
97.37117	0.4
98.20422	0.6
107.93703	0.6
119.36738	0.5
133.55722	0.6
133.70764	0.5
135.86511	0.5
150.97942	1.4
152.99490	87.0
153.99815	1.3
171.00555	65.9
172.00874	1.1
200.50169	0.6
208.25967	0.6
233.26628	0.5
269.91125	0.6
273.26453	0.6
407.22049	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	407.229
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01763	1.2
57.03326	1.3
58.00487	0.4
59.01255	98.0
60.01593	1.4
61.98700	0.4
69.03335	0.5
70.44992	0.8
71.01260	14.8
72.01596	0.5
72.99197	0.7
73.02827	5.7
75.00773	0.4
83.01263	3.3
85.02829	8.7
85.99986	0.7
87.00774	0.9
89.02328	2.5
95.01285	1.3
98.19949	0.5
98.20489	0.4
99.00755	2.0
101.02328	16.0
101.03008	0.8
111.00771	0.6
113.02337	6.2
119.03423	0.3
125.02278	0.4
131.87196	0.3
143.03532	0.4
159.02919	1.3
161.04475	4.1
165.12787	0.5
167.10728	0.7
221.06688	0.4
234.48723	0.4
240.56108	0.3
326.07132	1.0
347.20703	5.0
348.21338	0.5
389.21680	0.9
407.22882	100.0
408.23218	11.6
424.50812	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.1715
Annotation	Unknow
Peak:m/z	Relative Intensity
51.25885	6.7
59.01249	88.2
65.06052	6.1
69.42185	17.4
69.42593	27.5
71.01254	100.0
73.02841	16.0
76.97652	6.5
78.18869	6.0
80.81166	7.7
85.02820	40.1
87.00752	12.5
89.02321	83.1
95.01279	7.4
96.84779	6.1
99.00766	9.7
100.96364	7.5
101.02322	77.7
113.02318	47.2
113.58087	6.1
119.03419	40.9
143.03340	11.0
150.85556	6.3
161.04477	32.3
179.05493	47.9
185.96263	6.3
221.06650	14.9
241.40240	5.8
358.33060	6.6
409.17041	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	409.208
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03312	9.1
59.00948	5.5
59.01249	100.0
61.98738	2.7
70.27520	5.5
70.27922	4.7
71.01254	35.3
72.52802	2.2
73.02820	6.7
79.11684	2.4
84.08173	2.4
85.02806	12.7
85.94292	2.3
87.00731	2.7
89.02304	14.2
95.01250	2.8
96.85091	3.1
99.00753	3.6
99.04377	9.0
101.02313	27.5
113.02340	13.6
119.03417	8.3
120.44460	2.4
125.02332	5.4
159.02881	3.4
161.04445	12.0
179.05399	2.6
200.83894	2.4
349.18546	26.3
409.21411	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2208
Annotation	Unknow
Peak:m/z	Relative Intensity
51.44555	2.5
53.70724	2.5
55.23187	2.3
55.81230	2.1
57.03320	5.6
59.01247	20.0
61.98694	4.0
64.29527	2.2
69.03320	15.3
70.59279	4.3
73.04394	2.5
75.59241	2.4
78.95770	7.4
79.95624	3.0
85.02818	32.4
96.95891	5.9
97.02251	3.9
97.02830	55.5
98.20090	4.7
98.20676	2.3
113.02307	2.5
113.57652	2.2
125.09653	3.9
137.09618	20.2
150.26347	2.4
152.99480	14.7
155.10690	2.7
165.08963	3.9
165.12796	4.2
171.10175	57.9
172.10567	2.4
193.08392	100.0
194.08707	3.9
207.09917	4.7
209.07834	3.1
211.08205	3.1
211.13367	2.8
222.08730	14.4
231.10095	3.1
233.11540	16.9
249.11018	3.7
251.11264	4.6
251.12692	3.4
254.07657	2.5
261.11139	6.0
279.11942	4.6
282.31793	2.4
294.10788	9.4
327.21738	67.1
328.22070	7.5
331.17633	12.9
332.05142	2.3
332.18109	2.4
334.50790	2.2
349.19754	39.3
350.19937	4.1
409.18942	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	409.2358
Annotation	1-palmitoyl-sn-glycerol 3-phosphate
Peak:m/z	Relative Intensity
55.79185	0.4
59.01250	0.3
62.96269	0.4
64.12571	0.4
71.33495	0.4
71.33838	0.4
78.95774	68.2
96.96825	4.5
100.09689	0.4
127.93126	0.3
150.97923	1.3
152.99484	100.0
153.99837	1.3
162.88966	0.4
171.00534	2.6
180.41370	0.4
255.23181	2.0
263.72125	0.4
409.23593	14.3
410.23947	1.4
433.09613	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2359
Annotation	Unknow
Peak:m/z	Relative Intensity
54.24587	0.2
59.01266	0.3
59.73866	0.2
62.96280	0.3
70.55562	0.7
78.95772	67.7
96.96843	6.6
115.22179	0.2
115.45551	0.2
135.02805	0.3
150.97900	1.5
152.99483	100.0
153.99820	1.6
171.00540	3.8
185.02361	0.3
190.33984	0.3
226.89310	0.3
241.21664	0.6
250.18962	0.3
255.23250	1.8
269.03952	0.3
409.23639	12.3
409.29340	1.3
410.23950	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.166
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04860	1.1
59.01251	100.0
60.01566	1.1
71.01240	4.0
71.53396	0.9
71.53874	1.1
73.02835	1.0
81.52615	1.0
101.02322	2.2
113.02270	1.1
121.01186	1.0
157.17410	1.0
182.00795	1.2
231.13631	1.2
249.14940	2.6
276.69513	1.1
338.15259	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.2364
Annotation	Unknow
Peak:m/z	Relative Intensity
53.11422	1.7
57.03324	1.6
59.01255	7.8
61.98715	2.2
72.26138	1.7
72.26534	1.7
83.04839	1.8
98.19839	3.0
99.08044	5.2
108.44251	1.6
116.52883	1.5
125.09621	3.4
127.11208	3.6
139.11186	9.4
141.03911	2.2
141.09126	1.9
157.12212	2.2
162.02202	3.3
165.12793	18.8
171.10176	14.8
183.13881	3.6
193.08394	33.0
193.12112	3.1
195.98091	1.5
205.12044	3.1
207.10017	2.0
209.07788	1.9
211.13335	22.2
219.09958	2.8
221.11555	10.9
223.11957	2.1
229.14383	11.8
231.10030	7.4
233.11555	100.0
234.11900	6.5
249.11295	14.7
251.00912	1.8
251.12582	29.5
252.11485	3.6
264.76614	2.0
310.58902	1.6
329.23325	63.4
330.23566	5.7
351.21503	76.2
352.22055	7.6
411.22549	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	411.275
Annotation	Unknow
Peak:m/z	Relative Intensity
50.72166	4.1
53.47451	4.1
59.01253	100.0
70.91602	8.8
80.17937	4.1
108.47376	5.2
146.88950	4.1
173.29378	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	411.2752
Annotation	Unknow
Peak:m/z	Relative Intensity
51.29928	3.7
59.01253	100.0
69.58644	11.5
69.59056	12.1
77.66813	3.7
78.95770	25.3
81.87721	4.2
82.30369	4.4
83.57532	4.6
98.19804	9.5
122.64016	3.9
142.24773	3.8
152.99481	35.8
153.99832	6.2
154.99925	23.1
200.65468	4.6
212.61620	5.0
341.29730	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	412.1826
Annotation	Unknow
Peak:m/z	Relative Intensity
52.76408	0.9
57.03318	1.4
59.01248	7.7
61.98702	100.0
65.67547	0.9
66.39079	0.9
70.67536	2.0
71.01245	5.2
73.02808	2.1
82.94077	1.0
85.02821	2.9
89.02316	2.5
101.02312	3.8
113.02299	2.4
117.59942	1.2
137.40524	1.0
161.04437	1.8
165.27011	0.9
252.39682	1.1
255.18008	1.2
357.09827	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.1093
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	2.2
65.02563	0.4
71.01273	1.1
73.02843	0.5
89.65236	0.4
98.19754	1.0
98.20440	2.0
102.17920	0.4
108.02055	3.7
109.02861	2.1
111.00749	0.6
111.36816	0.4
121.02848	6.8
123.04428	1.0
134.03647	0.4
135.04448	0.9
149.02356	12.3
150.03140	100.0
151.03456	5.1
151.67021	0.4
152.01085	4.4
152.04443	0.4
153.01787	2.2
163.03899	0.8
164.08347	1.7
165.05496	60.1
166.05794	3.2
176.01135	0.9
180.06477	0.4
193.01312	1.7
194.02196	6.5
208.93193	0.4
209.04517	31.5
210.04854	2.0
223.06178	0.6
309.09830	0.9
315.07272	0.9
339.58591	0.5
348.66953	0.5
354.09528	1.0
369.11798	1.5
413.10806	6.0
413.15912	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.1453
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39125	1.0
53.65553	1.0
57.03326	100.0
58.03656	1.9
59.01251	84.1
71.01249	19.1
71.53410	1.6
73.02818	7.8
77.06919	1.1
77.32933	1.0
79.90951	1.0
81.03344	1.8
83.01245	3.2
85.02822	11.8
89.02308	3.7
95.01266	1.6
98.20052	1.3
99.00771	3.4
99.04392	83.7
100.04722	1.4
101.02322	30.6
113.02325	7.4
121.61311	1.2
125.02338	27.3
126.40591	1.2
130.27895	1.2
143.03348	1.6
159.02895	2.7
161.04495	8.9
198.11342	1.1
216.23586	1.4
269.10278	23.2
270.10510	2.0
311.11453	1.6
413.14285	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	413.1815
Annotation	Unknow
Peak:m/z	Relative Intensity
56.14002	0.6
59.01249	100.0
60.01579	1.2
69.24132	6.0
79.22089	0.6
80.76469	0.6
89.02318	0.7
98.20581	1.2
101.02338	0.9
121.02829	1.1
149.09619	26.5
150.09998	2.4
176.87904	0.6
297.37949	0.6
413.22009	1.1
416.92215	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.1815
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	100.0
71.01243	5.5
73.02833	2.4
85.02824	5.1
89.02318	2.2
92.50745	1.7
93.03336	7.8
101.02277	2.9
112.22539	1.9
123.28657	1.9
128.02066	1.8
137.02335	12.4
161.04387	2.5
230.39110	1.9
328.14490	2.0
408.53540	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
56.48978	3.5
59.01252	100.0
60.96591	3.8
67.54509	3.4
71.11299	7.6
92.93552	3.7
124.59421	4.0
128.34424	3.4
145.38507	3.8
165.90306	3.7
265.50748	4.2
265.80304	4.0
325.63177	4.1
373.14346	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	413.2908
Annotation	Unknow
Peak:m/z	Relative Intensity
57.14096	6.9
59.01252	100.0
70.91907	11.5
100.09398	6.6
119.47646	7.7
130.44908	6.7
135.04443	23.7
230.54132	7.9
312.82684	9.2
345.38809	8.2
413.30655	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	414.2109
Annotation	Unknow
Peak:m/z	Relative Intensity
56.26610	0.8
59.01243	2.6
60.29294	0.7
61.98704	100.0
67.36414	0.9
81.26733	0.9
87.66955	0.9
121.02866	1.1
121.21020	0.8
168.61412	0.8
173.01138	0.9
209.08670	0.9
229.56232	1.0
271.92160	0.8
329.23114	4.1
360.32608	0.9
414.20853	8.6
415.20490	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.1249
Annotation	Unknow
Peak:m/z	Relative Intensity
56.57128	2.0
59.01249	20.4
59.95181	2.0
65.95648	1.8
70.14093	1.7
71.01266	10.6
71.53387	2.8
72.99178	3.5
73.02813	3.7
85.02811	11.4
89.02338	3.1
95.01278	5.9
96.04419	2.2
101.02341	6.8
108.02055	97.6
109.02855	59.5
113.02319	5.4
121.02824	6.4
123.00726	3.3
127.18538	2.2
150.03114	5.6
151.03920	2.8
152.01064	93.2
153.01840	34.2
161.04442	4.9
164.82990	1.7
165.01839	1.9
165.05496	2.6
195.02786	2.2
209.48271	1.8
315.07205	4.9
357.08215	15.7
363.21976	2.1
397.11160	6.2
397.21213	2.3
415.12405	100.0
416.12921	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	415.1247
Annotation	Unknow
Peak:m/z	Relative Intensity
57.23832	1.5
59.01234	10.0
61.98696	6.6
67.56606	1.4
71.01268	8.1
71.53038	1.8
71.53400	1.8
73.02811	13.3
73.56142	1.5
75.95493	1.3
81.03293	2.4
82.44571	1.5
83.01281	1.8
85.02836	6.3
95.01262	5.9
99.00744	3.5
101.02315	4.0
108.02052	82.8
109.02843	59.5
110.03146	2.2
113.02334	3.8
117.05462	2.8
121.02823	2.7
123.00787	4.6
152.01054	83.4
153.01840	28.9
161.04486	3.8
165.01939	1.7
231.92267	2.0
232.07886	1.4
297.05951	1.7
315.07608	1.7
371.09784	6.4
397.11697	3.5
415.12427	100.0
416.12741	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	415.1461
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01764	2.4
57.03323	1.8
58.00467	3.6
58.50570	0.8
59.01255	100.0
60.01589	1.5
68.99702	0.9
69.03334	4.0
70.14149	2.5
71.01258	73.4
72.01592	1.3
72.99187	7.0
73.02821	7.6
75.00785	0.9
77.75771	0.7
81.03340	3.1
83.01267	6.8
85.02830	16.1
87.00761	13.9
89.02322	79.3
90.02680	1.3
91.03902	1.2
95.01270	4.7
97.02842	7.3
99.00756	3.8
101.02329	61.2
102.02691	1.4
103.00254	1.7
109.02882	0.9
111.00757	1.2
113.02341	29.1
114.02637	0.9
119.03398	25.8
125.02344	12.4
127.03925	1.0
131.03418	2.9
141.01886	0.8
143.03397	9.0
149.04489	2.6
161.04459	12.2
162.64838	0.8
179.05539	24.7
185.04529	1.8
195.19264	0.8
203.05452	0.9
219.05052	1.1
221.06633	6.3
235.08221	11.5
236.08641	0.8
253.09233	9.4
263.07727	4.6
287.07776	1.8
305.08856	2.0
323.09796	1.3
397.13312	0.9
415.14584	92.6
416.14847	8.3
430.32343	0.8
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
59.01250	100.0
60.01587	1.1
61.98702	0.3
62.84011	0.2
70.28220	0.3
71.01263	0.9
72.99184	0.3
73.02821	0.4
85.02834	0.5
89.02326	0.6
91.11174	0.2
91.31305	0.2
91.78557	0.2
94.57472	0.2
101.02350	0.8
113.02398	0.3
119.03411	0.3
133.02861	0.6
175.03969	0.5
177.01881	0.3
178.02695	0.2
207.02896	0.4
313.16611	0.3
330.39847	0.2
359.83487	0.2
380.88416	0.2
415.23322	0.4
416.22757	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.1975
Annotation	Unknow
Peak:m/z	Relative Intensity
53.06383	1.3
59.01252	100.0
60.01589	1.3
69.91765	5.4
71.01255	4.6
73.02804	2.5
85.02833	2.5
89.02314	4.1
98.20444	2.0
101.02323	5.4
105.50327	1.4
113.02293	2.1
130.08694	1.2
145.02826	1.2
161.04456	1.8
185.07095	2.0
195.55042	1.1
267.82599	1.3
352.68646	1.2
415.23328	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	415.2314
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01229	3.2
66.78034	0.9
74.98962	7.9
77.00539	80.6
98.19776	2.9
101.46668	1.0
105.09659	1.1
105.91669	0.9
121.64392	1.0
147.08083	1.6
150.18132	0.9
163.11198	2.3
187.11218	2.3
224.11433	1.1
226.75848	1.1
276.10684	0.9
279.13940	1.3
280.14352	0.9
300.53522	1.2
309.22296	1.5
337.21716	100.0
338.22137	13.0
415.23041	13.0
416.23337	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	417.1404
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	25.4
61.98693	0.6
65.12453	0.6
69.70943	1.2
69.71354	2.4
69.81252	0.6
71.01245	4.4
73.02829	1.3
75.00742	0.7
79.87294	0.5
85.02824	2.1
86.85584	0.5
87.00761	0.7
89.02345	2.6
89.26553	0.5
98.20557	0.6
101.02307	3.0
113.02332	1.8
116.79059	0.5
119.03387	0.9
121.02842	100.0
122.03171	3.3
135.37411	0.6
137.02307	0.7
144.73059	0.5
151.00246	1.6
153.09111	2.7
161.04465	1.7
164.04857	0.6
166.02640	4.0
181.04985	5.2
182.88574	0.5
193.12260	1.0
195.10223	0.7
200.11375	0.6
220.05446	0.6
237.11281	1.0
255.12231	3.0
331.14139	0.6
357.11649	0.7
357.15692	0.8
387.10965	0.7
417.17587	10.9
418.17929	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.1556
Annotation	Magnostellin B
Peak:m/z	Relative Intensity
52.36387	0.2
59.01263	1.0
65.00204	0.3
67.01772	0.6
69.03314	0.3
71.01258	0.8
71.53799	0.4
74.75529	0.2
81.03356	0.4
84.02057	0.3
84.96901	0.2
85.02836	0.8
86.30145	0.2
87.98116	0.2
88.12263	0.2
89.02330	0.5
93.03374	0.5
95.01271	1.0
95.04906	0.4
97.02837	0.2
101.02363	1.0
105.03332	0.2
109.02837	3.6
111.00807	0.5
115.04375	0.2
121.02853	0.9
121.06497	0.3
123.00776	4.4
123.04424	0.7
124.01601	0.5
125.02325	1.0
131.04869	0.2
133.02852	0.5
135.04436	0.2
137.02354	15.6
138.02925	0.4
139.00348	0.4
139.03912	0.9
147.04480	0.3
149.02335	1.6
150.03136	0.7
151.00284	26.7
151.03931	1.8
152.01062	2.8
152.04700	3.0
153.05508	0.5
159.04454	0.5
159.14946	0.2
160.05168	0.2
161.02336	0.5
162.03189	0.4
163.03952	0.7
164.04707	0.5
165.01875	1.1
166.02640	66.9
167.03259	5.5
168.04185	0.3
173.02411	0.4
174.03229	0.4
175.03915	1.9
175.07617	0.3
176.01086	0.3
177.01851	4.3
177.05379	0.5
178.02548	0.7
179.03427	0.8
179.07062	0.3
181.04996	100.0
182.05321	5.7
184.03677	1.1
189.05521	0.4
190.02612	0.3
190.06285	1.1
191.03424	1.5
191.06863	0.3
192.04251	1.5
193.05011	1.2
194.05573	0.2
195.02925	0.5
203.03468	0.5
204.04294	0.2
205.05002	1.4
205.08644	1.6
206.05627	0.4
207.06586	2.0
209.04456	0.3
217.05029	0.5
218.05750	0.3
219.06619	1.0
220.07140	0.3
233.08110	0.3
299.05676	0.4
301.07178	0.7
313.07114	0.3
314.08032	0.4
316.09781	0.4
329.10260	0.7
339.08868	0.3
341.10397	0.3
344.09341	0.4
356.12704	0.5
357.09723	0.6
359.11362	2.5
367.62271	0.2
371.14957	0.9
387.10855	15.4
388.11200	1.8
402.13220	13.0
403.13458	1.9
417.15570	28.6
418.15952	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	417.1772
Annotation	Unknow
Peak:m/z	Relative Intensity
53.22269	1.1
57.03317	1.6
59.01256	100.0
61.98412	2.1
61.98708	21.3
69.37693	5.2
69.38103	2.4
71.01256	23.9
73.02825	3.7
75.00765	1.2
83.01261	1.7
85.02822	7.6
87.00793	1.9
89.02322	18.1
93.64403	1.1
95.01299	2.2
99.00702	1.4
101.02330	15.6
113.02342	13.9
119.03389	9.2
130.02617	1.3
131.03487	1.7
137.02373	1.9
143.03377	2.8
151.00267	3.1
161.04454	17.0
166.02600	10.0
177.09137	5.0
179.05612	6.9
181.05009	13.7
207.13049	1.2
292.56470	1.4
357.15533	22.7
358.15918	3.1
381.14545	3.1
399.15778	3.4
402.13382	2.2
417.16681	14.2
418.16788	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	417.1768
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01750	2.8
57.03314	1.5
58.00462	2.0
59.01252	100.0
60.01591	1.2
69.03324	3.1
69.51586	5.4
71.01254	65.9
71.04887	2.8
72.01598	1.6
72.02057	1.2
72.99187	4.5
73.02821	70.0
74.03162	1.9
75.00753	3.2
81.03329	1.9
83.01257	22.4
83.04899	2.5
85.02810	7.2
87.00748	1.5
89.02316	10.3
95.01258	1.4
95.04906	7.1
97.02834	2.3
97.06467	3.5
99.00781	2.1
101.02325	52.8
101.57670	1.0
102.02638	1.7
107.04914	8.0
109.01685	0.9
113.02325	14.3
113.05977	1.4
115.07518	7.1
119.03405	3.2
121.02839	0.9
125.02336	2.6
131.03409	3.0
135.08086	1.2
135.69412	0.9
136.05211	4.3
139.11214	5.3
139.12167	1.0
143.03406	2.7
149.04427	1.3
149.09615	2.5
151.11197	58.4
152.11562	2.7
153.12758	2.0
155.03395	2.2
160.82919	1.0
161.04457	6.5
162.04813	0.9
164.08296	2.8
167.10669	1.9
167.14301	1.0
169.12233	7.0
177.09120	8.9
185.11690	4.8
193.12294	5.5
195.10202	82.7
196.10561	5.8
209.11720	1.2
211.13351	4.1
212.60127	1.0
213.11290	12.2
417.20828	7.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.1765
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67719	1.9
59.01250	100.0
60.01606	2.3
65.14978	2.0
71.01262	17.9
73.02822	5.7
74.01063	2.1
81.42738	2.2
83.01269	3.1
85.02837	7.3
89.02333	10.9
98.87324	2.4
99.04403	3.2
101.02324	8.1
113.02335	4.2
114.15627	2.2
119.03375	6.0
124.06548	2.5
126.75790	2.0
151.00307	2.4
193.12270	4.9
305.47794	2.1
308.38147	2.3
417.21027	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	417.213
Annotation	Unknow
Peak:m/z	Relative Intensity
54.94312	0.4
59.01250	100.0
60.01587	1.2
63.20326	0.3
67.40202	0.4
68.25236	0.3
70.66884	0.6
70.67208	0.6
71.01250	1.1
73.02847	0.6
75.00755	0.8
84.84293	0.3
85.20647	0.3
89.02313	0.4
101.02357	0.8
101.07094	0.4
113.02352	0.5
140.11215	0.4
161.04454	0.4
175.55266	0.4
181.18338	0.4
237.09669	0.4
275.55850	0.4
295.71695	0.4
391.99472	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.213
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	100.0
60.01579	1.2
69.45099	3.6
71.01241	1.1
75.00751	1.6
81.03330	2.1
83.04900	6.7
83.05388	0.9
85.86773	0.6
96.50500	0.6
98.20509	1.0
101.02332	0.6
103.82629	0.7
121.02855	2.6
121.69278	0.6
165.01947	1.2
217.10811	2.4
227.99921	0.6
235.11748	0.6
384.22824	0.7
396.77332	0.7
410.17831	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.2136
Annotation	Unknow
Peak:m/z	Relative Intensity
53.74066	1.6
55.01755	3.2
57.03337	2.1
59.01258	64.4
60.01597	1.8
71.01262	42.7
71.53385	1.5
73.02493	1.7
73.02820	18.8
75.00735	2.7
79.05435	1.9
79.67972	1.5
83.01247	7.1
83.04896	1.9
85.02833	15.3
87.00740	1.7
89.02326	19.5
95.01294	2.3
95.04894	2.4
97.06480	3.6
99.00745	2.8
101.02333	28.6
113.02354	16.8
119.03371	7.7
125.02343	1.8
142.88676	1.8
143.03407	2.1
151.11208	3.4
159.02827	2.2
161.04443	7.7
175.11209	6.6
179.05539	3.1
181.12233	2.4
193.12219	3.8
195.10199	6.6
237.11211	7.4
237.14825	3.0
255.15932	3.8
342.12964	2.6
357.15430	6.3
417.21201	100.0
418.21469	10.2
435.51871	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	419.1924
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	100.0
61.98695	2.2
67.40432	1.7
70.73875	4.1
71.01245	7.4
71.04898	2.3
71.30780	1.9
73.02811	4.3
73.40939	1.7
79.64272	1.8
83.01234	1.8
85.02806	3.5
89.02313	4.2
101.02321	5.3
113.02309	5.8
119.03342	2.7
148.49245	1.9
161.04558	2.3
176.48589	2.1
197.11787	41.3
198.12015	3.1
239.12865	2.4
257.60492	1.9
271.14423	3.0
285.22415	2.3
329.15143	2.3
355.11545	2.1
359.16971	1.9
419.19122	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	421.0813
Annotation	Unknow
Peak:m/z	Relative Intensity
53.67530	4.5
59.01251	10.0
66.58520	4.7
70.29192	10.6
70.29556	9.6
71.01261	8.3
71.33436	4.6
78.98476	10.2
79.95613	10.2
80.95975	6.6
80.96404	83.6
87.93459	4.0
94.97987	21.9
95.07883	4.0
101.02283	7.7
121.02840	16.4
122.97490	7.7
134.97545	4.6
152.98515	12.1
164.98570	11.4
167.07077	7.8
188.86688	4.3
225.00655	19.5
228.05362	4.8
241.10612	7.0
299.04559	5.4
421.08069	100.0
421.17026	11.6
422.08469	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	421.081
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01245	2.5
61.60688	0.6
63.96101	1.3
68.87785	0.6
69.03346	0.7
69.51646	3.2
71.01254	8.5
73.02811	3.1
78.98460	6.4
79.95604	10.0
80.96391	69.9
85.02818	3.4
87.00751	3.4
94.97962	15.7
96.95890	1.8
97.02840	2.0
99.00780	0.6
101.02322	3.6
106.97963	3.5
112.75254	0.6
121.02850	9.3
122.96633	0.6
122.97463	2.8
123.08071	1.1
125.02348	2.8
127.03871	1.0
134.97472	4.3
136.99063	1.5
140.93579	0.6
148.99071	6.4
152.98552	6.6
164.98550	10.4
164.99857	1.1
167.07115	3.2
192.43648	0.7
197.11795	0.7
206.99620	2.0
225.00706	14.6
241.10831	3.4
281.17810	0.8
299.04474	7.3
394.70859	0.6
408.80908	0.6
421.08102	100.0
421.17288	3.4
422.08414	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	421.0987
Annotation	Unknow
Peak:m/z	Relative Intensity
56.23115	6.5
57.03320	6.1
59.01253	83.2
61.98689	19.4
69.03316	13.3
71.01246	51.9
71.08300	8.3
72.99181	7.9
73.02837	9.8
75.00733	20.1
81.03337	14.7
83.01263	8.3
85.02859	41.2
87.00745	14.7
89.02309	19.2
93.03334	20.2
95.01253	6.9
99.00758	13.1
99.04370	7.4
101.02299	19.0
108.02058	24.0
109.02832	79.6
113.02338	34.6
119.03364	7.6
125.02337	8.9
129.01891	8.9
137.02339	38.9
153.01831	100.0
154.02153	7.4
155.10641	11.5
164.07024	7.6
171.02853	9.1
217.10725	7.9
237.48842	6.5
241.10835	14.3
241.14508	14.9
243.46434	6.6
249.06075	34.2
258.03659	6.1
259.11823	12.5
267.07123	34.8
274.86960	6.7
316.89828	7.4
387.09393	10.0
421.09122	7.0
421.20877	22.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.1717
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27306	1.1
56.52720	1.1
59.01257	27.4
68.25118	1.0
69.78939	5.5
71.01254	14.4
72.99198	1.6
73.02821	35.7
73.53098	1.1
80.96384	4.4
81.89309	1.1
85.02821	3.4
89.02309	16.1
94.97990	1.1
98.20450	1.5
101.02354	7.3
103.59375	1.3
105.06983	2.1
107.04893	1.7
113.02333	6.8
119.03410	6.5
123.08067	15.4
138.92677	1.1
143.03439	1.2
144.34300	1.0
149.04434	1.3
160.26324	1.0
161.04440	1.6
167.07066	73.9
168.07365	5.2
179.05473	6.4
179.10664	1.9
197.11789	14.7
241.10802	93.6
242.11191	7.0
259.11884	2.5
347.13626	5.3
359.37628	1.1
421.08850	7.9
421.17139	100.0
422.17422	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	421.1721
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03329	13.2
59.01253	80.3
61.48584	6.4
69.31178	12.7
69.31582	43.8
71.01258	30.8
73.02814	61.4
73.70371	6.2
78.20402	6.5
89.02319	28.1
96.95895	18.7
101.02345	23.9
102.71127	6.2
111.45857	6.3
113.02361	9.8
119.03374	15.5
123.08014	16.5
146.08119	11.1
155.10651	12.5
167.07036	76.2
197.11708	20.8
217.10771	14.3
223.06331	8.1
241.10817	92.4
258.01740	22.3
259.02496	43.6
259.11789	14.9
271.02542	29.0
272.03278	29.0
273.03934	6.5
277.12283	9.5
301.03543	100.0
331.04611	59.0
355.00085	8.2
403.06604	10.5
421.07944	53.8
421.16971	91.1
422.17551	14.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.1721
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03329	13.2
59.01253	80.3
61.48584	6.4
69.31178	12.7
69.31582	43.8
71.01258	30.8
73.02814	61.4
73.70371	6.2
78.20402	6.5
89.02319	28.1
96.95895	18.7
101.02345	23.9
102.71127	6.2
111.45857	6.3
113.02361	9.8
119.03374	15.5
123.08014	16.5
146.08119	11.1
155.10651	12.5
167.07036	76.2
197.11708	20.8
217.10771	14.3
223.06331	8.1
241.10817	92.4
258.01740	22.3
259.02496	43.6
259.11789	14.9
271.02542	29.0
272.03278	29.0
273.03934	6.5
277.12283	9.5
301.03543	100.0
331.04611	59.0
355.00085	8.2
403.06604	10.5
421.07944	53.8
421.16971	91.1
422.17551	14.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.1718
Annotation	Unknow
Peak:m/z	Relative Intensity
52.05559	1.9
57.03317	4.3
59.01252	69.2
60.33522	1.9
69.51453	7.1
69.51862	5.1
71.01250	36.5
71.04913	2.5
72.99168	3.9
73.02821	23.9
75.00740	2.9
83.01260	2.7
83.04893	6.4
85.02824	9.0
85.06454	2.1
87.00738	3.8
89.02325	27.2
96.95889	4.1
97.06460	4.5
98.20509	3.1
99.00758	2.9
99.04424	14.7
101.02318	19.2
113.02343	15.3
114.93352	2.4
115.03903	20.4
119.03388	13.6
125.05999	4.0
127.03892	5.4
129.05438	9.6
135.11668	5.7
137.09590	2.1
141.05449	2.9
143.03455	1.9
153.12709	2.1
156.24776	1.9
167.06996	2.4
179.05527	4.8
179.10696	30.7
197.11774	47.5
197.13568	4.1
197.93396	2.2
198.12073	3.9
223.09747	8.4
241.10788	100.0
242.11102	4.8
243.12347	6.0
256.47031	2.2
306.06244	2.2
309.74481	2.4
395.75113	2.3
398.86069	2.2
421.17053	46.5
422.17236	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	421.2084
Annotation	Unknow
Peak:m/z	Relative Intensity
55.81307	1.0
58.49397	0.9
59.01256	100.0
59.93269	1.0
60.01576	1.4
71.01254	5.0
73.02821	1.3
85.02843	1.9
89.02333	3.2
98.20310	6.8
101.02338	6.6
111.22952	1.1
113.02313	2.6
119.03432	1.4
154.30945	1.3
161.04498	3.3
165.01811	1.7
181.04971	14.9
196.07385	12.1
211.09694	21.1
247.74919	1.1
301.16614	2.3
319.17575	13.0
361.18796	9.4
421.24683	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.2361
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01266	6.3
68.90881	3.8
69.04648	3.9
70.21590	10.9
71.00704	3.3
78.95773	51.0
80.96409	5.5
90.94347	3.4
110.98425	57.7
152.99461	28.5
185.02142	100.0
211.36406	3.6
222.37570	3.2
233.84476	3.3
238.88307	3.5
246.81691	3.3
253.21741	29.9
276.93881	3.9
288.23856	3.0
339.19751	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.0936
Annotation	Unknow
Peak:m/z	Relative Intensity
54.55715	0.8
55.01751	3.0
58.46730	0.7
59.01253	15.9
64.35866	0.7
69.03328	100.0
69.82297	3.3
69.82584	0.6
70.03667	2.3
71.01250	2.8
72.99189	2.2
75.00753	1.4
79.01758	1.9
85.02819	1.2
89.02375	0.7
95.01262	2.4
97.02836	19.8
99.00757	24.6
101.02343	0.7
113.02345	1.1
123.00826	1.8
141.01840	5.1
180.56635	0.7
185.00845	37.7
186.01228	1.8
219.10191	1.5
237.07631	2.0
423.09488	2.3
423.17419	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.1791
Annotation	DIHYDROMUNDULETONE
Peak:m/z	Relative Intensity
51.46753	8.2
52.16058	7.4
59.01248	36.2
61.19545	8.6
68.46150	8.8
70.32252	33.1
71.01246	22.4
72.92612	8.1
99.96407	7.1
101.02384	13.0
166.02812	8.2
225.64404	8.6
247.74110	8.0
261.28256	8.9
387.20099	7.5
423.17908	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	423.2517
Annotation	Unknow
Peak:m/z	Relative Intensity
58.26927	0.6
59.01255	0.7
71.52983	1.1
78.95775	15.5
110.98415	11.1
121.05219	0.7
130.86116	0.6
152.99487	5.4
153.09988	0.8
167.01068	10.5
185.02136	3.1
227.79350	0.7
255.23273	100.0
256.23630	9.4
328.05356	0.7
339.19968	1.4
423.25177	17.8
424.25458	2.3
447.51462	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.252
Annotation	Unknow
Peak:m/z	Relative Intensity
58.60660	0.5
63.56870	0.5
70.10011	1.3
70.10410	1.0
78.95785	11.0
110.98443	6.4
127.95646	0.5
145.88477	0.5
152.99471	5.0
167.01093	5.7
183.00969	0.7
185.02217	2.9
255.23285	100.0
256.23630	9.2
339.19925	1.9
423.25128	13.2
424.25406	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.2031
Annotation	Unknow
Peak:m/z	Relative Intensity
55.08981	6.6
59.01256	91.2
70.55125	6.9
71.01252	13.6
73.02818	10.9
75.00755	100.0
93.62944	6.2
101.02361	12.4
113.02364	10.4
134.47595	7.4
161.04517	15.7
166.88736	8.8
168.45831	6.3
249.61938	6.7
365.18219	21.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.2183
Annotation	Unknow
Peak:m/z	Relative Intensity
51.50755	2.2
53.51774	2.5
59.01252	55.7
61.93004	2.5
61.98700	5.8
70.76684	6.4
71.01249	27.3
72.99186	3.7
83.18987	2.4
85.02836	2.7
94.85326	2.5
96.14016	2.4
115.00259	2.8
123.61317	2.4
140.10913	3.3
163.11151	3.6
165.12791	5.4
179.14372	3.7
181.12305	3.2
223.13318	2.6
233.18126	2.5
236.18477	2.5
247.20633	8.2
291.19662	60.5
292.19946	7.0
309.20721	100.0
309.24283	4.9
310.21051	14.0
314.01270	2.5
314.18719	3.1
407.20764	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	425.2182
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	3.9
69.26582	7.7
71.01256	38.6
72.99178	11.4
83.04949	1.0
87.00759	1.2
102.18674	1.0
115.00252	15.2
120.92699	0.9
123.12730	0.9
125.09627	2.0
133.01329	1.5
163.11172	1.6
165.12759	5.0
179.14368	1.3
181.12305	1.2
191.14384	1.1
193.16022	1.6
193.30576	1.0
223.13313	2.8
247.20692	5.1
291.19666	49.2
292.20047	6.5
306.46689	1.0
309.20724	100.0
310.21088	11.8
407.20706	6.4
425.21680	3.0
445.56500	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.2181
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03330	0.6
58.83915	0.4
59.01244	1.3
59.45781	0.4
69.77354	0.4
70.91584	0.9
70.91930	0.6
71.01252	26.4
72.01572	0.5
72.99180	8.6
97.06454	0.9
98.20290	0.7
115.00258	13.8
116.00528	0.6
118.74997	0.5
123.08025	0.8
125.09609	3.4
127.11250	0.7
133.01320	7.1
135.08028	0.5
137.09610	0.9
139.11160	0.6
141.09099	0.9
153.09116	1.1
155.10681	0.9
155.14259	0.5
165.09183	0.6
171.10161	2.1
183.13852	0.6
199.09712	3.6
200.10448	3.1
201.11214	3.3
213.11273	0.7
247.20650	2.6
247.22935	0.6
263.20053	0.7
265.21786	1.1
273.18570	0.9
281.21231	0.9
291.16391	0.5
291.19653	8.3
292.19971	0.7
309.20709	100.0
310.21051	11.8
345.20551	0.7
363.21689	1.4
407.20880	2.9
425.21756	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.2181
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01244	3.0
59.88861	0.7
71.01249	25.6
71.18590	1.6
72.77138	0.9
72.99165	5.1
98.19907	0.9
98.20486	1.1
99.00755	1.5
108.02019	0.8
111.08040	1.6
115.00251	4.2
127.11150	1.9
128.40884	0.9
133.01273	2.6
133.54591	0.8
141.09074	0.9
151.11177	1.5
153.12726	4.1
157.21404	0.8
167.10616	1.9
179.14305	1.4
181.12248	3.5
197.11726	3.0
207.13905	1.0
215.12793	1.1
247.20618	3.3
254.67653	0.9
273.18594	2.1
281.21140	1.3
291.19623	21.7
292.20093	3.0
307.19165	1.2
309.20694	100.0
310.21048	13.3
319.22873	1.2
407.20663	2.0
433.41537	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.1245
Annotation	Unknow
Peak:m/z	Relative Intensity
52.79121	2.8
52.79400	3.1
57.03320	4.2
59.01251	31.3
69.64315	17.2
71.01245	9.2
83.60067	3.1
84.47956	3.1
89.38419	3.1
101.02294	5.8
107.35967	3.2
109.03973	2.9
113.02296	4.3
121.02819	11.1
134.03653	5.2
149.02347	49.0
152.01025	6.6
155.08270	3.2
160.01534	3.1
163.03882	7.5
164.04689	37.8
179.07045	16.2
193.01340	25.3
193.04858	7.4
194.78850	3.7
208.03712	46.3
222.07658	3.4
223.06073	100.0
224.06383	6.9
324.62601	3.4
353.53201	3.5
427.12012	5.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.1972
Annotation	Unknow
Peak:m/z	Relative Intensity
54.30676	1.9
59.01249	100.0
60.68594	1.8
61.98696	6.3
69.03339	2.1
71.01256	49.9
71.53702	2.1
73.02815	64.6
80.34689	1.7
83.01254	19.0
85.02831	4.8
89.02322	8.0
99.04404	8.9
101.02316	53.4
111.00709	3.5
113.02336	13.3
114.15696	1.8
131.03371	4.6
143.03406	4.3
149.04507	2.2
161.04480	10.7
161.13272	6.0
162.78204	1.7
183.71469	1.8
205.12279	57.5
206.12599	5.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.1973
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46964	0.3
57.03332	1.9
58.00470	0.9
59.01252	100.0
60.01585	1.1
61.67971	0.3
65.38823	0.3
69.03335	1.4
69.56501	0.3
70.86974	0.7
71.01256	14.9
72.99212	0.6
73.02819	8.2
75.00764	0.3
77.51673	0.3
83.01263	2.5
83.04891	0.4
85.02821	4.9
85.99967	0.5
87.00756	1.7
89.02330	3.1
95.01283	1.2
95.04948	0.4
97.02835	0.6
99.00778	1.2
101.02325	7.8
107.04911	1.0
111.08052	0.7
113.02338	4.6
119.03432	1.1
125.02306	0.6
129.01793	0.4
131.03450	0.4
132.02092	0.4
134.03673	1.1
135.04358	0.4
137.09627	0.7
139.11232	0.5
143.03424	0.5
147.08058	0.5
148.05196	0.3
149.05995	0.4
149.09685	0.3
151.11156	0.5
153.12770	0.4
160.01581	2.0
161.04480	0.9
163.11200	9.8
163.12495	0.5
164.11542	0.7
165.09125	2.0
165.12799	0.7
171.08090	0.5
175.03918	2.2
176.04683	0.5
179.10689	0.5
181.12263	24.5
182.12688	1.3
187.11211	2.7
189.12793	3.6
190.09929	6.1
190.12880	0.4
191.07123	0.7
191.10367	0.7
193.05031	2.3
204.11519	0.6
205.05093	0.4
205.12285	6.3
206.12685	0.7
220.03896	0.3
223.13248	1.5
229.12389	0.9
231.13849	0.5
235.06085	2.1
247.13245	1.5
265.07230	1.0
267.06665	0.4
287.97159	0.3
295.08246	1.4
349.16650	0.8
367.17673	1.0
427.19958	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.2337
Annotation	Unknow
Peak:m/z	Relative Intensity
51.15355	2.4
59.01239	17.5
67.87921	2.7
70.29528	4.8
70.29913	4.5
71.01260	23.4
72.99176	6.7
77.33808	2.3
95.93646	2.4
104.03590	2.2
153.12854	2.8
181.12268	3.7
189.26666	2.5
231.99463	2.3
268.23734	2.9
293.21310	6.3
311.22278	100.0
312.22629	10.5
354.27533	2.9
410.50720	2.9
427.18912	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.2333
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01241	5.0
61.98699	5.7
71.01253	19.5
72.99190	5.6
77.57620	0.9
99.92454	1.0
115.00264	9.1
118.89951	1.6
125.09622	2.4
133.01366	4.7
141.09119	2.4
153.09091	1.1
171.10194	1.7
190.75424	0.9
195.13771	1.0
200.10550	1.6
249.22314	1.7
256.62982	1.1
260.12457	0.9
265.21832	1.3
275.20325	1.1
293.21201	6.7
294.21475	1.2
311.22266	100.0
312.22519	11.3
409.22134	1.9
436.00485	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.2341
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	7.4
61.98693	3.7
69.89448	3.8
69.89817	1.3
71.01258	29.4
72.99189	9.4
90.83092	0.9
98.19885	1.5
111.15609	0.8
115.00266	18.1
115.07500	0.9
121.02845	12.5
133.01321	7.1
167.14328	1.7
177.53030	0.7
183.13794	3.2
195.13817	8.3
213.59444	0.8
243.48570	0.7
249.22279	1.0
273.39499	0.7
290.70929	0.9
293.21201	6.7
311.22290	100.0
312.22626	12.7
313.07104	4.9
339.08661	1.2
347.22348	0.8
365.23297	1.2
394.05389	0.8
409.22144	4.4
427.10388	4.0
427.23404	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	428.1192
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01760	2.5
55.19159	1.8
57.03326	3.1
58.27988	1.9
59.01251	34.9
60.99174	5.9
67.01762	2.3
68.99677	2.6
69.03313	4.4
71.01250	36.2
71.53218	2.1
71.53653	2.4
72.99173	11.0
75.00749	22.8
83.01279	2.5
84.96844	2.2
85.02826	25.5
87.00751	9.2
89.02309	9.4
91.25838	2.1
93.03334	36.0
95.01274	6.8
99.00745	10.8
101.02341	2.8
103.00211	3.3
106.02883	5.0
107.04869	3.3
108.02064	3.0
109.02779	2.1
111.04482	2.0
113.02326	34.1
115.00249	16.4
116.04946	100.0
117.01835	4.5
117.05273	5.0
120.35867	2.6
121.02828	7.5
129.01825	3.5
133.01321	31.4
134.02448	5.1
134.06009	37.8
134.87921	2.0
135.04413	10.0
137.02353	30.5
139.60815	2.6
141.00708	2.5
149.02264	4.3
150.02695	4.8
151.03918	2.8
152.01042	6.3
160.03958	34.0
163.03960	3.1
164.04709	5.8
165.05121	3.0
175.02379	2.9
178.05029	43.4
179.03481	5.1
193.01355	3.5
194.01823	2.0
208.03645	6.4
209.04008	5.1
223.06029	14.6
224.06415	12.9
231.04961	3.3
249.06120	90.6
250.06593	4.2
267.07172	35.4
269.08151	6.4
293.43744	2.4
315.07086	4.8
387.09308	9.4
406.85037	2.5
410.10947	6.7
428.12207	31.7
428.24963	2.4
429.11673	3.2
429.18018	2.8
429.24161	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	429.1249
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93016	1.6
59.01254	3.4
65.05915	1.5
69.75733	3.3
69.76141	5.2
71.01254	3.1
87.00750	100.0
89.02325	1.8
96.95889	3.4
98.19810	2.7
101.02286	1.6
133.01239	1.4
141.30249	1.5
241.00217	1.9
341.10934	3.9
386.75754	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.1404
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03331	12.5
57.50971	1.0
58.03677	0.8
58.18312	1.0
59.01252	48.0
60.01593	1.0
71.01254	15.5
71.53571	1.0
72.99196	1.1
73.02832	4.5
81.03326	1.7
83.01254	3.2
85.02827	11.3
85.06477	8.0
87.00735	1.8
89.02311	5.2
95.01260	4.8
99.00741	2.1
99.04388	9.4
101.02327	11.3
108.02054	87.7
109.02854	43.9
110.03177	1.0
111.00761	1.2
111.04314	1.0
113.02339	4.9
117.33452	0.9
119.03401	1.4
121.02841	1.0
123.00796	2.8
123.04410	23.0
124.04717	1.0
125.02333	4.5
131.07037	26.6
132.07462	0.9
137.05980	1.1
149.06027	6.8
151.03955	1.3
151.07516	2.7
152.01059	73.1
153.01848	27.6
154.02194	1.6
161.04460	4.6
163.03935	1.9
164.08334	30.0
164.09732	1.5
165.01833	1.6
165.09143	7.7
169.08559	1.1
179.05531	1.3
179.06998	3.2
205.12346	1.0
207.10237	2.1
221.09720	1.0
225.03931	1.1
225.14929	3.2
241.97527	1.0
281.26917	1.0
297.06125	5.7
301.50833	1.0
315.07129	1.2
369.15332	1.9
369.19296	2.8
387.20187	3.8
410.75815	1.1
429.13995	100.0
429.20810	3.9
430.14401	12.6
431.57748	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.1768
Annotation	Unknow
Peak:m/z	Relative Intensity
55.30518	0.9
57.03321	2.1
58.00502	1.0
59.01252	100.0
60.01601	1.2
69.59258	2.0
69.59669	4.0
71.01257	20.1
73.02828	10.1
83.01264	3.6
85.02840	6.0
87.00736	1.5
87.34484	0.8
89.02312	9.0
95.01260	1.3
98.01363	1.0
99.00741	2.8
99.04392	2.3
101.02318	15.6
108.02053	5.6
109.02844	6.9
113.02324	8.5
119.03429	2.5
125.02333	1.2
125.09612	1.2
131.07036	2.3
134.03705	1.4
135.07980	2.6
137.06058	1.1
145.79111	0.9
149.05957	8.4
151.07506	2.3
152.01103	5.4
153.01823	4.3
161.04437	4.2
162.41769	1.0
164.04666	1.6
164.08339	44.7
165.09120	11.9
179.07068	4.3
205.12357	1.6
206.12779	1.0
207.10147	1.2
207.13675	1.0
225.14917	4.3
310.57367	1.1
369.15320	2.8
369.19199	8.1
370.19107	1.7
387.20212	14.8
388.20511	2.1
429.13754	10.8
429.21591	4.8
430.14047	1.6
430.21506	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.1767
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03323	1.6
58.00478	2.0
59.01252	100.0
60.01585	2.0
71.01253	42.5
71.30379	1.9
71.30732	1.8
72.99193	3.1
73.02811	3.2
75.31078	1.6
77.46489	1.4
78.82954	1.7
83.01262	3.4
85.02831	7.5
87.00721	2.1
89.02319	44.0
92.75569	1.5
95.01254	3.2
99.04405	5.0
101.02329	24.6
111.59518	1.6
113.02342	17.3
119.03388	20.2
131.81859	1.4
143.03398	4.4
155.82991	1.5
161.04463	5.6
161.13249	13.5
179.05521	5.8
205.12288	32.0
206.12558	3.6
225.23657	1.9
237.98668	1.8
249.11301	37.8
250.11699	3.3
264.54095	1.6
327.14569	2.0
387.20383	2.2
429.17636	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	429.1768
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01765	1.0
57.03326	1.8
58.00468	2.4
59.01256	100.0
60.01592	0.9
71.01258	36.4
71.02637	0.7
72.01577	0.5
72.99189	2.8
73.02813	4.6
81.06977	0.6
83.01266	3.2
83.10354	0.5
85.02829	7.8
87.00755	2.3
87.04398	0.6
89.02325	32.2
89.22563	0.5
90.02615	0.7
95.01263	3.0
95.04912	0.6
97.02838	0.8
97.32721	0.6
98.19969	0.7
99.00788	1.1
99.04391	3.1
101.02332	22.2
107.48226	0.5
111.04458	0.7
113.02341	13.5
119.02565	1.1
119.03403	16.6
125.02351	0.5
131.03378	1.1
135.08060	0.6
137.09659	3.3
143.03432	3.3
149.04495	0.7
151.11172	1.3
153.12779	1.3
161.04477	5.6
161.13293	13.8
162.13554	1.3
165.09105	1.4
169.73082	0.5
176.56602	0.5
179.05562	5.3
180.05847	0.5
187.11275	1.5
188.49631	0.5
189.63501	0.5
205.12306	30.6
206.12645	2.4
207.13847	1.9
225.14914	7.7
249.11325	52.6
250.11623	3.2
264.94855	0.5
267.12314	0.9
267.15958	0.8
272.83826	0.5
285.89487	0.6
351.18307	0.9
369.19272	5.0
385.18561	0.9
387.20270	9.7
429.17462	33.9
430.17941	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	429.1765
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03317	4.6
58.00460	3.4
59.01250	100.0
61.98693	2.9
62.09284	3.1
69.44818	12.2
69.45229	6.2
71.01252	31.7
73.02821	3.9
85.02823	8.3
89.02312	23.3
95.01307	3.3
98.19852	5.3
99.00716	3.6
99.04371	4.0
101.02308	25.3
105.87111	2.7
113.02317	16.4
119.03397	11.3
143.03369	3.6
161.04495	3.7
161.13231	8.1
179.05450	3.3
181.12196	6.1
205.12274	23.3
249.11296	16.8
267.15976	3.5
350.05737	2.9
361.18658	4.6
369.73825	3.2
387.20093	7.0
429.21725	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	429.1767
Annotation	Unknow
Peak:m/z	Relative Intensity
50.28465	0.3
54.65085	0.3
59.01252	100.0
60.01600	1.1
71.01263	2.9
71.52819	0.5
73.02833	0.7
87.00792	0.8
96.34279	0.4
98.89079	0.4
101.02368	0.5
105.03426	0.7
107.24287	0.4
109.02885	0.4
113.02322	0.4
115.00276	0.6
121.02863	0.6
123.04407	0.4
133.01353	1.3
133.02852	4.2
134.03658	0.6
135.02725	3.8
135.04417	8.4
136.04800	0.8
137.02359	0.8
143.03499	0.4
160.01591	0.5
166.02615	0.9
175.03955	0.8
177.01898	1.9
178.02646	1.5
179.01714	3.8
179.03461	8.2
180.03873	0.8
181.05060	0.7
222.36043	0.5
303.42191	0.4
313.07208	0.5
362.90552	0.5
375.97675	0.4
429.13812	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.1765
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39205	1.0
50.73542	1.0
56.92464	0.9
57.03321	1.5
57.50457	0.9
58.88532	0.9
59.01251	92.5
59.81765	0.9
60.01563	1.1
62.98084	0.8
68.88237	0.8
69.49796	4.8
69.50220	1.7
71.01254	19.1
72.99178	1.3
73.02805	4.6
74.13823	0.9
76.36774	0.8
80.11739	0.9
80.16418	1.0
83.01254	2.8
83.04877	0.9
85.02821	6.4
87.00720	2.0
87.04373	1.4
89.02326	5.6
95.04911	2.0
99.00739	2.1
99.04378	1.4
101.02316	8.9
105.03352	3.8
108.02077	1.6
109.02848	3.1
110.95950	1.0
111.00736	1.2
111.04427	1.5
113.02289	4.6
113.05953	3.1
115.00243	10.5
119.03373	1.7
122.03609	2.5
130.08620	1.1
133.01341	12.3
133.02837	20.6
134.03668	7.5
135.04414	55.0
135.08028	2.5
136.01546	3.6
136.04753	3.1
137.02341	1.5
137.05981	3.6
137.09599	1.1
139.03871	1.4
141.09099	1.5
146.15889	1.0
147.08032	1.3
148.05061	1.0
149.05981	27.7
150.06688	2.1
151.03873	2.3
151.07555	11.8
152.04726	1.1
154.02676	1.8
161.04469	3.9
163.11188	2.4
164.04688	3.2
164.08336	100.0
165.09129	39.0
166.06227	1.5
166.09442	1.5
169.08611	2.3
177.01834	11.3
178.02635	5.6
179.01833	1.8
179.03419	30.5
179.07048	13.3
180.03867	1.3
189.09125	1.1
207.10258	1.8
225.07663	2.4
225.14899	3.4
269.08160	1.4
277.06119	0.9
309.13489	1.7
313.03671	1.5
313.07108	5.1
336.43317	1.2
369.15253	3.2
369.19266	3.4
383.17206	1.2
387.20184	4.3
411.84454	1.1
429.21301	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	429.1949
Annotation	Unknow
Peak:m/z	Relative Intensity
57.67615	0.3
59.01246	1.0
70.73714	0.7
70.74058	0.4
71.01233	0.3
99.92460	5.3
100.93241	2.4
111.55490	0.3
115.91962	100.0
116.91972	5.5
116.92758	5.0
117.92742	0.3
120.33703	0.3
132.92239	1.3
142.94267	0.4
155.95070	0.4
171.66846	0.4
172.95380	6.0
184.79573	0.3
218.52272	0.3
255.23349	1.1
267.39514	0.3
272.73108	0.3
355.15768	0.9
371.15475	0.4
381.17578	0.3
429.19574	4.5
430.19852	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.213
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01753	1.5
57.03322	1.4
58.00474	1.2
58.76996	0.3
59.01251	100.0
60.01591	1.0
66.62897	0.3
69.03317	0.3
71.01254	27.8
71.33627	0.4
72.02051	0.3
72.71936	0.3
72.99191	1.4
73.02822	12.1
75.00735	0.5
75.79712	0.3
81.03316	0.4
83.01263	5.0
84.02068	0.4
85.02825	8.5
87.00751	4.2
87.01216	0.5
87.04388	0.8
89.02317	15.3
92.21956	0.4
95.01260	2.4
97.02836	0.6
99.00753	2.1
101.02322	23.9
102.02644	0.6
111.00790	0.4
113.02331	13.5
116.13116	0.3
119.03394	7.2
125.02332	0.7
131.03424	0.8
135.08086	0.5
137.09622	4.8
143.03397	2.4
149.04477	0.8
151.11194	3.9
153.01924	0.4
153.12718	1.7
159.02902	1.3
161.04471	6.2
165.09099	0.4
179.05537	2.9
179.10684	0.6
181.12300	0.4
189.12714	0.4
205.03331	0.4
205.12299	0.5
207.13890	1.2
223.13373	1.0
225.14911	13.5
226.15295	1.0
249.14909	0.4
267.12366	0.6
267.15939	0.6
297.17221	0.5
321.17044	0.7
369.19180	9.1
369.23749	0.5
370.19519	1.5
387.20239	34.3
388.20538	4.3
429.21362	4.4
430.21887	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2129
Annotation	Unknow
Peak:m/z	Relative Intensity
53.40436	0.5
57.03319	2.0
59.01251	100.0
60.01585	1.4
67.83645	0.5
69.03308	0.7
71.01252	17.5
71.53246	0.5
71.53620	0.5
72.99206	0.9
73.02823	6.7
75.00751	0.7
77.11595	0.5
82.08603	0.5
83.01243	3.3
85.02818	4.8
87.00756	2.1
87.04438	1.2
87.75203	0.4
89.02313	7.3
95.01266	1.4
97.02836	0.8
99.00759	1.5
99.04394	0.9
101.02323	11.7
108.02070	1.7
109.02835	0.9
113.02323	7.0
115.00280	0.5
119.03401	2.8
125.02374	0.7
128.03436	0.6
130.84384	0.5
131.03471	0.6
133.01370	0.7
133.02867	1.2
135.04419	3.2
137.09653	1.5
143.03435	1.7
151.11180	0.9
152.01089	1.1
153.12791	1.1
159.02823	0.7
161.04492	3.6
165.09123	1.2
173.92746	0.5
177.01920	0.7
179.03441	2.2
179.05550	1.4
189.12897	1.0
204.11526	0.7
205.12273	0.7
207.13866	0.9
219.13853	0.7
225.14908	6.5
226.15343	0.7
249.14925	1.2
267.16156	1.6
369.19205	4.0
385.48495	0.6
387.20282	7.0
388.20706	0.7
429.13388	0.7
429.21622	1.3
430.22125	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2129
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03336	0.2
58.08721	0.2
59.01250	100.0
60.01587	1.3
69.03342	1.4
71.01253	7.0
71.04862	0.2
71.30715	0.4
72.99195	0.9
73.02830	0.6
83.01266	0.3
85.02837	1.2
87.00769	0.5
89.02319	4.8
95.01246	0.5
95.62303	0.2
97.02849	0.4
99.00751	0.4
99.04382	0.3
101.02338	2.5
113.02333	1.6
115.00259	5.4
119.03384	2.2
121.02865	0.5
126.64050	0.2
131.03387	0.3
133.01315	12.4
134.01637	0.3
143.03395	0.3
161.04533	0.6
167.19229	0.2
179.05577	0.5
185.00914	0.9
205.12279	0.4
249.11293	3.0
250.11546	0.3
267.16248	0.2
269.08347	0.5
313.07220	0.6
387.20337	0.4
429.21570	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2129
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03336	0.2
58.08721	0.2
59.01250	100.0
60.01587	1.3
69.03342	1.4
71.01253	7.0
71.04862	0.2
71.30715	0.4
72.99195	0.9
73.02830	0.6
83.01266	0.3
85.02837	1.2
87.00769	0.5
89.02319	4.8
95.01246	0.5
95.62303	0.2
97.02849	0.4
99.00751	0.4
99.04382	0.3
101.02338	2.5
113.02333	1.6
115.00259	5.4
119.03384	2.2
121.02865	0.5
126.64050	0.2
131.03387	0.3
133.01315	12.4
134.01637	0.3
143.03395	0.3
161.04533	0.6
167.19229	0.2
179.05577	0.5
185.00914	0.9
205.12279	0.4
249.11293	3.0
250.11546	0.3
267.16248	0.2
269.08347	0.5
313.07220	0.6
387.20337	0.4
429.21570	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2857
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	100.0
60.01583	1.3
61.98705	2.5
66.07964	1.1
67.82697	1.1
69.17992	1.2
69.23513	10.6
71.01247	2.8
78.95798	1.5
113.76495	1.2
152.99516	2.9
228.14680	1.2
295.22733	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	429.2854
Annotation	Unknow
Peak:m/z	Relative Intensity
54.85345	3.6
59.01249	100.0
61.98710	5.0
65.00378	2.6
69.79794	15.3
78.95773	13.0
80.46459	2.8
89.02293	3.1
98.19859	3.3
101.36921	2.7
115.84081	2.8
152.99521	17.2
169.08862	2.9
246.60268	2.9
295.22751	6.7
390.50757	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	431.1195
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03325	69.4
58.69560	1.4
59.01252	21.0
69.03332	3.5
71.01260	8.7
71.53098	1.5
72.99167	1.9
73.02818	2.6
75.00734	1.6
85.02850	4.1
89.02342	5.1
92.55104	1.7
97.02836	12.2
99.04397	49.0
101.02324	18.9
113.02331	5.0
125.02335	100.0
126.02686	2.2
131.87769	1.6
136.01572	1.7
138.05510	6.6
153.05516	1.8
161.04456	5.6
227.09171	2.8
432.15271	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.1194
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01720	1.2
56.44857	1.2
57.03313	2.2
59.01247	14.4
69.03298	1.2
71.00901	1.4
71.01257	20.1
71.48213	1.0
71.52226	1.1
72.99165	1.5
73.02827	5.1
81.03276	1.7
83.01241	2.6
85.02824	11.9
87.00735	1.7
89.02321	15.9
95.01240	3.5
99.00751	3.0
99.04380	1.3
101.02326	18.0
108.02050	34.2
109.02842	27.2
110.28342	1.3
112.99751	1.2
113.02311	10.5
119.03357	1.7
123.00705	2.0
125.02330	3.1
133.04979	5.2
134.84813	1.0
143.03397	1.8
152.01053	60.3
153.01846	30.8
154.02126	1.7
159.02919	1.7
161.04475	9.6
163.03880	1.2
165.01750	1.9
184.91391	1.2
252.20645	1.1
269.10236	7.3
270.10657	1.0
297.06128	6.5
315.07147	15.2
315.96320	1.0
316.07382	1.2
387.09259	12.6
431.11774	100.0
432.12125	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	431.1559
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10384	3.5
50.43377	3.4
52.72805	3.9
59.01252	100.0
70.71806	4.0
70.73502	8.9
71.01256	32.2
71.79434	4.0
73.02818	22.1
80.01062	3.1
83.01241	6.3
85.02816	10.2
89.02345	17.6
101.02316	20.4
113.02319	15.9
123.00796	3.7
124.01571	9.2
125.02330	27.9
134.03635	10.7
143.03352	4.9
149.05943	9.1
149.99501	13.9
158.26106	4.0
161.04445	6.9
168.00533	44.3
169.01257	5.5
173.49220	4.1
210.67552	3.6
212.16238	4.8
311.11398	17.2
413.65018	4.1
431.11777	50.9
456.98288	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	431.1557
Annotation	Zizybeoside I
Peak:m/z	Relative Intensity
55.01756	8.8
55.36457	0.9
57.03316	7.5
58.00455	1.9
59.01248	59.8
65.98431	0.9
68.99689	1.0
69.03329	2.1
70.39619	3.0
71.01250	100.0
72.01572	2.2
72.99183	4.3
73.02813	35.9
75.00744	2.1
81.03330	1.7
83.01257	15.6
85.02819	45.3
86.03172	1.3
87.00745	4.3
89.02316	21.1
95.01260	6.6
97.02824	2.9
99.00760	15.0
99.04405	1.6
101.02319	84.9
102.02679	2.1
111.00787	2.5
113.02327	39.7
119.03377	7.7
125.02348	6.3
129.01794	1.7
131.03387	1.3
143.03407	6.8
152.01044	1.3
159.02876	9.3
161.04453	48.1
179.05524	2.7
205.03526	1.1
209.08044	1.9
221.06679	1.7
233.06631	1.0
245.06686	1.3
263.07687	3.1
269.10284	48.7
270.10605	4.1
275.95267	1.2
396.26431	1.0
431.15585	34.6
432.15967	4.4
455.61569	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.1922
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	100.0
61.98685	4.0
70.44147	1.7
71.01267	2.8
71.53499	2.4
73.02819	2.8
83.01292	1.8
101.02320	3.4
116.60530	1.7
142.86169	2.1
144.75485	1.6
167.10689	9.1
235.66005	1.9
242.52838	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	431.1922
Annotation	Unknow
Peak:m/z	Relative Intensity
54.63329	0.6
57.03326	1.3
57.62020	0.6
58.00186	0.6
58.00483	2.0
59.01251	75.4
60.01591	1.5
61.55883	0.7
67.67162	0.7
71.01254	31.9
71.40311	0.9
72.75295	0.7
72.99200	2.6
73.02840	2.3
83.01275	1.5
85.02824	6.1
87.00777	2.0
89.02318	28.5
90.02646	0.8
90.40327	0.7
95.01292	2.4
99.04390	18.2
101.02321	14.2
101.02917	1.0
113.02328	9.9
119.03387	10.4
121.06520	0.9
131.03458	0.9
143.03413	1.8
161.04463	2.1
163.14888	1.1
179.05556	2.8
189.12747	3.9
207.13843	23.3
208.14244	2.0
233.11742	0.9
251.12865	100.0
252.13194	10.0
260.63739	0.7
265.97525	0.7
269.04462	1.4
269.13934	1.3
290.49466	0.7
292.16776	0.6
325.54263	0.7
395.01172	0.6
431.19113	26.2
432.19504	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	431.1922
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01767	0.7
57.22893	0.6
58.00473	2.2
58.97154	0.6
59.01252	45.4
66.51357	0.6
69.53708	3.5
71.01251	22.8
72.99184	1.7
83.01253	1.1
85.02834	4.5
87.00769	0.8
89.02319	22.7
95.01285	1.9
98.20499	1.5
99.04400	20.9
101.02322	10.9
111.04409	0.8
113.02332	7.3
119.03384	9.0
121.06507	1.0
125.07288	0.7
141.98602	0.6
143.03325	0.6
161.04590	0.9
179.05504	1.3
189.12776	4.7
207.13853	25.5
208.14174	2.4
233.11832	1.4
251.12859	100.0
252.13193	8.3
269.13968	1.0
297.72000	0.6
431.19128	37.9
432.19556	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	431.2202
Annotation	Unknow
Peak:m/z	Relative Intensity
54.75264	0.3
57.26479	0.3
59.01240	1.1
62.96270	0.3
70.03017	1.3
78.95776	69.4
96.96833	5.3
128.60664	0.3
150.97910	2.0
152.99489	100.0
153.99785	1.6
171.00569	3.2
210.11229	0.3
234.09993	0.3
277.21677	1.2
357.07956	0.3
379.30695	0.4
431.22031	7.9
432.22528	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.2202
Annotation	PA(18:3(9Z,12Z,15Z)/0:0)
Peak:m/z	Relative Intensity
52.13867	0.3
69.37974	2.2
76.95324	0.3
78.95774	59.8
80.45157	0.3
96.96841	7.4
108.67441	0.3
116.45627	0.3
130.37387	0.3
150.97916	1.7
152.99489	100.0
153.99799	1.7
156.67912	0.3
169.87152	0.3
171.00552	4.4
172.12289	0.3
172.15479	0.3
209.49518	0.3
219.59416	0.3
263.21057	0.3
277.21765	0.8
280.44244	0.3
322.48630	0.3
431.21985	5.9
432.22531	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.2287
Annotation	Radiosumin
Peak:m/z	Relative Intensity
55.01747	0.9
55.98305	0.4
57.03307	1.3
58.00453	0.5
58.47016	0.4
59.01253	39.0
60.01571	0.5
69.03314	0.8
70.68254	1.1
71.01254	17.3
71.01656	1.0
72.01559	0.5
72.99179	1.6
73.02825	3.4
83.01266	3.2
85.02825	7.3
85.99957	0.7
87.00767	3.5
88.98663	1.0
89.02312	2.9
95.01249	1.3
97.02814	1.3
99.00744	1.5
101.02314	7.7
109.99992	0.9
111.00740	0.8
112.01541	0.6
113.02338	3.8
119.03384	0.5
121.02831	0.8
122.87438	0.6
123.00764	0.6
124.01535	1.3
125.02340	2.0
134.03630	1.2
137.99510	0.7
142.02562	0.5
149.02338	3.6
150.03085	1.5
151.03897	0.8
153.00638	0.7
153.01833	9.7
160.84053	0.7
161.02396	2.5
161.04443	0.6
162.03091	2.0
164.04697	3.4
165.05371	0.5
167.58778	0.4
168.04218	5.7
176.04662	1.6
177.05450	1.0
179.03423	4.4
179.04800	0.6
179.05669	0.5
179.06842	2.1
180.07408	0.4
181.15891	1.1
183.06586	0.6
194.05789	4.0
209.08110	5.0
209.15378	1.4
222.05273	0.9
227.16479	20.3
228.16760	1.3
239.16704	0.6
269.04520	1.3
353.19180	0.6
371.20731	17.3
372.21152	1.9
389.21814	46.4
390.22141	5.5
413.22028	0.5
431.14273	9.4
431.22821	100.0
432.13773	1.2
432.23218	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	431.2436
Annotation	Leucosesterlactone
Peak:m/z	Relative Intensity
59.01252	10.0
61.98706	1.9
62.43321	1.0
69.27064	3.9
69.27493	4.9
76.23306	1.0
77.88483	1.1
78.95781	2.7
83.25593	1.0
86.63177	1.1
96.95921	1.0
96.96833	1.1
117.03346	19.7
119.04917	28.4
121.02889	1.7
123.14552	1.0
128.04268	1.2
145.02853	100.0
146.03194	5.3
152.99498	4.6
163.03934	20.6
164.04340	2.0
187.05345	1.1
208.27592	1.1
237.79747	1.0
252.67612	1.3
269.22778	1.1
285.20786	7.5
286.21268	1.3
327.47305	1.2
386.81760	1.1
413.23233	1.2
418.24048	1.1
431.24368	29.9
432.24866	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	431.2437
Annotation	Unknow
Peak:m/z	Relative Intensity
55.99787	0.3
59.01250	7.6
61.90155	0.4
61.98683	0.5
71.53565	0.5
78.95779	0.8
84.90911	0.3
88.55003	0.3
91.67995	0.3
93.03296	0.4
93.92146	0.3
110.55521	0.3
117.03352	16.1
118.03708	0.9
119.04915	26.6
120.05251	0.8
121.02848	1.6
123.04436	0.4
145.02855	100.0
146.03172	4.4
152.99445	1.2
154.02878	0.3
163.03915	20.1
164.04205	1.2
267.19653	1.5
285.20709	8.5
286.21127	0.7
413.23032	0.9
431.24359	26.1
432.24707	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	433.2081
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03313	1.2
58.00459	0.8
58.31999	0.8
59.01252	100.0
59.51612	0.8
69.43927	5.9
71.00890	1.5
71.01255	17.7
73.02823	5.0
75.00754	1.1
83.01270	2.0
85.02826	5.4
86.97425	0.7
87.00716	1.0
88.12421	0.8
89.02322	11.1
89.09365	0.7
94.42390	0.9
95.01257	1.5
98.20059	3.3
99.00760	1.9
101.02325	14.0
113.02328	7.5
119.03387	4.4
120.01134	6.3
120.39028	0.8
143.03447	1.4
146.01682	0.8
147.67952	0.9
149.04428	1.0
155.58012	1.0
159.02893	1.3
161.04483	10.6
179.05530	2.3
181.12837	0.7
182.19376	0.8
225.14983	3.2
241.13445	2.7
241.93231	0.9
252.28130	0.8
254.10435	1.2
269.12912	3.3
285.12360	1.1
313.06250	1.4
313.11957	19.5
361.18607	0.9
373.12952	1.2
387.20233	16.6
388.20697	2.8
433.15256	1.6
433.19800	6.6
434.20706	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.208
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01253	100.0
60.01582	1.1
69.70291	2.5
71.01270	1.0
80.36491	0.5
82.11821	0.5
89.02314	0.7
98.19781	0.5
113.02380	0.5
116.76515	0.5
262.43347	0.6
305.78116	0.5
331.17480	0.8
352.15317	0.5
373.18579	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2079
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	100.0
60.01591	2.0
61.01675	1.0
69.52474	4.3
71.01257	6.8
72.99190	0.8
73.02833	1.4
76.19787	0.7
78.95769	0.6
85.02848	1.6
89.02323	5.4
90.02689	0.9
91.02782	0.7
97.33592	0.6
98.20498	1.1
99.04389	3.2
100.04774	1.8
100.82252	0.6
101.02336	4.7
112.72498	0.5
113.02341	3.1
119.03436	1.7
152.99500	0.8
161.04437	1.2
179.05620	1.1
190.72885	0.6
207.13867	2.5
208.14207	1.1
209.14513	1.6
251.12897	6.7
252.13203	4.4
253.13454	8.6
331.17535	1.5
373.09070	0.8
373.13455	0.9
380.38599	0.7
433.14841	1.1
433.20023	7.2
434.20493	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2076
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	100.0
60.01591	1.5
61.98697	0.8
64.70656	0.7
65.80390	0.7
71.01260	2.4
71.53548	0.9
73.02822	1.0
75.00746	3.7
78.19673	0.8
78.95779	0.9
83.02357	0.9
89.08126	0.8
98.87373	0.8
101.02293	1.3
113.02304	0.9
142.35095	0.8
152.99472	2.0
161.04549	0.8
277.96286	0.9
363.88074	0.9
425.04889	0.8
442.08752	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2359
Annotation	LPA(0:0/18:2(9Z,12Z))
Peak:m/z	Relative Intensity
59.01240	0.9
62.96272	0.2
70.40392	0.7
78.95776	65.8
85.88527	0.2
96.96834	5.0
150.97940	1.5
152.99490	100.0
153.99821	1.4
168.09441	0.3
171.00589	3.1
279.23270	1.2
433.23611	10.1
434.23770	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2359
Annotation	1-(9Z,12Z-octadecadienoyl)-glycero-3-phosphate
Peak:m/z	Relative Intensity
57.11001	0.2
57.79939	0.2
62.96284	0.3
69.89876	0.2
70.91727	0.5
71.88026	0.2
78.95778	59.4
81.81324	0.2
84.39808	0.2
87.52704	0.2
96.96846	6.8
104.64477	0.3
125.13600	0.2
150.97935	1.9
152.99493	100.0
153.99883	1.7
154.80591	0.2
171.00562	4.0
211.04120	0.2
279.23260	1.0
294.07639	0.2
433.23630	6.2
434.24084	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.2237
Annotation	Unknow
Peak:m/z	Relative Intensity
52.44315	0.5
58.09254	0.5
59.01251	100.0
59.75399	0.6
60.01586	1.8
69.23524	4.9
71.01242	2.9
73.02820	1.6
75.00754	1.0
85.02824	1.4
87.00745	0.6
89.02340	1.5
89.66061	0.6
96.95913	2.0
98.20576	1.3
101.02356	2.3
113.02293	1.2
155.10727	1.2
271.02579	0.9
272.03140	0.7
273.03049	1.2
300.02704	0.8
301.03250	0.9
302.03235	2.8
333.19211	1.3
349.06009	1.1
401.65384	0.6
435.08401	1.9
435.22620	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.2519
Annotation	1-Oleoyl Lysophosphatidic Acid (sodium salt)
Peak:m/z	Relative Intensity
50.00716	0.2
57.79488	0.2
59.01236	0.2
60.23807	0.2
62.96288	0.3
70.91606	0.6
78.44254	0.2
78.95779	56.4
85.25883	0.2
96.96843	7.0
97.77736	0.3
107.20065	0.2
114.33157	0.3
118.10376	0.2
150.86433	0.2
150.97949	1.7
151.98160	0.3
152.99500	100.0
153.99884	1.7
171.00574	3.9
281.24899	1.3
323.53754	0.3
435.25223	7.3
436.25595	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.1662
Annotation	Unknow
Peak:m/z	Relative Intensity
52.85437	1.4
55.01760	2.6
57.03304	1.7
58.00457	4.1
59.01250	73.3
60.01575	2.6
60.99175	5.6
61.01667	2.7
69.03316	7.3
71.01256	33.3
71.04894	4.7
71.68549	1.2
72.99169	7.0
73.02820	17.6
75.00737	5.7
81.03316	4.8
83.01261	2.4
83.04893	6.5
84.26434	1.4
85.02826	14.1
87.00751	5.0
87.04395	2.5
89.02316	22.4
90.30122	1.3
93.65770	1.2
95.01250	2.0
95.04897	11.1
97.02835	2.3
97.05877	2.1
97.06474	29.7
98.19916	5.5
98.20589	2.9
99.00768	2.9
99.04412	9.5
100.05186	6.6
101.02330	14.9
101.05949	3.7
107.04898	1.6
109.06435	3.3
113.02336	22.5
113.05982	5.2
115.03896	20.5
115.96879	1.2
119.03361	5.8
125.05961	2.5
126.03121	2.6
127.03883	4.3
130.44193	1.3
133.10121	6.7
135.08043	3.8
139.07483	2.8
139.11177	3.8
141.12721	1.8
143.03433	2.9
144.04184	6.3
145.04968	3.6
149.09634	1.7
151.11191	93.0
152.11523	4.5
153.09114	3.5
162.78416	1.3
167.10678	2.5
169.12267	20.5
170.12605	1.8
177.09109	2.9
181.12318	3.3
183.10188	3.2
195.10201	34.3
196.10469	1.9
211.09622	2.3
213.11267	100.0
214.11545	6.3
225.11299	2.8
239.09297	6.2
243.12340	9.8
253.92706	1.4
257.10263	67.6
258.10791	6.3
295.68567	1.3
437.16623	40.6
437.23041	2.5
438.16968	6.0
454.74841	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.0754
Annotation	Unknow
Peak:m/z	Relative Intensity
64.35657	0.6
71.19464	0.9
78.95782	11.1
79.95597	1.3
81.47857	0.6
85.95351	0.5
96.95891	100.0
96.96847	38.7
119.05424	0.6
139.34007	0.6
211.59021	0.6
304.98288	0.6
364.83594	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.2334
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03316	0.4
57.98478	0.4
59.01248	100.0
60.01588	1.3
61.98719	0.5
67.18391	0.4
71.01241	2.1
71.53682	0.7
73.02821	0.6
76.51852	0.5
85.02827	1.1
87.00745	0.4
89.02341	0.7
93.96008	0.4
96.95885	0.4
98.20158	0.5
101.02326	1.5
111.00787	4.2
113.02350	1.0
121.02844	0.5
121.20657	0.5
139.57701	0.4
210.66043	0.5
291.19690	0.5
309.20718	0.6
331.35153	0.5
379.21323	0.8
397.22357	0.6
439.05341	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.1041
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01755	0.3
59.01243	1.3
64.69439	0.3
68.99683	0.8
69.80499	1.7
71.01255	1.3
73.02821	0.5
75.00764	0.3
85.02841	2.2
87.00763	0.4
89.02314	0.7
93.03358	0.5
93.15022	0.3
95.01277	0.8
98.19882	0.5
98.20473	0.6
99.00764	0.9
101.02338	0.4
111.00782	0.6
113.02331	1.8
113.99469	2.9
115.00269	1.3
121.02847	100.0
122.03184	4.5
127.00237	0.7
129.01834	0.6
134.03647	2.5
137.02315	0.6
137.19673	0.4
139.00307	0.9
157.01332	1.3
178.02647	1.3
193.04987	3.5
259.04633	0.4
277.05573	3.6
301.05759	0.5
319.06659	1.1
417.09515	0.4
441.10379	30.9
442.10672	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	441.1043
Annotation	Unknow
Peak:m/z	Relative Intensity
53.28558	5.9
58.49277	6.0
59.01246	14.5
61.98704	27.7
63.92751	5.7
64.07728	6.6
69.97272	19.2
74.82523	5.9
91.54012	7.4
93.54843	5.7
98.19910	7.1
108.02056	9.5
109.02905	6.8
121.02859	10.2
131.08173	7.0
134.03621	44.5
137.02373	7.7
149.06024	16.3
152.01083	7.8
178.02658	41.3
193.05020	100.0
194.05392	7.0
194.89243	6.3
199.79608	6.1
397.11362	10.3
423.15500	8.7
441.28137	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	441.2129
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	100.0
59.05419	1.6
69.38868	1.5
71.01250	37.3
71.01617	3.0
71.16470	1.8
71.53226	1.6
72.99177	2.5
73.02823	28.9
77.12627	1.8
83.01254	12.0
85.02840	4.4
89.02325	10.5
94.28957	1.9
101.02324	27.7
113.02351	8.8
119.03387	4.9
131.03389	2.3
143.03400	2.7
161.04469	6.3
166.83658	1.8
175.14836	8.3
219.13907	3.1
245.17546	8.0
294.42157	2.0
441.15741	2.9
441.21295	30.2
442.21558	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	441.2494
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	100.0
61.98700	12.1
64.97159	0.9
69.02996	0.9
71.01257	6.1
72.99158	1.1
73.02809	2.5
75.00771	0.9
78.68459	1.0
79.89275	1.0
83.01266	1.7
84.36312	1.1
85.02827	2.8
85.58159	1.1
89.02299	1.1
97.22553	1.1
101.02328	3.6
103.29408	0.9
113.02315	3.0
120.41961	1.1
143.99034	3.5
161.04521	2.5
280.87952	1.1
342.92297	1.3
366.78253	1.1
400.15952	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	441.2492
Annotation	9-Hydroxynerolidol-9-O-beta-D-glucopyranoside-2'-O-acetate
Peak:m/z	Relative Intensity
51.59068	0.5
53.15116	0.4
53.20658	0.4
55.63207	0.4
59.01251	100.0
60.01590	0.9
61.98712	0.6
71.01252	3.7
71.45429	0.7
73.02830	1.3
85.02854	1.3
89.02337	2.2
100.89953	0.5
101.02335	2.7
111.74182	0.4
113.02356	2.1
119.03391	1.0
127.49337	0.5
143.03477	0.6
147.69073	0.5
161.04408	0.6
172.89398	0.5
217.95499	0.4
381.23358	0.6
399.23911	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	442.1568
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03336	17.9
59.01256	63.7
61.98708	100.0
62.99060	3.6
66.20245	3.0
69.18745	3.0
69.45940	3.3
69.63730	14.4
69.64139	7.4
71.01246	24.9
73.02815	6.2
79.56059	3.2
82.38242	3.1
83.01251	3.8
85.02843	12.4
87.00756	5.5
89.02345	17.9
93.03359	4.2
97.18297	3.4
98.20310	11.7
99.04384	19.0
101.02328	21.5
108.02071	13.2
109.02872	8.4
111.00779	10.6
113.02322	10.3
119.03400	7.1
119.04935	24.9
121.02856	10.1
122.27925	3.8
125.02342	13.2
131.09453	3.3
134.03697	4.7
137.02377	14.3
143.03458	3.6
152.01062	13.6
153.01819	9.9
193.04980	6.3
199.37756	3.5
235.11870	4.1
303.99527	3.6
366.67050	4.6
443.11746	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	443.1924
Annotation	Ixerisoside I
Peak:m/z	Relative Intensity
55.01760	2.1
55.27269	1.2
57.03315	2.5
58.00457	4.0
58.95695	1.0
59.01250	100.0
60.01564	2.6
60.33643	1.0
62.27610	1.1
69.03326	1.3
69.45664	8.3
71.01254	80.2
72.01588	1.4
72.99176	4.9
73.02818	17.4
73.42840	1.1
75.00732	1.3
83.01263	5.4
85.02338	1.8
85.02818	14.6
85.94234	1.0
87.00742	4.1
89.02316	98.9
90.02680	1.9
95.01253	3.7
97.02824	3.2
99.00749	20.7
101.02321	46.1
102.02669	1.4
111.00715	1.2
113.02326	26.3
115.03882	1.6
119.03386	30.1
125.02322	5.1
130.08623	1.1
131.03394	14.0
143.03412	6.4
149.04462	30.6
159.02768	1.1
161.04431	8.7
179.04379	1.1
179.05569	12.1
191.05554	8.5
233.06673	2.7
240.10355	1.7
297.19540	1.1
311.14987	6.0
323.28293	1.1
443.19125	40.2
444.19272	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	443.2284
Annotation	Unknow
Peak:m/z	Relative Intensity
52.52467	0.4
55.01736	0.8
57.03312	2.7
59.01248	8.3
60.01559	0.6
60.83289	0.5
61.98698	5.9
63.49915	0.4
63.95498	0.5
69.03325	2.8
71.01254	29.2
71.33566	0.8
72.01578	0.6
72.99178	8.8
73.02808	1.4
75.00784	0.5
83.01249	0.6
84.02056	0.7
85.02335	0.5
85.02823	13.3
89.02319	0.9
91.67521	0.5
93.84338	0.5
97.02826	2.6
97.06493	0.6
98.56496	0.4
101.02341	1.5
113.02356	0.7
115.00269	8.7
119.08512	0.6
125.09645	0.7
125.89642	0.5
127.11167	1.2
133.01308	1.9
137.09608	3.8
143.99051	1.0
144.74229	0.5
156.27582	0.5
171.10178	36.6
172.10526	2.5
179.10735	0.6
181.20898	0.5
185.11597	0.5
201.11313	1.3
211.13370	2.5
221.15446	0.8
229.14354	1.6
239.12747	0.8
291.19678	2.2
327.21747	100.0
328.22104	11.2
337.65237	0.5
401.16296	0.8
425.21933	3.1
426.21930	0.7
426.89648	0.6
443.22797	4.6
444.23108	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.2649
Annotation	Unknow
Peak:m/z	Relative Intensity
50.37851	2.4
54.43158	2.1
59.01252	100.0
61.98709	6.3
63.65026	2.4
68.77612	2.2
71.52550	3.8
77.82863	2.1
84.63192	2.4
91.72405	2.1
97.64516	2.1
146.37360	2.3
179.49348	2.2
192.07082	2.6
196.93892	2.4
216.18968	2.1
232.64644	2.5
266.17609	2.3
277.00049	2.2
291.19604	23.8
309.20752	30.7
310.21072	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	445.1355
Annotation	6-O-Benzoylsucrose
Peak:m/z	Relative Intensity
52.53140	0.8
57.03326	3.7
59.01257	19.9
69.03313	1.1
71.01262	15.9
71.10506	1.1
71.10851	1.4
71.74133	0.9
72.99199	1.7
73.02828	1.8
83.01274	1.6
84.47494	0.9
85.02863	2.1
87.00773	1.6
89.02325	19.2
89.22147	0.9
95.01286	1.3
97.02834	1.1
98.20368	1.1
99.04411	2.5
101.02328	14.9
105.87618	0.9
111.00807	1.0
113.02355	5.3
119.03419	9.5
119.04903	1.2
121.02856	100.0
122.03147	4.6
123.00801	2.2
124.01585	2.7
125.02368	8.1
131.03380	1.8
133.75514	1.2
135.04443	1.8
138.03117	1.5
139.03897	5.3
143.03430	3.9
147.04469	1.8
149.04407	1.1
161.04497	3.5
163.03951	1.5
175.03926	2.5
179.05568	8.8
193.05020	1.9
208.71512	1.1
221.06697	3.9
263.07736	1.4
309.08252	2.0
323.09903	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	445.1352
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	95.6
61.72760	5.7
61.98697	6.1
70.54937	18.2
71.01254	44.0
72.99166	8.1
73.02840	9.1
78.96419	5.5
85.02835	17.2
87.00743	11.0
89.02319	72.6
95.01276	8.5
96.95892	29.4
97.02838	7.2
101.02325	58.1
113.02332	25.4
119.03367	31.5
121.02847	100.0
125.02318	19.6
131.03348	7.5
133.04825	7.3
143.03426	8.1
150.64299	6.0
161.04475	7.4
166.08566	6.1
175.03947	7.7
179.05522	35.4
193.04936	7.3
200.51779	5.7
221.06584	6.7
238.23340	6.3
309.08240	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	445.1992
Annotation	Unknow
Peak:m/z	Relative Intensity
54.40956	0.6
59.01251	100.0
60.01587	1.0
60.10248	0.7
61.98701	2.2
68.20418	0.7
69.56849	0.8
69.89050	3.0
71.01261	1.6
78.95786	3.1
89.02290	1.5
101.02383	0.8
124.90224	0.8
148.99992	6.4
166.08315	0.7
183.20554	0.7
205.15936	5.3
286.41959	0.8
291.94824	1.0
300.36002	1.0
355.16809	19.2
356.17209	1.4
385.17804	11.3
386.18262	1.7
445.11731	0.9
445.20078	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	445.2079
Annotation	Unknow
Peak:m/z	Relative Intensity
50.76373	0.9
55.01758	2.7
57.03314	3.3
59.01250	100.0
61.98695	2.9
64.13483	1.0
69.03311	1.8
71.01248	43.6
71.53825	1.9
72.01615	1.3
72.99165	2.0
73.02815	13.7
83.01261	4.9
85.02345	1.7
85.02827	23.0
87.00754	11.6
89.02307	15.8
95.01274	2.3
97.02829	1.8
99.00789	5.1
101.02326	22.9
113.02321	18.4
116.92713	1.3
119.03355	6.7
121.02869	1.3
121.06460	2.4
125.02339	1.6
129.01837	2.0
131.03432	1.4
137.09618	14.1
143.03439	3.8
149.09618	1.2
159.02945	6.2
159.04042	1.0
161.04466	33.7
162.04778	0.9
165.97168	0.9
175.11223	4.7
177.09119	1.4
177.12788	2.8
179.05533	3.5
179.10693	1.4
187.11188	5.7
189.12787	1.2
203.10730	1.5
204.11522	8.0
205.12282	73.8
206.12611	6.0
219.13853	1.2
229.12312	2.8
235.08266	2.4
247.13403	7.5
248.13783	1.1
259.13373	2.9
277.14450	5.8
336.85312	1.0
367.17627	4.9
385.18790	1.7
445.13168	1.0
445.20352	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	445.2079
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	100.0
60.01592	1.1
61.98697	1.1
62.84966	0.4
70.88405	0.8
71.01244	4.2
72.99220	0.6
73.02820	3.5
83.01276	0.9
85.02852	0.9
87.00719	0.4
89.02329	2.7
95.54427	0.3
97.02859	0.3
97.35386	0.3
101.02332	4.2
113.02331	2.2
119.03416	0.7
120.44557	0.3
121.02836	0.7
131.03404	0.5
143.03383	0.6
149.04483	0.6
161.04459	1.3
172.69344	0.4
179.05469	0.4
204.29330	0.4
223.13490	0.5
385.18857	0.8
445.20016	0.7
445.24872	1.5
465.35553	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.208
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00480	1.2
59.01253	100.0
60.01583	2.1
71.01254	21.7
71.40161	1.9
72.99171	1.4
73.02817	3.6
83.01276	1.4
83.04898	3.4
85.02838	4.7
87.00747	2.4
89.02321	24.3
101.02320	13.3
113.02325	10.2
119.03403	9.9
121.02802	1.1
127.35841	1.2
131.03403	1.6
143.03406	2.5
149.04518	2.4
161.02357	1.8
161.04466	5.6
179.03459	1.9
179.05524	15.2
194.05821	1.5
205.12254	1.5
209.08136	4.2
376.15485	1.3
385.18500	3.3
403.19754	3.0
445.20856	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	445.208
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03317	2.3
58.00461	1.6
59.01251	100.0
60.01599	1.2
61.98705	35.4
70.82159	3.1
71.01252	44.2
72.99200	3.9
73.02819	29.8
75.12611	1.3
77.97301	1.4
78.11671	1.1
83.01243	9.9
83.68010	1.4
85.02824	10.3
87.00762	3.5
88.96326	1.2
89.02317	22.5
93.08528	1.2
95.01273	1.5
99.00771	1.8
101.02322	43.7
113.02331	18.9
119.03382	12.5
121.02834	3.1
125.02362	3.1
131.03389	4.8
137.09602	1.8
143.03383	4.9
147.08118	2.2
149.04465	4.0
151.03937	2.0
151.43816	1.3
159.02879	1.4
161.04471	15.1
161.09648	9.4
162.37120	1.1
163.11192	22.8
175.11169	6.2
179.05528	4.6
179.10660	5.9
187.11209	4.3
205.12274	63.6
206.12563	5.4
221.06607	10.3
221.11784	1.5
340.15335	1.5
385.18723	2.6
401.17993	1.9
403.19818	16.8
404.20184	2.3
445.20853	15.4
446.21216	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	445.2079
Annotation	Unknow
Peak:m/z	Relative Intensity
53.79998	0.7
55.01744	1.5
56.42894	0.9
57.03320	1.2
58.00460	1.0
59.01250	100.0
59.34241	0.9
60.01584	2.0
61.98695	1.2
71.01253	43.1
72.01601	1.2
72.99171	2.3
73.02817	10.4
75.00722	1.2
78.41019	0.8
79.94633	0.8
83.01249	3.3
85.02825	9.0
87.00735	5.3
89.02317	28.9
89.36317	0.8
95.01245	3.0
97.02824	2.4
99.00762	2.4
101.02323	26.6
101.85986	0.8
108.05701	1.2
113.02332	19.3
113.05950	1.5
119.03399	10.8
121.02845	16.2
125.02327	1.2
131.03351	2.3
135.04399	1.4
138.06792	5.1
139.07506	2.8
143.03374	3.3
149.04523	1.1
151.07556	5.7
152.08337	9.3
153.09119	27.4
154.09453	1.7
159.02917	2.5
161.04462	19.1
162.48848	0.9
163.11186	1.1
167.07025	1.0
179.05556	9.8
179.10631	0.9
184.91316	0.8
205.03578	0.8
205.12280	12.7
206.12735	1.7
221.06622	2.8
223.13353	12.5
224.13728	1.4
241.14360	2.5
265.10690	1.3
277.79770	1.0
283.12024	1.1
385.18710	15.6
386.18918	1.6
403.19733	5.0
445.21085	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	445.2359
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	2.3
60.31721	0.5
70.55318	1.5
71.01263	0.5
78.95776	6.8
84.67711	0.5
110.98428	4.7
167.01060	2.5
185.02151	4.1
196.04053	0.5
204.04440	0.5
233.22537	0.5
269.33228	0.5
276.67749	0.4
277.21716	100.0
278.22049	10.8
299.39349	0.5
359.59058	0.6
365.75055	0.5
373.73407	0.5
445.23752	4.1
446.24377	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.2357
Annotation	Unknow
Peak:m/z	Relative Intensity
50.18743	0.8
59.01048	0.8
59.01257	8.2
69.58916	5.4
71.01247	2.0
73.02827	1.3
74.73531	1.0
78.95774	19.7
80.81670	0.8
89.02314	0.9
96.66696	0.9
96.95515	0.9
110.98416	14.1
121.02826	1.2
161.04555	0.9
167.01067	15.2
185.02106	4.9
192.36014	0.9
192.73108	0.8
196.99898	0.8
210.76129	1.0
276.50668	0.8
277.21722	100.0
278.22086	12.1
391.51053	1.1
445.23630	15.8
446.23776	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.2808
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	100.0
61.98694	13.6
69.54452	28.1
71.01250	8.9
78.62742	3.3
78.95768	9.5
81.56770	3.9
86.16473	3.7
89.02306	5.5
96.95872	7.1
98.19836	6.7
102.37519	4.1
110.53728	3.5
121.02859	8.8
123.34145	3.8
151.14804	4.0
152.99454	6.3
205.12196	7.2
293.21344	12.5
311.22293	27.5
340.38629	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	447.0933
Annotation	Unknow
Peak:m/z	Relative Intensity
55.41459	0.8
57.03312	0.9
59.01252	48.6
60.01601	1.4
62.66391	0.8
71.01253	14.9
71.52650	1.1
72.99158	1.2
73.02818	8.0
73.93404	0.7
74.82140	0.7
83.01247	2.8
85.02827	3.8
87.00742	1.9
89.02313	7.4
95.01267	0.9
97.58778	0.7
99.04397	2.4
101.02333	9.3
109.34019	0.8
113.02359	4.4
115.00214	0.9
115.03860	1.2
119.03378	3.5
125.02302	1.7
143.03438	1.3
151.00249	2.4
151.11255	0.8
160.84052	0.8
161.04472	2.8
161.13188	1.9
171.61020	0.8
187.03990	1.3
199.03938	5.0
201.01947	1.7
203.03485	0.8
205.12398	1.0
215.03430	4.0
223.13336	2.6
225.01775	0.8
225.14920	12.1
226.02626	1.0
227.03459	4.8
235.63560	0.8
242.02176	9.0
242.04433	1.2
243.02965	45.1
243.16023	1.2
244.03305	3.9
255.02936	2.3
257.04538	13.6
258.04977	1.1
267.12384	13.8
270.01706	13.1
271.02466	46.0
272.02795	3.1
284.03064	1.7
285.04037	27.3
285.07181	1.6
286.04745	7.8
299.01984	7.4
300.02628	5.4
314.04318	53.2
315.04852	12.0
316.05078	1.4
357.06030	0.9
387.20197	2.5
405.21222	0.9
447.09293	100.0
447.18973	2.7
447.22821	2.3
448.09689	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	447.0933
Annotation	Unknow
Peak:m/z	Relative Intensity
51.73442	0.4
57.03321	0.5
59.00987	0.7
59.01254	8.9
65.00195	0.5
82.80824	0.5
85.02826	0.5
89.02287	0.8
93.03343	0.6
98.19677	0.8
101.02306	1.1
107.01274	1.3
113.02338	0.6
119.03369	0.6
147.84590	0.4
151.00273	3.0
160.03902	1.4
161.04437	0.5
163.00320	0.7
169.01312	0.6
178.99733	0.8
183.04384	1.1
185.06001	0.7
187.03845	0.8
211.03935	2.0
227.03455	70.1
228.03777	5.4
229.04971	1.5
239.03394	0.6
241.05016	0.6
255.02977	95.2
256.03549	14.0
257.04395	1.9
284.03271	82.1
285.03937	27.6
286.04388	1.0
327.05161	1.7
447.09320	100.0
448.09616	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	447.0933
Annotation	Unknow
Peak:m/z	Relative Intensity
51.03661	0.4
52.06593	0.3
59.01253	13.8
64.59147	0.4
65.00183	0.5
70.57043	0.5
70.57423	1.3
72.99197	0.5
73.02822	2.1
83.01265	0.8
85.02799	0.6
89.02332	0.6
96.36145	0.4
101.02303	1.3
107.01266	0.9
107.09331	0.4
113.02305	0.7
114.61610	0.4
119.03367	0.4
125.02316	0.8
135.00824	0.6
143.04942	0.8
151.00272	1.6
153.01807	0.7
158.30676	0.4
161.04411	0.5
163.00340	0.6
178.99805	0.8
181.12292	1.6
182.03548	0.5
183.04456	1.8
183.10243	0.5
185.06075	0.5
187.03947	1.3
199.03970	0.5
211.03941	2.5
218.09546	0.5
225.11279	3.0
227.03452	83.3
228.03809	6.4
229.04999	2.6
239.03522	0.9
255.02977	100.0
256.03482	13.6
257.04480	2.3
266.65454	0.4
269.04422	0.4
283.02261	0.6
284.03265	57.0
285.03983	26.7
286.04407	2.0
287.50223	0.5
327.05106	1.2
336.42548	0.4
356.14743	0.4
387.20236	0.7
393.69095	0.4
447.09314	88.6
448.09671	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	447.1342
Annotation	Unknow
Peak:m/z	Relative Intensity
58.16524	0.2
59.01249	0.6
62.96276	1.3
64.49482	0.2
70.82480	0.6
78.95778	39.8
96.96852	2.6
104.56908	0.2
122.34457	0.2
149.00011	19.8
150.00369	0.7
152.99506	0.3
158.92465	1.9
161.50772	0.2
163.60843	0.2
179.01082	2.7
193.24727	0.3
205.15903	1.7
237.33205	0.2
240.96689	0.3
318.68683	0.3
347.08401	0.6
417.12805	1.1
431.10303	3.3
446.41626	0.2
447.13419	100.0
448.13748	13.1
464.09671	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.1341
Annotation	Unknow
Peak:m/z	Relative Intensity
56.07541	0.4
59.01235	1.5
62.96268	1.4
67.41357	0.5
70.40156	0.4
70.40488	1.2
71.01232	0.5
78.95776	40.6
96.96873	2.5
98.20112	0.8
148.99995	18.5
152.99463	1.2
158.92426	2.0
179.01060	2.4
193.93877	0.4
205.15930	1.2
347.08279	0.7
417.12445	1.1
431.10089	2.9
447.13416	100.0
448.13763	11.2
457.61356	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.1872
Annotation	Unknow
Peak:m/z	Relative Intensity
52.57183	2.8
55.01750	3.9
59.01249	100.0
60.01606	3.2
70.88333	6.5
70.88673	5.6
71.01256	21.5
73.02796	7.3
75.39177	2.9
83.01260	6.9
85.02828	11.1
89.02333	8.9
96.95843	4.0
101.02321	15.8
113.02351	8.3
161.04382	3.8
183.11148	3.2
199.13354	6.0
241.92683	3.0
343.17581	9.6
361.18643	26.9
362.19284	7.0
403.19727	65.8
404.19897	13.4
447.21539	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	447.2002
Annotation	Isoasatone
Peak:m/z	Relative Intensity
50.51930	5.1
51.30556	4.3
59.01251	86.4
61.98692	16.2
62.93044	6.0
71.01256	39.1
71.53183	5.2
71.53670	7.5
72.99174	55.5
78.95784	36.2
89.02319	9.8
96.07509	4.9
96.95893	4.7
97.02830	22.8
99.30042	5.3
101.02291	8.2
109.04263	4.9
114.29525	4.7
115.00258	70.3
133.01294	54.2
136.98438	15.4
145.63310	5.3
152.99515	50.3
154.99545	11.2
203.95694	4.8
222.08698	6.5
261.11032	40.8
262.11841	74.4
294.10913	9.1
313.17899	11.2
331.18906	100.0
332.19229	7.8
387.20169	5.3
408.89551	5.8
428.77710	6.7
429.18784	21.6
447.13422	14.4
447.20038	31.4
448.20584	6.8
464.39420	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	447.2236
Annotation	Sachaloside I
Peak:m/z	Relative Intensity
55.01754	5.5
57.03323	5.4
58.00464	1.8
59.01250	54.3
69.03333	2.2
69.35942	4.9
71.01254	100.0
72.01607	1.3
72.99171	3.4
73.02819	30.9
75.00745	1.4
81.03337	1.1
83.01250	12.7
85.02824	46.5
85.99967	0.8
86.03152	1.4
87.00741	4.0
89.02319	25.5
95.01266	7.1
97.02833	2.9
98.20491	1.3
99.00757	16.8
99.01350	1.3
99.68309	0.8
101.02320	66.9
102.02641	1.6
111.00751	1.0
113.02334	40.7
119.03370	4.4
125.02311	4.7
129.01791	2.3
131.03426	4.0
131.04248	0.8
143.03397	6.6
149.04480	4.4
159.02910	8.9
161.04466	69.6
162.04764	2.0
172.81892	0.7
179.05522	2.0
191.05615	1.3
205.03430	4.5
211.13324	9.8
225.14967	1.0
227.03436	1.2
233.06711	1.4
243.24600	0.8
265.30099	0.7
299.52975	0.7
315.18112	65.5
316.18420	6.7
332.23618	0.9
335.81274	0.9
341.35925	0.6
356.24152	0.8
359.17334	1.4
387.20288	0.9
447.09485	1.4
447.22311	26.8
448.22638	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	447.2235
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03329	0.4
59.01251	100.0
60.01587	1.4
61.98742	0.3
69.28144	3.1
71.01253	9.5
72.99174	0.4
73.02811	3.5
75.00760	0.5
82.12951	0.5
83.01263	0.9
85.02812	2.9
87.00758	0.6
89.02313	5.8
95.01260	0.7
99.00761	0.5
99.04378	0.5
101.02322	6.2
110.00780	0.4
113.02340	4.5
115.00291	0.8
118.01697	0.3
118.71724	0.5
119.03393	3.3
127.18581	0.5
131.03445	0.4
159.02968	0.8
161.04465	4.1
166.77776	0.3
179.05547	1.1
181.12204	0.4
225.14996	0.8
260.69101	0.4
267.12213	0.4
387.20236	7.6
387.24945	0.5
388.20712	0.9
405.21381	0.7
431.18695	0.4
447.22653	5.0
448.23206	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2237
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01748	0.6
57.03340	0.6
59.01250	100.0
60.01603	1.2
61.98702	0.6
65.00201	0.7
69.65552	1.3
69.65967	2.1
71.01254	11.4
72.99166	1.1
73.02817	3.5
75.75008	0.5
83.01254	1.8
85.02805	3.1
87.00768	1.0
89.02319	6.0
95.01247	0.7
98.20338	1.6
99.00778	0.7
101.02325	7.3
113.02332	4.3
119.03421	3.0
121.02910	0.9
139.11189	1.8
143.03412	1.0
151.00275	2.6
159.02856	0.7
161.04471	6.6
162.04778	0.6
163.00308	0.9
178.99738	1.5
179.05486	1.9
181.12274	1.9
183.10194	3.3
225.11235	1.4
225.14864	0.9
227.03456	16.3
228.03867	1.5
229.05045	0.6
243.02933	1.3
243.12363	10.1
244.12720	0.9
245.04541	0.8
255.02971	23.7
256.03543	3.5
271.02454	5.7
272.02759	0.8
284.03268	15.6
285.03934	7.9
285.13391	1.4
286.04453	0.7
300.02734	10.4
301.03516	8.9
302.03641	0.7
387.20239	12.8
388.20630	1.9
396.70694	0.6
405.21078	0.9
447.09323	33.1
447.22058	5.7
448.09583	4.3
448.22714	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2237
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01757	2.7
59.01252	100.0
61.98703	11.0
64.32441	1.4
69.65211	7.1
71.01254	29.5
72.99190	2.6
73.02811	9.9
80.41187	1.3
83.01252	5.2
85.02825	13.0
87.00739	3.8
89.02337	13.0
95.01254	2.7
98.20484	2.4
99.00766	4.5
101.02331	26.9
113.02321	13.2
118.75990	1.5
119.03395	5.2
137.09579	1.7
138.55501	1.5
143.03389	2.8
159.02885	3.7
161.04468	27.8
172.57889	1.9
179.05565	2.7
202.78023	1.9
205.52272	1.8
225.14880	12.6
226.15233	1.6
267.12357	2.4
307.19943	2.0
346.78577	1.9
387.15268	3.4
387.20279	70.1
388.20609	8.0
406.04123	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2235
Annotation	Sachaloside I
Peak:m/z	Relative Intensity
50.65873	0.7
52.24887	0.7
55.01752	7.3
55.51817	0.7
57.03325	3.4
58.00475	1.8
59.01251	100.0
60.01600	1.0
69.03332	3.3
70.87292	0.7
71.01254	100.0
72.01593	2.0
72.99168	3.9
73.02819	36.2
75.00751	2.7
81.49355	0.7
82.94420	0.7
83.01261	12.4
85.02821	41.2
87.00742	3.6
89.01756	1.3
89.02316	28.4
95.01256	5.7
97.02834	4.5
99.00755	19.0
101.02322	58.3
102.02682	1.4
103.51173	0.8
111.00780	1.6
113.02327	33.9
114.02628	1.1
115.03885	2.2
119.03375	3.2
125.02320	6.6
129.01801	1.7
131.03397	4.3
143.03391	6.0
149.04446	6.3
159.02905	9.1
161.04460	55.3
162.04793	1.9
191.05507	2.6
205.03461	2.4
211.13441	1.1
233.06615	4.4
253.60219	0.8
293.08789	1.5
315.18127	39.4
316.18469	2.8
345.19196	4.4
363.98590	0.8
387.20206	2.1
447.22314	93.7
448.22659	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	447.2237
Annotation	Unknow
Peak:m/z	Relative Intensity
54.84150	1.7
55.01756	3.3
57.03316	3.4
59.01252	100.0
61.98699	14.5
69.65572	6.5
71.01256	59.4
72.99183	2.1
73.02818	22.8
78.91714	1.5
83.01244	8.8
83.33299	1.5
85.02821	20.9
87.00755	2.0
89.02316	17.9
95.01284	3.0
99.00753	6.5
101.02320	54.1
113.02334	24.7
119.03388	5.5
125.02277	2.2
143.03423	5.0
154.59428	1.5
159.02876	6.3
161.04459	45.5
179.05499	2.4
206.12633	2.5
225.14903	31.5
226.15514	1.7
238.73111	1.7
387.20245	74.7
388.20673	10.0
447.18359	2.8
452.30664	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2236
Annotation	Unknow
Peak:m/z	Relative Intensity
56.24228	1.4
59.01250	100.0
61.98698	1.1
69.32743	7.1
71.01261	7.2
72.35183	1.2
73.02820	6.2
79.05360	1.1
83.01254	1.7
85.02805	2.0
89.02303	3.6
92.54535	1.3
97.31288	1.1
101.02318	5.6
113.02316	3.6
119.03378	2.4
148.70052	1.3
161.04347	1.4
179.05580	1.5
202.46190	1.2
213.21863	1.2
257.72327	1.4
285.12457	1.4
348.60034	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2518
Annotation	Unknow
Peak:m/z	Relative Intensity
54.35205	0.3
59.01252	1.5
70.64869	0.3
70.74233	0.7
74.95660	0.3
78.95780	6.0
110.98412	4.8
152.99503	0.8
158.76721	0.3
167.01086	2.8
185.02118	3.4
208.97598	1.4
225.00766	1.9
243.01924	0.3
279.23285	100.0
280.23624	12.4
280.26685	0.6
303.65308	0.3
321.19589	0.3
447.25232	5.8
448.25470	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.1827
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03325	0.5
59.01255	12.8
60.01599	0.8
61.98707	100.0
71.01265	3.0
71.24271	0.3
71.24610	0.3
73.02827	1.1
78.90079	0.3
83.01280	0.4
85.02837	0.8
89.02326	2.1
95.01258	0.4
99.04382	0.5
101.02331	1.8
102.98447	0.3
113.02367	1.3
119.03402	0.5
125.02393	1.1
137.09653	0.6
138.09962	0.6
159.37570	0.3
160.29781	0.3
161.04572	0.4
179.05536	0.4
206.12445	0.4
209.11740	0.4
225.14922	0.8
259.06210	0.9
269.04620	0.4
269.13950	3.2
287.05673	0.7
388.20758	0.4
389.21951	0.5
427.71231	0.3
448.22922	0.5
449.10892	1.3
449.19809	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	448.1822
Annotation	Unknow
Peak:m/z	Relative Intensity
55.03984	0.3
59.01254	10.7
60.48279	0.3
61.98703	100.0
69.54693	1.2
70.32092	0.3
71.01263	2.6
73.02829	1.0
85.02827	1.1
87.00773	0.7
89.02309	1.6
98.20622	0.4
101.02326	1.3
102.98483	0.7
113.02332	0.7
118.38789	0.3
119.03393	0.6
119.63477	0.3
137.09644	0.5
138.10004	0.6
161.04604	0.4
173.78586	0.3
192.63223	0.3
206.12666	0.4
225.14983	0.5
259.06244	0.4
269.13989	2.1
277.12073	0.4
283.05048	0.4
368.40088	0.3
388.20557	0.7
389.21735	0.5
441.44846	0.3
449.10999	0.4
449.19705	1.4
451.39157	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.1823
Annotation	Unknow
Peak:m/z	Relative Intensity
57.20226	0.2
59.01250	7.5
60.01589	0.3
61.01685	0.3
61.98703	100.0
68.11196	0.2
69.65736	1.1
71.01255	2.2
72.01566	0.2
72.99185	0.3
73.02829	0.9
74.03156	0.2
83.01276	0.3
84.35197	0.2
85.02850	0.5
87.00749	0.2
89.02295	1.4
98.20230	0.6
101.02312	1.6
102.02679	0.3
113.02345	0.8
119.03420	0.8
120.03709	0.2
137.09639	0.6
138.10017	0.4
139.10254	0.2
147.98738	0.2
148.45798	0.2
152.66345	0.2
161.04503	0.6
179.05569	0.3
184.55959	0.2
206.12605	0.4
225.14987	0.3
226.15431	0.3
258.48514	0.2
388.20569	0.3
448.22913	0.7
449.24078	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.2551
Annotation	Unknow
Peak:m/z	Relative Intensity
57.88365	6.0
59.01244	59.6
61.98707	82.4
71.52869	7.8
78.95766	48.5
90.26243	6.3
96.96846	9.2
99.92430	7.6
102.67188	7.4
116.92744	20.4
123.24866	7.1
152.99483	100.0
168.16718	8.1
333.20367	8.2
357.90811	7.4
412.16440	16.8
449.22925	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	449.1502
Annotation	Suvorexant
Peak:m/z	Relative Intensity
59.01254	13.8
61.98681	1.7
62.96283	25.2
71.08513	2.7
78.95780	64.0
80.97343	32.2
99.00751	3.4
101.02370	1.6
113.70765	1.4
116.92707	1.3
137.72420	1.5
149.00026	14.4
152.99438	2.8
179.01183	1.6
205.16019	8.1
239.89052	1.5
242.98296	4.6
355.16803	17.5
381.05579	1.5
385.17892	21.8
386.18201	1.7
449.15018	100.0
449.21127	4.1
450.15414	10.5
450.20993	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.203
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03312	2.9
59.00961	5.0
59.01254	97.0
61.98683	3.7
64.81785	1.7
69.63878	9.3
71.01248	21.7
85.02815	6.5
89.02303	18.1
95.67202	2.1
99.04414	10.7
101.02328	12.2
113.02309	6.9
119.03395	5.5
165.12714	3.2
207.13841	7.9
209.11775	26.5
225.14848	10.3
229.04312	2.0
251.12915	4.1
266.83130	2.1
269.13937	100.0
270.14340	10.3
287.15213	2.5
444.47833	2.1
449.20184	70.0
450.20432	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	449.2031
Annotation	Unknow
Peak:m/z	Relative Intensity
54.21749	0.5
55.01776	1.0
57.03315	1.5
57.15957	0.5
58.00474	0.9
58.87482	0.6
59.01252	100.0
60.01584	1.2
60.11849	0.5
61.98689	0.5
69.03331	0.8
71.01248	14.8
71.53420	0.7
72.99178	1.2
73.02816	3.8
75.00756	5.1
83.01250	1.5
85.02824	5.0
87.00768	1.0
89.02312	5.9
95.01276	1.2
96.95857	0.7
99.00744	1.3
99.04425	0.5
101.02319	8.9
101.74378	0.5
111.08024	0.9
113.02319	4.7
115.00266	2.9
119.03381	2.1
125.02304	0.9
125.09605	0.6
134.05991	0.8
143.03316	0.9
159.02763	0.7
161.04494	4.8
167.10699	0.6
179.05487	0.7
179.14313	1.2
188.07475	0.5
207.13791	1.0
209.11577	0.9
225.14885	3.5
227.12851	4.8
251.12747	0.6
257.03571	0.8
262.92691	0.5
269.13892	5.4
287.14246	4.0
287.17944	0.6
329.15854	1.7
334.07938	0.5
334.17432	0.8
347.16943	0.8
363.07178	0.6
389.17606	2.4
389.22168	5.4
396.33298	0.5
419.03815	0.5
431.19089	0.6
449.10226	0.9
449.19641	19.8
449.27798	0.9
450.19861	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	449.2393
Annotation	Unknow
Peak:m/z	Relative Intensity
51.52607	1.1
55.01746	2.8
57.03313	2.6
58.00473	1.7
59.01253	100.0
61.98705	16.1
71.01255	39.8
72.99175	3.5
73.02824	12.9
75.00738	2.4
83.01260	4.8
85.02827	16.0
87.00739	2.7
89.02315	25.5
95.01283	3.0
97.50154	1.2
99.00749	4.2
101.02328	30.6
111.00749	3.1
113.02343	14.5
115.03883	1.1
119.03388	12.9
125.02340	1.3
143.03352	3.6
143.04433	1.0
144.52104	1.2
149.04517	1.7
152.40474	1.1
153.09090	3.0
159.02899	3.1
161.04478	12.7
175.02408	2.1
179.05515	9.9
205.03447	1.5
209.15405	2.7
287.22189	4.3
389.21814	15.7
390.22238	2.6
421.84241	1.1
449.27835	31.1
449.91107	1.3
450.28094	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.2393
Annotation	Vanoxerine
Peak:m/z	Relative Intensity
51.95572	0.2
55.01760	0.3
57.03323	0.6
58.00456	0.2
59.01252	100.0
60.01589	1.3
61.98702	2.4
69.44794	0.5
69.45206	1.0
71.01256	7.9
72.99180	0.6
73.02818	3.0
75.00745	0.3
76.18346	0.2
83.01258	1.3
85.02828	4.3
87.00749	0.3
89.02326	0.9
95.01269	0.5
97.02892	0.3
99.00770	1.7
100.95868	0.2
101.02324	7.1
111.00751	0.4
113.02322	3.4
121.02869	0.5
143.03400	0.4
145.92154	0.2
154.04106	0.2
159.02866	0.6
161.04456	2.2
175.38347	0.3
185.15388	0.2
238.31688	0.2
243.10376	0.2
249.82892	0.2
347.16937	0.4
347.20749	4.1
347.24698	0.4
348.21173	0.5
389.21848	1.1
390.22272	0.3
407.22778	1.1
431.22812	0.7
449.23911	68.0
450.24261	9.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.2392
Annotation	Vanoxerine
Peak:m/z	Relative Intensity
55.01752	1.1
57.03321	0.6
57.69612	0.6
59.01251	100.0
60.01593	1.6
61.50348	0.6
61.98712	1.7
71.01254	11.0
72.99186	0.7
73.02809	3.1
73.72656	0.7
75.00753	1.1
83.01270	1.9
84.28311	0.7
85.02824	5.8
87.00762	1.3
89.02320	2.4
98.19984	2.8
99.00756	1.3
101.02325	8.4
102.98475	4.4
111.00741	0.8
113.02328	5.1
121.02892	1.0
141.01845	2.1
153.29596	0.7
159.02968	0.8
161.04480	3.6
177.44098	0.6
186.92050	0.7
199.12999	0.8
243.10388	0.7
283.04904	1.9
303.07138	1.4
347.20691	3.8
389.21817	1.3
405.20322	1.5
407.22623	1.2
449.23849	70.2
450.24191	10.7
460.27103	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.2394
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01764	0.5
57.03326	1.0
58.00460	0.7
58.67646	0.5
59.01251	100.0
60.01593	1.3
61.98726	0.6
71.01254	11.6
71.53467	0.7
72.99189	0.7
73.02823	4.1
75.00747	4.7
83.01282	1.6
85.02824	3.3
87.00771	0.8
88.77472	0.4
89.02315	3.6
95.01329	0.4
96.95883	0.6
99.00759	1.0
101.02322	6.8
111.00802	0.6
113.02335	4.7
115.00249	2.2
116.04936	0.9
119.03409	1.6
121.50197	0.4
125.02396	0.6
125.09686	0.5
126.04382	0.4
127.07510	0.4
143.03400	0.8
159.02853	0.8
161.04468	5.8
177.12247	0.4
179.14362	1.1
188.07202	0.5
192.26904	0.5
205.73827	0.4
207.13857	0.7
225.14915	3.3
227.03513	1.2
227.12856	2.0
228.03877	1.0
229.04063	0.9
238.91057	0.4
251.12871	0.7
255.03133	1.6
256.03418	1.3
257.03598	2.3
269.13940	6.1
284.03363	0.6
285.03754	0.9
286.04028	2.2
287.15164	1.0
329.16202	0.9
331.06302	0.6
347.17062	0.8
363.07370	0.7
389.17850	0.6
389.22003	6.9
390.22385	0.7
449.10275	4.5
449.19489	9.6
450.20761	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.2397
Annotation	Unknow
Peak:m/z	Relative Intensity
50.97390	0.5
52.05805	0.4
53.42204	0.6
57.03329	0.9
58.00456	0.6
58.98107	0.5
59.01253	100.0
60.01591	1.4
61.98703	4.5
69.26962	3.0
69.27377	0.9
71.01254	8.6
72.99174	0.9
73.02812	3.1
83.01283	1.5
85.02828	3.4
85.03281	0.5
87.86044	0.5
89.02329	3.7
95.01272	1.1
98.20513	0.9
99.00772	0.8
101.02324	6.7
113.02316	3.4
119.03410	1.3
125.02302	0.5
126.59745	0.5
128.03549	0.5
149.09709	0.5
161.04462	4.4
179.03482	0.7
185.11800	1.0
200.20740	0.5
207.51591	0.5
329.11530	0.5
347.17532	0.8
359.12427	0.5
389.17917	0.7
389.22043	4.3
390.22031	0.7
405.21591	0.6
449.20035	2.5
449.24716	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	450.1985
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01257	35.3
61.28723	0.8
61.98708	100.0
70.66887	1.2
71.01257	5.4
73.02828	1.7
76.64939	0.7
85.02837	1.0
88.98681	1.7
89.02326	2.5
99.00816	0.7
101.02320	5.4
113.02354	1.9
119.03394	1.4
137.86365	0.6
161.04550	2.0
169.38135	0.6
201.09563	1.2
252.60072	0.7
331.17773	3.0
349.18845	3.0
391.19656	1.6
451.22058	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.2186
Annotation	Unknow
Peak:m/z	Relative Intensity
51.12551	0.6
57.03335	0.7
57.07694	0.6
59.01251	100.0
60.01588	1.2
61.98705	6.7
69.48959	0.6
70.86383	1.1
70.86719	1.1
71.01254	9.9
72.99184	1.1
73.02814	3.5
75.00748	1.2
80.13554	0.7
83.01268	2.1
85.02840	2.7
87.00759	1.5
87.10649	0.8
89.02316	9.3
101.02317	10.0
113.02342	5.1
119.03374	3.4
143.03397	1.3
161.04489	3.7
179.05557	1.8
187.13347	4.8
201.09511	2.7
226.34567	0.7
229.11053	0.7
259.62280	0.9
271.15323	0.8
331.17569	8.0
349.18677	13.8
350.19101	1.5
391.19733	9.0
451.08835	1.4
451.22070	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.2551
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00480	3.0
59.01256	100.0
61.98708	10.0
67.23305	1.9
69.51334	4.9
69.51749	7.2
71.01258	71.1
72.99190	5.5
73.02821	17.7
81.09594	1.7
83.01247	5.8
85.02825	19.3
87.00765	5.3
88.98684	4.0
89.02324	57.9
95.01287	5.3
99.00774	2.8
101.02320	40.1
103.03889	4.3
107.84580	1.9
113.02350	22.8
119.03399	26.4
120.99532	2.7
125.02309	3.8
131.03407	3.7
133.00356	1.8
134.52661	2.6
142.23145	1.9
143.03407	6.0
149.04546	2.5
161.04517	9.2
179.05499	16.0
289.20215	27.6
451.19424	3.2
451.25558	62.9
452.25858	8.2
459.80136	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.3175
Annotation	Unknow
Peak:m/z	Relative Intensity
57.82195	1.1
59.01251	100.0
61.98693	1.1
63.35426	1.3
69.46120	2.8
69.46533	5.0
78.95785	3.0
81.03326	4.3
83.04892	12.0
122.24399	1.2
216.61891	1.1
258.58801	1.1
264.29758	1.3
348.52280	1.2
391.29654	38.4
392.29941	5.8
421.93927	1.3
431.08279	1.4
451.15625	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	451.3176
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	100.0
60.01595	1.2
61.18527	0.8
61.81420	0.8
61.98700	1.3
64.50334	0.9
65.90426	0.7
69.48487	4.3
71.21180	0.7
73.69878	0.7
78.95779	2.4
81.03305	3.8
83.04895	15.3
90.34284	0.8
176.98907	0.8
217.17229	0.9
252.73517	0.9
277.21564	0.9
361.57388	1.0
376.92340	1.0
382.83777	0.8
391.29654	40.3
392.29898	5.5
451.15591	1.6
474.01718	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.3289
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02836	0.3
59.01257	0.4
61.98699	0.1
69.03347	0.1
69.52483	0.1
69.52881	0.3
70.02847	0.1
71.01244	0.2
72.04443	0.1
73.02840	0.1
80.04929	0.3
81.03331	8.2
82.03669	0.2
83.04897	24.5
84.04443	0.1
84.05222	0.7
89.02335	0.1
98.19765	0.1
100.07558	0.2
101.02330	0.1
107.06041	0.7
108.04437	0.9
110.06037	0.1
125.02316	0.1
125.07098	3.2
126.05486	0.5
126.07471	0.1
130.07249	0.1
143.08174	1.6
144.08586	0.1
157.13368	0.1
168.00586	0.1
170.93878	0.1
183.14954	0.1
207.14967	3.3
208.13345	0.3
208.15314	0.2
224.17639	4.7
225.16035	13.2
225.17712	0.5
226.16336	0.9
232.50188	0.1
242.18706	1.9
243.19138	0.1
250.15648	0.3
266.18674	0.1
268.16617	0.4
290.22388	0.3
291.20786	0.1
292.20398	0.1
306.21890	0.1
307.23892	0.2
308.23923	0.1
309.21719	0.5
310.22067	0.1
322.25009	0.1
324.26523	1.9
325.26901	0.3
333.22940	4.5
334.23489	0.6
339.27643	0.4
341.29337	0.2
350.24609	0.1
351.24045	1.3
352.24460	0.1
367.27084	1.2
368.27042	0.1
383.30234	0.1
385.28152	0.5
406.30890	0.2
433.31815	5.9
434.32199	0.8
449.65921	0.1
451.32874	100.0
452.33191	16.4
479.90384	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	452.2784
Annotation	LysoPE(0:0/16:0)
Peak:m/z	Relative Intensity
59.01247	0.7
61.98687	0.8
70.44867	0.5
70.45182	1.3
78.95775	24.0
95.28783	0.5
97.48964	0.5
102.96622	0.6
114.28210	0.5
121.99995	0.6
140.01097	5.1
147.71988	0.5
152.99507	2.5
171.00507	0.7
196.03738	10.2
214.04811	1.6
255.23267	100.0
256.23596	10.3
374.24704	0.6
452.27814	26.9
453.27924	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	454.2922
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98705	100.0
65.87415	1.0
67.58400	0.9
70.81065	0.9
71.53168	1.4
89.18632	0.9
93.05893	0.9
114.86974	1.0
148.97328	1.1
164.11539	0.9
180.15417	0.9
237.76917	1.0
298.73621	1.0
460.72046	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.1562
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03315	1.5
59.01256	16.9
61.98706	7.9
70.56980	0.7
70.57339	1.0
71.01254	2.8
71.48750	0.5
72.24593	0.4
72.36652	0.4
73.02835	1.3
76.49722	0.5
83.01250	0.5
85.02829	0.9
89.02328	1.3
93.03326	0.5
93.93869	0.4
98.20051	0.7
99.04418	2.1
101.02345	3.5
104.42634	0.4
109.02869	0.6
111.00758	0.7
113.02396	1.1
117.05482	0.7
121.02872	1.4
133.02844	1.7
134.03644	51.3
135.03966	2.7
137.02354	8.5
139.03928	3.2
149.05991	17.0
149.07191	0.7
150.03096	0.9
150.06253	0.7
178.02652	35.7
179.03004	1.9
193.05008	100.0
194.05368	7.2
208.07300	0.4
227.07803	0.6
241.09778	0.5
242.10352	0.5
256.11707	0.6
258.17392	0.4
271.10745	0.4
291.43921	0.4
301.11581	0.5
337.09290	1.3
390.38342	0.5
395.20325	0.6
413.22223	0.8
455.20383	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.1921
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03323	29.4
57.79895	0.4
59.01250	11.8
61.98698	2.0
65.44844	0.4
71.01246	3.1
71.53712	0.5
73.02816	1.1
78.95776	0.5
81.03353	0.4
83.01242	0.9
85.02802	1.5
88.98679	1.2
93.97685	0.4
99.04394	20.6
100.04724	0.7
101.02326	7.7
113.02325	1.1
125.02335	11.1
125.74328	0.5
143.03391	0.7
149.09621	100.0
150.09944	5.8
159.02882	0.5
161.04485	2.4
180.44366	0.4
235.51237	0.4
251.16779	0.4
295.08640	0.6
299.87408	0.5
311.15070	0.8
347.11887	0.4
353.16037	0.5
419.24133	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.1357
Annotation	Unknow
Peak:m/z	Relative Intensity
50.11223	0.3
52.39122	0.3
57.03330	36.6
58.03671	0.7
59.01257	13.0
60.40807	0.3
61.36918	0.3
61.98699	0.3
71.01260	1.8
71.17144	0.2
71.17477	0.4
73.02810	0.7
75.00755	0.6
80.36816	0.3
81.03339	0.6
83.01240	0.4
85.02827	0.8
89.02319	0.7
91.01776	5.6
93.03339	5.7
95.01265	0.4
98.19947	0.3
99.04405	24.6
100.04736	0.7
101.02329	6.8
107.04887	1.4
108.02029	0.4
113.02342	0.6
119.01276	3.2
121.02858	8.3
125.02350	10.6
126.02675	0.8
133.02882	0.5
135.08159	0.3
136.01582	0.7
137.02357	5.2
138.02728	0.4
143.03407	1.1
149.02330	0.5
151.03928	100.0
152.04254	5.0
161.04495	1.3
163.07574	0.4
179.47722	0.4
180.78474	0.3
193.05052	0.3
269.56854	0.3
281.06766	2.3
323.07587	0.4
354.77570	0.4
397.22498	0.4
457.13928	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.1717
Annotation	Unknow
Peak:m/z	Relative Intensity
54.28915	0.8
56.67666	0.7
57.03325	7.7
57.29973	0.9
59.01251	100.0
60.01569	1.8
61.98704	0.9
69.03324	2.5
69.47647	1.7
69.48051	5.4
71.01254	33.5
72.01612	1.0
72.99166	2.0
73.02824	7.5
75.00764	1.2
81.03346	1.7
83.01254	3.2
85.02824	7.7
87.00735	1.9
89.02315	35.9
89.48671	0.8
95.01276	1.4
95.04910	1.2
97.02807	3.3
98.19849	1.1
99.00758	6.7
99.04372	0.9
99.08037	30.2
100.08369	1.0
101.02333	13.6
111.00745	0.9
113.02333	8.2
115.03870	2.2
119.03384	2.5
123.04407	50.7
124.04743	3.1
125.02327	14.2
127.07539	39.3
128.07925	1.0
129.05478	12.0
130.08649	1.6
131.03409	3.9
143.03397	2.0
148.05206	16.5
149.02399	0.8
149.04442	3.9
153.05481	23.9
153.29742	0.8
161.04465	8.5
163.07538	5.4
171.06517	9.8
189.07600	1.3
191.05562	2.8
202.99020	0.8
211.55672	0.8
233.06598	12.1
235.13284	1.0
285.09839	6.1
293.08771	6.8
330.82690	0.9
397.22241	2.4
401.36996	1.0
415.23355	2.7
457.16251	1.5
457.21658	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.2442
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01758	0.5
55.54917	0.4
56.31480	0.3
56.99279	0.3
57.03314	0.8
58.00467	0.4
59.01250	100.0
60.01584	1.2
60.27164	0.3
69.03323	0.6
71.01251	18.1
71.53235	0.4
72.99184	1.5
73.02815	6.8
73.03191	0.5
75.00717	0.3
77.94684	0.3
79.33668	0.4
83.01258	2.4
85.02825	6.4
87.00761	1.0
89.01763	0.4
89.02315	9.1
95.01272	1.1
97.02833	1.0
99.00771	1.2
101.02322	12.0
103.03877	2.6
111.00797	0.4
113.02330	8.8
119.03390	3.2
125.02340	3.1
131.03374	0.6
143.03409	0.9
147.65308	0.3
149.09654	3.9
150.09966	0.4
161.04431	3.1
163.06071	1.3
179.05598	0.9
213.65854	0.4
253.18240	1.0
264.22607	0.4
397.22379	3.6
398.22672	0.6
415.23462	3.7
416.24014	0.4
457.20450	0.7
457.25980	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.2442
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01753	0.5
57.03313	0.5
58.00466	0.4
59.01251	100.0
60.01591	1.1
69.03345	0.3
70.40223	0.6
70.40614	0.4
71.01254	11.4
72.99191	0.9
73.02810	3.2
81.03323	0.3
83.01257	1.8
83.04906	0.3
85.02822	4.2
85.99975	0.3
87.00727	0.6
87.04387	0.4
89.02316	4.4
89.02832	0.3
95.01294	0.7
97.02845	0.5
99.00758	0.7
99.04457	0.3
101.02322	6.7
103.03896	1.0
113.02336	4.3
119.03387	1.4
125.02320	1.4
143.03377	0.6
143.14165	0.2
149.09613	2.3
150.09976	0.2
159.02904	0.4
161.04466	3.3
163.06021	0.6
179.05560	0.3
247.08089	0.3
327.18146	0.4
345.19211	1.4
346.19330	0.3
397.22375	2.1
415.23453	2.2
416.23856	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.2445
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01751	0.4
55.02040	0.2
57.03323	0.9
58.00462	0.7
59.01251	100.0
60.01590	1.6
61.98718	0.3
69.03336	0.5
70.55500	0.3
71.01254	14.7
72.01614	0.4
72.99187	0.9
73.02821	7.9
75.00745	0.3
83.01256	2.6
85.02823	4.0
87.00768	0.8
89.02312	5.1
89.02827	0.3
95.01263	1.2
97.02847	0.3
99.00808	0.6
101.02321	7.7
102.02700	0.4
109.06480	0.2
111.00761	0.3
113.02332	9.9
114.02644	0.3
119.03399	2.0
123.08067	0.4
125.02366	0.6
131.03412	0.5
143.03455	0.7
149.04483	0.5
149.09685	0.3
160.42503	0.2
161.04457	2.5
179.05623	0.6
191.14336	0.2
200.25963	0.2
211.56024	0.2
275.14444	0.2
281.69876	0.2
355.17691	0.4
397.22473	1.7
398.22821	0.3
415.23489	1.8
457.20377	1.3
473.56699	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.2444
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01766	0.5
57.03322	1.3
59.01250	100.0
60.01593	1.4
66.67594	0.2
69.03336	0.5
69.24306	0.3
71.01255	14.0
72.01585	0.3
72.99210	0.5
73.02822	6.8
74.02280	0.3
75.00747	0.3
83.01256	3.0
85.02822	6.1
85.99977	0.3
86.03205	0.3
87.00770	0.8
89.02317	2.4
95.01279	1.1
97.02835	0.5
97.62334	0.3
99.00766	1.8
101.02326	9.9
102.02703	0.3
105.50024	0.3
113.02343	6.4
119.03437	0.8
125.02355	0.7
129.01872	0.4
131.03444	0.3
142.15311	0.3
143.03468	1.2
159.02959	1.1
161.04469	4.0
179.14265	0.3
223.17023	0.5
243.23427	0.3
251.16591	1.1
253.18054	6.8
253.20575	0.3
254.18486	0.6
349.20059	0.4
397.22290	18.8
398.22626	2.5
415.23376	14.9
416.23691	2.3
457.25534	1.5
458.25259	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.2806
Annotation	Unknow
Peak:m/z	Relative Intensity
57.77051	8.2
59.01250	21.5
61.98718	8.8
65.06397	6.8
70.61985	8.4
71.01240	9.6
71.24714	15.5
81.17843	7.9
89.02315	15.1
112.30308	9.0
116.97810	9.3
146.98526	7.5
167.42894	7.0
175.99084	8.3
179.05663	11.2
277.21713	100.0
278.22095	10.9
456.35928	13.6
457.36182	45.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.1507
Annotation	Unknow
Peak:m/z	Relative Intensity
50.76265	2.1
59.01239	5.0
70.60359	4.2
71.01250	3.1
89.02309	3.1
93.03323	5.8
113.02390	2.5
133.13004	2.3
135.04416	100.0
136.04720	3.3
136.40552	2.1
205.13014	2.1
341.51556	2.1
428.56070	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	459.1512
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03295	0.6
59.01252	100.0
60.01599	1.0
71.01252	9.7
73.02812	3.1
73.18129	0.6
76.91106	0.6
83.01267	1.4
85.02829	3.3
89.02324	4.8
91.37013	0.6
96.20182	0.6
99.00762	1.4
99.04387	1.1
101.02325	6.3
113.02319	2.2
119.03395	1.1
120.06287	0.6
121.02843	57.7
122.03181	2.1
123.00761	0.7
131.03442	0.6
138.03111	1.0
142.32469	0.6
143.03423	0.7
149.04491	2.5
153.05467	1.5
161.04434	4.0
177.09152	0.6
179.05659	1.1
195.10402	0.6
233.06615	0.8
234.62932	0.7
297.13660	0.9
327.14362	3.4
339.14734	1.1
357.15637	1.7
399.16684	2.8
459.13522	1.0
459.18726	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	459.1874
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	100.0
60.01579	1.7
61.98679	1.2
66.71781	0.6
71.01259	5.4
72.99171	1.0
73.02826	1.5
76.96496	0.7
85.02826	0.8
89.02328	1.1
99.00765	0.9
101.02340	3.5
111.22469	0.7
113.02348	2.3
121.02863	2.8
139.07562	3.6
152.71265	0.7
161.04518	1.5
197.30875	0.7
241.11855	0.9
254.69934	0.8
265.05811	1.0
289.93207	0.7
339.14639	1.5
357.15585	2.0
399.16345	3.5
459.24939	1.4
466.25348	0.8
468.91974	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.1874
Annotation	Unknow
Peak:m/z	Relative Intensity
52.58152	0.2
53.29388	0.2
54.34602	0.2
55.25402	0.3
57.03316	0.2
59.01252	100.0
60.01577	1.3
65.87176	0.2
69.03339	0.3
69.99265	0.2
71.01260	2.0
72.99189	2.3
73.02815	1.4
75.00750	0.3
80.54200	0.2
85.02834	0.5
87.00745	0.4
89.02328	1.5
92.94695	0.2
96.59119	0.3
99.00794	0.4
101.02322	1.9
113.02330	1.2
119.03406	0.6
121.02850	0.3
128.03493	0.3
139.07622	0.2
143.03455	0.3
161.04488	1.2
167.82237	0.2
177.09253	0.5
179.05533	0.3
233.47978	0.3
339.14365	1.2
348.19995	0.3
357.15460	1.5
399.16559	3.6
400.16916	0.4
459.18851	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.1872
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03317	0.7
58.00444	0.6
59.01250	100.0
60.01582	0.8
70.26615	0.7
70.26942	0.6
70.67509	0.4
71.01252	11.6
73.02818	4.4
75.00755	0.5
81.03346	0.4
83.01259	1.2
85.02821	3.6
87.00758	0.6
89.02324	8.1
95.01286	0.7
97.02855	0.7
98.20139	0.9
99.00765	3.1
101.02322	7.9
113.02323	4.0
115.03902	0.9
119.03406	1.6
121.02843	11.5
122.03208	0.4
125.02361	1.2
131.03419	1.4
140.37694	0.4
149.04463	2.7
159.02835	0.5
161.04485	3.2
179.05511	0.5
191.05589	0.8
192.36226	0.4
195.10165	0.5
203.05566	0.5
233.06575	0.9
293.08734	0.5
327.14557	4.2
339.14432	1.0
357.15466	1.9
399.16479	2.9
459.18646	6.4
460.19406	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.1873
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03329	0.6
58.00478	0.5
59.01252	100.0
60.01599	1.1
71.01255	10.2
73.02822	4.0
83.01258	1.1
85.02824	3.3
87.00745	0.5
89.02316	8.1
94.13132	0.3
95.01231	0.5
95.39902	0.3
97.02833	0.7
98.07681	0.3
99.00764	2.1
101.02321	7.4
113.02339	3.5
115.03951	0.4
119.03386	1.9
121.02847	15.4
122.03152	0.6
125.02336	0.8
125.24635	0.4
131.03416	0.9
139.06265	0.4
143.03429	0.6
149.04469	3.9
155.03424	0.4
159.02992	0.4
161.04468	3.2
179.05553	0.6
184.72191	0.4
191.05606	1.1
195.10216	1.1
233.06677	0.9
293.08804	0.6
298.84503	0.4
327.14539	4.4
328.14978	0.4
339.14648	1.3
352.22598	0.5
357.15588	2.3
377.14630	0.4
399.16516	4.5
400.17035	0.5
459.13177	0.7
459.18762	6.9
460.19147	1.7
480.09552	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2598
Annotation	Unknow
Peak:m/z	Relative Intensity
52.58646	0.8
59.01249	100.0
60.01570	1.1
61.98694	2.1
70.05932	1.5
70.06307	1.8
76.75910	0.9
83.92537	0.9
94.33639	1.0
96.95850	1.1
121.02797	2.6
140.84608	1.1
158.48911	1.0
178.47562	1.0
245.02477	1.0
249.18376	1.2
293.17578	2.8
293.88632	1.0
325.20154	7.5
336.57205	1.0
459.86642	1.1
471.48093	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2605
Annotation	Unknow
Peak:m/z	Relative Intensity
53.46371	0.2
55.01752	0.5
57.03323	0.6
58.00504	0.2
59.01254	100.0
60.01584	1.3
69.32685	1.0
69.33103	0.4
71.01261	7.9
73.02832	1.9
78.26012	0.2
83.01259	0.9
85.02831	3.5
87.00771	0.3
87.04396	0.9
89.02318	1.6
95.01273	1.0
97.02850	0.3
98.20155	0.9
99.00761	1.0
101.02332	3.3
102.09805	0.2
113.02338	6.8
119.03391	0.3
125.02332	0.2
143.03438	0.5
159.02917	0.3
161.04488	2.5
162.04865	0.2
255.19791	0.4
399.23904	5.7
399.28830	0.3
400.24405	0.8
405.88553	0.2
417.25195	1.9
418.25421	0.3
457.53934	0.2
459.22165	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2599
Annotation	Cosmosporaside B
Peak:m/z	Relative Intensity
55.01758	0.7
56.64081	0.2
57.03325	1.0
58.00467	0.3
59.01250	100.0
59.10546	0.2
60.01585	1.1
61.99664	0.1
69.03341	0.4
70.82819	0.4
71.01252	14.2
71.04916	0.3
72.01602	0.3
72.99187	0.6
73.02817	5.0
73.47298	0.2
75.00750	0.2
81.03356	0.2
83.01251	2.1
85.02824	5.5
86.00001	0.2
87.00755	1.2
87.04372	1.2
89.02311	4.0
89.02828	0.3
95.01258	1.2
96.93888	0.2
97.02845	0.4
99.00749	1.6
101.02320	8.4
102.02679	0.2
105.58239	0.1
111.00794	0.9
113.02331	5.7
114.32709	0.1
116.01054	0.2
119.03378	1.6
125.02359	1.2
133.03830	0.2
143.03406	1.1
149.04512	0.2
157.06807	0.2
159.02948	0.7
161.04459	4.3
162.04938	0.2
168.30872	0.2
169.12241	0.2
179.05562	0.6
185.15491	0.2
227.16635	0.3
235.31311	0.1
239.16499	0.4
255.19582	1.1
279.16083	0.2
297.20709	0.4
329.19666	1.1
381.22952	0.7
399.23874	11.2
400.24207	1.5
417.24921	11.1
418.25293	1.4
459.22409	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2601
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01759	0.7
57.03320	0.7
59.01251	100.0
60.01585	1.6
60.03322	0.2
71.01253	10.2
72.99204	0.3
73.02820	4.5
74.11037	0.2
82.65186	0.2
83.01267	1.4
85.02820	4.6
85.03284	0.3
86.41279	0.2
87.00761	0.8
89.02314	4.4
95.01273	1.2
97.02842	0.3
99.00748	1.2
101.02316	5.8
101.02911	0.4
112.43161	0.3
113.02331	6.8
113.83743	0.3
119.03403	0.9
125.02394	0.4
131.03352	0.4
143.03427	0.8
161.04472	2.0
181.12323	0.5
239.16483	0.4
253.18002	0.4
255.19675	2.6
299.18640	0.3
343.21274	0.4
399.23895	11.6
400.24323	1.4
417.25168	6.6
418.25424	1.1
459.21521	4.5
460.22672	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2906
Annotation	Menatetrenone Epoxide
Peak:m/z	Relative Intensity
68.58736	14.1
69.19157	100.0
69.19561	32.0
71.45054	13.7
85.54768	13.2
97.19113	12.7
100.79700	14.0
107.04955	16.7
163.11218	75.1
283.17038	29.2
295.16663	15.9
394.19260	15.9
397.78433	17.4
459.28894	97.5
460.29694	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	461.0731
Annotation	Demethylwedelolactone 3-O-glucoside
Peak:m/z	Relative Intensity
57.03331	1.2
59.01260	22.5
65.00206	0.6
70.82548	1.5
71.01259	5.0
73.02824	1.7
83.01255	0.6
85.02834	1.5
87.00771	1.1
89.02328	3.4
93.03339	4.1
95.01277	0.8
98.20298	0.8
101.02319	2.7
106.04140	2.0
107.04916	2.6
108.02081	0.8
113.02352	2.4
117.78498	0.6
118.28790	0.6
119.03402	1.2
121.02815	0.9
123.04323	0.6
132.05643	0.8
133.02858	0.9
137.02354	9.2
149.06052	3.4
151.00284	2.4
151.03925	1.0
157.04185	0.6
158.03694	0.7
161.02310	1.5
161.04483	1.1
162.42740	0.6
166.02625	2.0
172.01666	0.6
178.99756	0.8
179.05528	0.7
181.05048	2.8
186.03122	1.2
198.03209	0.6
199.03902	1.2
201.01920	0.8
214.02641	3.3
215.03464	0.8
216.00571	0.7
241.01414	19.0
242.02107	5.5
243.02852	2.6
245.00928	10.1
246.01378	0.7
255.03035	0.8
257.11832	100.0
258.12192	5.7
270.01715	20.6
271.02472	14.2
272.02814	1.3
273.00461	0.6
281.17661	3.0
283.02463	1.3
298.01215	7.4
299.01987	21.3
299.07736	2.3
300.02448	1.6
323.07565	1.0
340.72757	0.5
387.14383	2.0
401.16315	1.4
433.07718	2.1
443.22797	0.7
461.07281	29.3
461.23999	8.1
462.07544	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	461.1091
Annotation	Kaempferide 3-galactoside
Peak:m/z	Relative Intensity
50.30025	0.5
57.02429	0.5
59.01252	11.0
65.00240	0.7
71.01237	2.6
73.02830	0.9
85.02803	1.4
89.02318	1.0
92.47874	0.5
93.77813	0.5
99.00699	0.6
101.02318	1.8
107.01225	0.6
113.02296	0.9
117.03337	0.7
151.00273	1.0
167.05087	0.6
183.04384	3.2
185.02271	0.5
211.03912	3.4
227.03462	3.2
241.01265	0.7
255.02966	43.7
256.03333	3.4
271.02344	0.7
281.17563	0.9
283.02475	100.0
284.02997	14.1
298.04813	1.9
299.02182	1.3
299.05569	18.7
299.18692	0.9
300.06039	1.5
401.22012	0.6
446.08545	19.2
447.08823	2.6
461.10907	44.8
461.23798	7.4
462.11234	7.7
462.23901	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.2031
Annotation	Unknow
Peak:m/z	Relative Intensity
51.69563	1.3
56.47940	1.3
56.48220	1.3
57.03332	3.9
59.01252	37.9
70.06623	3.2
71.01254	38.6
73.02826	17.0
83.01263	3.8
85.02825	21.3
85.03283	1.6
87.04389	1.8
89.02307	11.4
95.01270	2.5
97.02839	5.0
99.00768	4.4
101.02316	13.9
109.17451	1.3
113.02327	16.1
113.05984	2.2
119.03404	4.3
123.08068	2.1
136.05223	1.8
138.06743	17.8
139.07542	6.3
143.03400	2.8
149.06044	1.4
151.07530	19.9
152.04688	2.4
152.08331	7.2
153.09123	100.0
154.09447	5.0
159.02931	4.1
161.04477	24.5
165.09114	18.9
179.05493	3.4
179.10696	1.9
203.10648	4.5
205.03436	1.6
206.09375	2.8
221.09575	2.1
221.11786	50.0
222.12086	4.7
239.12857	82.8
240.13263	6.4
249.09866	4.5
272.03323	1.4
401.18109	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	461.2039
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01759	1.0
57.03330	0.8
58.00458	2.0
59.01250	55.0
59.98381	1.3
60.01587	1.7
61.98684	1.2
62.85452	0.6
69.03320	3.6
71.01253	60.6
71.53711	0.7
72.01564	1.5
72.99180	2.7
73.02814	4.8
81.03357	3.1
83.01251	3.0
85.02820	7.6
85.99963	0.6
87.00757	2.5
88.12278	0.6
89.02317	70.7
90.02702	0.7
95.01250	1.2
97.02831	4.7
99.00742	1.6
99.04391	1.7
101.02320	13.3
111.00749	2.5
113.02328	10.3
115.03891	0.6
119.03417	3.6
124.46879	0.6
125.02335	14.1
126.02773	0.6
131.03401	16.2
139.03914	1.3
143.03401	1.7
148.12428	0.6
149.04465	20.7
161.04443	0.7
167.10689	100.0
168.11018	5.2
191.05511	5.0
225.14876	1.0
233.06660	3.8
242.02145	0.7
293.08768	14.2
299.02054	0.9
335.54907	0.6
348.47293	0.6
401.24936	1.3
419.26056	0.9
461.07172	1.4
461.24524	1.3
461.31216	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.203
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01255	97.1
71.01256	65.5
71.08533	7.3
72.07401	5.5
72.99209	8.1
73.02826	26.1
85.02834	26.7
89.02325	71.4
93.03307	7.4
95.01342	8.4
101.02314	46.1
105.90058	6.3
109.36430	5.3
110.12614	5.3
113.02316	30.5
119.03413	43.9
125.02312	8.1
125.06076	5.4
137.02339	11.7
138.06776	12.6
143.03427	12.4
151.07558	15.9
152.08368	6.6
153.09126	99.7
161.04501	36.3
161.50775	5.6
165.09158	19.4
179.05559	22.6
179.10651	6.9
221.11812	69.0
239.12869	100.0
240.13148	6.4
250.04724	6.1
292.32474	5.9
358.48428	6.5
401.18158	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	461.24
Annotation	Unknow
Peak:m/z	Relative Intensity
53.39629	0.5
57.03328	1.2
58.00463	1.5
59.01257	43.0
61.98716	0.6
69.30350	2.7
71.01260	27.0
72.99189	2.8
73.02444	0.9
73.02825	13.5
75.00763	0.8
83.01271	0.7
85.02833	4.6
87.00755	2.1
89.02329	26.9
93.03328	4.4
95.01254	1.6
97.02821	0.9
98.20281	2.4
99.00797	0.6
99.04404	11.9
101.01704	1.0
101.02336	14.0
101.90610	0.6
106.04132	2.0
107.04922	2.2
108.48129	0.5
109.06469	0.7
111.00797	0.6
113.02347	9.6
113.79949	0.5
116.99512	0.6
119.03400	11.3
121.06536	0.8
123.04451	1.1
131.03412	1.2
133.06500	1.0
135.04486	1.1
143.03387	2.2
149.04562	0.6
149.06003	4.6
153.79677	0.5
161.04453	1.5
179.03479	0.6
179.05577	4.7
199.04060	0.7
217.28828	0.5
227.03532	0.8
239.10873	0.8
241.01407	1.0
254.00371	0.6
255.02969	6.5
256.03592	0.8
257.11832	100.0
258.12173	10.7
270.01779	1.3
271.02463	1.0
281.10428	1.6
281.17599	53.9
282.17981	4.9
283.02475	1.8
284.03159	0.7
285.03976	1.0
299.01941	2.0
299.05576	1.6
441.76117	0.7
461.10736	4.5
461.17358	1.3
461.24063	11.8
462.11533	1.0
462.24469	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.0883
Annotation	quercetin-3-O-beta-glucopyranoside
Peak:m/z	Relative Intensity
57.65472	0.7
59.01260	1.6
65.00200	1.1
71.01248	1.6
71.11119	1.1
73.02794	0.7
76.88593	0.7
79.39315	0.6
89.02337	2.1
107.01268	3.5
108.02045	1.9
109.02823	1.2
121.02815	1.6
135.00732	1.2
137.75294	0.6
148.01607	1.4
151.00305	11.6
163.00276	3.1
178.99789	5.4
181.07069	0.7
199.03883	1.0
211.03954	1.6
213.01891	0.9
226.02673	2.3
227.03494	3.6
229.05098	1.3
241.28459	0.7
243.02991	10.0
244.03546	1.2
245.04376	1.4
254.02136	2.6
255.02979	24.5
256.03366	1.8
271.02481	55.4
272.02875	6.6
273.03928	2.0
283.02527	1.6
299.01953	1.2
300.02747	100.0
301.03458	60.2
302.03918	5.5
463.08813	76.6
464.09125	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	463.0885
Annotation	quercetin-3-O-beta-glucopyranoside
Peak:m/z	Relative Intensity
59.01252	8.3
61.98690	0.4
63.02265	2.8
63.19662	0.3
65.00192	6.6
69.22742	2.7
70.70780	0.4
71.01267	3.0
72.99190	0.4
73.02819	0.5
75.24439	0.3
83.01261	5.0
85.02827	0.9
87.00735	0.4
87.97064	0.3
89.02318	2.0
89.03863	0.3
93.03344	1.5
98.19897	1.1
98.20575	0.5
99.00759	0.4
101.02316	2.5
107.01276	13.8
108.01604	0.5
108.99236	0.4
109.02832	0.7
111.53714	0.3
113.02353	0.9
115.07529	1.0
119.03391	0.5
121.02842	11.0
124.01561	0.6
125.02315	0.8
139.03923	0.5
148.01552	0.4
149.02341	1.5
149.04451	0.4
151.00275	53.1
152.00644	2.2
161.02304	0.4
161.04524	0.3
163.00331	0.8
163.03830	0.7
164.01019	0.4
169.01358	4.5
175.03746	0.4
178.99786	24.9
180.00122	1.0
187.03848	0.7
192.00587	0.6
193.01350	1.1
201.05505	0.4
211.03909	0.7
227.03496	0.6
229.05092	1.8
243.03073	0.5
244.03629	0.4
245.04439	1.0
254.52646	0.4
255.02930	0.8
257.04565	0.9
271.02466	1.7
272.03009	0.6
273.04010	2.3
283.12119	0.4
283.18805	0.3
299.02124	0.5
300.02753	3.5
301.03525	100.0
301.20157	1.9
302.03882	9.6
331.17862	0.4
440.28986	0.4
463.08823	29.8
463.25586	13.1
464.09116	4.7
464.25873	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.1116
Annotation	Unknow
Peak:m/z	Relative Intensity
54.40153	0.6
59.01237	2.3
61.98702	1.7
62.96244	1.4
71.01297	0.8
71.53672	0.9
78.95760	7.4
104.06937	0.7
118.83992	0.6
146.96431	1.0
149.00009	32.7
194.98795	100.0
195.99074	2.7
227.20126	2.6
253.09236	0.7
271.02487	1.5
300.02783	1.8
301.03333	1.0
417.52679	0.9
463.11157	58.5
464.11487	6.5
465.76630	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.1723
Annotation	Unknow
Peak:m/z	Relative Intensity
56.56639	2.5
58.00470	20.8
58.34861	2.9
59.01251	32.8
61.98688	13.3
69.38089	10.5
69.38511	11.7
71.01251	17.5
73.02819	4.4
85.02843	7.0
89.02328	12.3
98.20500	5.2
99.00705	2.7
101.02306	7.9
105.06491	2.8
111.82935	3.1
113.02320	5.7
118.06491	3.8
122.06057	4.7
124.07582	3.7
132.04436	3.6
146.06015	19.8
148.07555	10.6
161.04550	9.0
165.04129	5.9
167.05772	6.2
174.05469	5.7
179.05717	3.6
193.03680	6.9
204.06586	14.0
205.07471	3.5
229.13358	3.9
237.06476	7.0
241.09752	3.5
249.06258	4.8
271.14490	12.9
283.10907	18.1
297.12308	3.6
329.15042	20.7
343.12820	8.5
348.57806	3.1
373.14029	100.0
374.14267	9.8
385.14093	6.8
403.14902	10.6
403.19809	6.6
404.14880	4.8
463.16705	20.7
463.22702	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	463.2186
Annotation	Rosiridoside B
Peak:m/z	Relative Intensity
55.01751	2.1
57.03329	2.9
58.00462	4.2
59.01251	88.6
60.63440	1.2
61.98696	3.4
68.06837	1.2
69.03314	1.1
71.01255	83.2
71.53210	1.2
72.01570	1.4
72.99187	4.7
73.02815	12.9
75.00735	5.1
76.28552	1.2
83.01254	7.3
83.96288	1.3
85.02825	21.0
87.00742	4.6
89.02317	100.0
89.99795	1.3
95.01276	3.3
97.02827	1.5
98.20021	1.1
99.00756	8.6
101.02328	49.7
102.02630	1.5
102.85394	1.7
104.19419	1.2
111.00752	1.6
113.02332	28.8
115.03902	1.3
119.03384	28.6
125.02331	5.8
131.03406	26.3
143.03406	8.5
149.04465	55.2
150.04694	1.7
159.02867	1.4
161.04446	12.3
178.45181	1.3
179.05530	13.5
191.05521	12.4
233.06531	1.8
251.07738	1.9
271.46265	1.1
271.98175	1.3
301.16272	1.5
331.17612	12.0
332.17825	1.5
349.28882	1.3
373.13989	4.0
403.19269	1.5
463.08429	1.7
463.21204	23.0
464.22095	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	463.2188
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01747	2.9
57.03318	3.3
58.00454	2.3
59.01250	63.1
61.98705	4.5
67.14468	0.7
69.03326	2.1
69.66747	3.6
71.01254	72.3
72.01591	1.2
72.99174	7.0
73.02820	19.9
75.00746	100.0
76.01082	1.0
78.95775	5.8
81.03309	1.1
83.01257	8.4
85.02825	21.7
87.00758	4.8
89.02315	47.8
95.01266	2.1
97.02835	2.3
99.00755	8.9
101.02322	40.7
102.02627	1.0
102.89874	0.8
108.02077	2.2
111.00729	2.3
113.02331	17.4
115.03912	1.3
119.03378	6.9
120.08081	0.7
122.05989	1.3
125.02356	6.1
126.25845	0.7
129.01855	0.9
131.03394	14.3
143.03413	2.5
146.90070	0.7
148.03981	1.0
149.04465	20.8
151.00214	1.2
159.02890	2.4
161.04468	15.2
162.04747	1.1
164.63158	0.7
165.05438	0.7
173.59982	0.8
178.02623	0.9
179.05531	1.8
191.05547	7.7
193.05080	0.9
212.04556	0.7
223.13281	1.2
233.06606	2.1
241.14294	1.1
251.07635	1.1
271.02432	1.5
293.08835	1.3
300.02652	2.5
301.03436	3.6
301.16434	1.0
316.02023	2.6
331.17624	16.0
332.17920	2.0
361.18668	1.6
373.13934	3.4
374.14429	0.8
403.19885	4.7
462.68121	3.9
463.08615	5.8
463.21774	41.5
464.22256	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	463.2185
Annotation	Rosiridoside B
Peak:m/z	Relative Intensity
55.01745	2.1
57.03306	3.7
58.00454	2.9
59.01248	66.1
69.03317	3.5
69.48457	5.4
71.01250	81.2
72.01565	1.0
72.99169	4.0
73.02818	26.7
74.80492	0.8
75.00729	5.2
79.05375	1.4
81.03336	1.7
83.00787	1.6
83.01250	9.7
85.02820	29.4
87.00742	4.5
89.02312	59.7
92.70868	1.1
93.03323	1.1
95.01256	3.6
97.02834	6.3
97.06464	1.7
98.20676	1.1
99.00752	24.4
101.02322	68.1
102.02682	2.0
107.01271	1.9
111.00760	1.7
113.02323	23.0
114.02644	1.0
115.03891	4.4
119.03369	6.8
121.02850	1.6
125.02345	9.9
129.01759	1.5
131.03400	10.4
141.05435	1.4
143.03371	4.6
149.04462	33.2
151.00246	7.6
159.02869	4.6
161.02409	1.0
161.04457	25.6
178.99756	3.7
179.05539	2.4
191.05544	9.9
198.85663	1.0
205.03563	1.0
221.06572	2.0
233.06604	8.7
243.03015	2.4
251.07654	3.4
254.02188	1.3
255.02910	5.4
259.12216	1.2
271.02454	10.1
272.02637	1.6
273.03961	1.3
283.11819	3.1
293.08746	4.1
300.02731	17.4
301.03476	24.5
302.03806	3.2
331.17606	52.1
332.17914	4.7
445.24527	1.1
463.08804	13.6
463.21817	100.0
464.09131	1.8
464.22079	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	464.177
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	23.9
61.98375	5.6
61.98699	100.0
70.60500	2.4
71.01215	3.0
71.08224	6.4
73.52209	2.6
78.95773	42.4
96.95877	4.6
96.96889	3.0
101.02332	3.0
110.94956	2.9
113.02332	3.7
115.00191	3.6
127.63288	2.7
152.99478	18.2
193.08420	4.0
229.14400	5.2
242.26680	2.9
266.00290	3.1
367.31470	2.9
461.48935	3.3
465.19632	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	465.1036
Annotation	Taxifolin 3-galactoside
Peak:m/z	Relative Intensity
50.15931	1.0
57.03326	10.8
59.01254	22.4
60.01604	1.1
61.98689	3.2
61.99334	1.0
65.00197	2.0
69.03325	1.5
71.01250	14.4
71.53088	1.0
71.53489	1.3
72.01601	1.7
72.99163	1.1
73.02811	3.2
75.00750	1.8
75.27150	0.9
81.03307	1.0
83.01272	6.7
85.02828	4.5
87.00734	1.2
89.02323	13.0
90.02654	1.9
95.01266	3.0
99.00776	3.0
99.77379	1.0
101.02322	10.8
102.98501	1.0
107.01286	2.5
107.04920	0.9
109.02830	3.4
111.00764	2.3
113.02328	3.1
119.03399	2.5
121.02856	1.9
123.00761	2.2
123.04406	3.6
124.01544	6.8
125.02338	100.0
126.02674	3.1
131.03430	2.3
137.02354	1.7
139.00227	1.5
139.03931	1.3
147.04395	1.6
149.02353	4.9
149.04451	4.0
150.03148	3.3
151.00258	12.0
151.03908	5.5
152.01057	13.8
153.01848	7.9
161.04483	3.8
161.05942	1.6
169.01395	1.2
173.06009	1.5
174.03120	2.6
175.03981	6.8
176.01073	1.5
177.01830	4.2
178.99779	8.7
188.04692	2.3
189.05534	5.3
191.03441	2.0
193.05009	3.7
199.03906	2.2
203.07104	1.5
216.04150	1.3
217.05006	11.0
218.05191	1.1
231.06523	2.8
241.04962	1.9
258.05286	1.2
259.06049	12.8
274.04865	2.0
275.05600	11.0
284.03082	1.6
285.04053	29.1
286.04361	2.7
303.05154	12.1
303.13501	2.1
303.21652	1.1
304.05356	1.3
405.21246	1.5
421.11145	2.4
437.10895	25.8
438.11203	2.7
447.09454	8.5
448.18640	1.2
451.64392	1.2
464.22171	3.1
465.10367	91.0
465.20877	2.3
465.27692	2.3
466.10840	11.6
466.19781	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	465.1892
Annotation	Unknow
Peak:m/z	Relative Intensity
50.47582	0.3
55.23062	0.4
59.01255	1.9
61.19811	0.3
61.98698	1.9
66.33267	0.4
67.90154	0.3
70.55635	0.9
73.02821	0.7
78.95774	100.0
96.96837	9.3
98.19976	0.6
99.00744	0.3
101.02293	0.7
134.87370	0.4
136.98730	0.4
150.97906	1.9
152.99484	88.1
153.99797	1.9
171.00542	3.6
186.60341	0.3
202.77167	0.3
233.08076	0.3
267.19666	1.4
279.42114	0.3
293.17633	0.8
311.18689	0.9
345.68176	0.3
416.33224	0.4
447.17661	2.1
465.18961	23.6
466.19196	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.2257
Annotation	Unknow
Peak:m/z	Relative Intensity
50.87960	0.5
51.93053	0.5
53.57955	0.5
59.01234	2.0
59.77127	0.6
61.98697	1.0
69.64833	3.0
71.44314	0.6
78.95776	51.1
90.59766	0.6
96.96836	7.2
144.60005	0.5
150.97925	1.8
152.99492	100.0
153.99808	1.6
161.08582	0.5
171.00543	4.9
235.05676	0.6
258.96152	0.6
308.56854	0.6
312.77975	0.6
334.42075	0.6
465.22498	14.3
466.23013	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.234
Annotation	Unknow
Peak:m/z	Relative Intensity
54.07044	1.1
59.01253	100.0
60.01596	1.4
61.98701	1.4
65.61861	1.1
67.67549	1.3
70.02582	4.7
71.01247	8.0
72.99184	1.3
73.02798	3.4
83.01257	1.7
85.02787	2.9
86.89368	1.0
89.02325	4.3
90.52306	1.2
101.02316	6.7
111.72687	1.3
113.02339	3.7
148.53735	1.1
161.04489	3.4
243.15993	1.4
297.82660	1.4
345.19080	3.8
363.20227	13.8
364.20358	2.3
405.21301	3.5
475.14252	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.2344
Annotation	Unknow
Peak:m/z	Relative Intensity
51.15225	2.9
59.01255	100.0
70.81651	4.3
71.01253	8.2
84.21897	3.3
84.27367	2.8
89.01805	2.7
89.02323	12.1
90.10246	2.6
98.20549	3.2
101.02317	6.0
113.02307	4.4
119.03449	4.7
123.14351	2.8
170.03798	3.4
179.05518	4.9
214.29729	3.3
218.03494	2.9
247.65686	2.8
334.33832	3.4
405.21075	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	467.2283
Annotation	Unknow
Peak:m/z	Relative Intensity
56.31865	2.0
59.01246	5.2
61.98713	2.6
68.80166	2.0
70.79774	4.6
71.01254	7.2
72.99178	14.5
75.00745	7.0
87.00767	3.3
99.00750	7.1
101.59884	2.0
112.98689	9.1
113.99483	2.9
115.00259	4.0
135.02890	12.7
142.99751	15.0
154.13264	1.9
156.00583	3.9
172.52716	2.5
173.00850	8.3
174.01616	100.0
175.02312	5.9
210.45476	2.5
252.28462	2.7
293.21194	12.6
305.21234	12.3
345.20724	4.8
349.20020	10.7
354.02029	2.5
371.18518	7.2
372.18854	2.5
407.21265	2.8
449.21777	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	467.2286
Annotation	Unknow
Peak:m/z	Relative Intensity
54.33577	8.8
59.01255	22.6
60.57587	7.1
61.98711	13.9
71.01241	11.3
72.99199	21.7
75.00762	39.3
78.95793	8.6
94.49599	7.3
112.42022	7.8
112.98717	12.1
117.03774	8.9
135.02911	63.3
137.69865	8.8
142.99719	12.4
144.43994	7.5
155.03949	8.6
158.54164	7.9
165.12741	16.5
173.00861	11.4
174.01613	100.0
175.02359	13.0
203.01181	9.9
220.51329	9.3
277.21619	25.9
293.21127	10.2
305.21356	41.3
331.19193	54.7
345.20880	41.1
346.21136	11.0
349.20090	21.2
371.18597	28.8
375.43137	8.4
401.19873	15.1
413.19733	11.8
431.20782	13.0
449.21930	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	469.2076
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	100.0
60.01588	1.0
61.98711	0.4
69.35077	2.5
71.01231	1.9
73.02797	0.4
85.02831	0.9
89.02319	0.8
89.71982	0.4
101.02332	1.1
108.10085	0.3
113.02347	0.5
119.03412	0.4
136.89465	0.3
154.35170	0.3
250.07719	0.3
353.16083	0.7
469.31955	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.0816
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01243	11.9
69.39891	18.7
69.40295	12.1
71.01257	13.5
75.53363	4.0
78.98441	5.4
79.95607	59.9
80.96397	97.6
85.02838	4.6
87.00764	5.4
93.03345	4.4
94.97973	22.9
99.29823	4.4
101.02287	6.4
106.97976	7.2
108.02103	4.1
109.02829	11.5
111.00723	4.2
134.03650	5.4
134.97472	6.7
135.85817	5.4
137.02293	6.3
148.98979	9.9
152.98552	11.1
153.01840	13.3
164.98544	21.6
193.04967	9.4
206.99774	5.7
225.00708	40.7
299.04492	26.6
317.05463	100.0
318.05911	7.8
411.06049	8.1
421.08292	43.7
422.08423	5.8
437.07520	39.3
453.07196	7.2
454.07828	7.7
471.08124	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	471.1146
Annotation	Unknow
Peak:m/z	Relative Intensity
54.62963	2.0
57.43729	2.1
58.34499	2.1
59.01254	8.5
61.98691	1.7
69.48380	8.3
69.48797	3.5
71.01247	3.8
73.81844	1.7
85.02840	3.1
87.00748	2.1
93.03331	2.0
101.02358	2.6
107.80114	2.0
108.84334	1.9
113.02330	2.2
121.02854	6.5
128.03438	5.1
129.01825	1.8
134.03618	3.4
135.04442	5.5
139.00276	3.0
145.20869	1.9
149.02353	29.6
152.01012	8.8
163.03932	6.4
164.04683	20.0
165.01816	2.9
169.05014	2.9
179.07045	6.6
193.01389	18.7
193.05005	5.4
194.01823	1.9
208.03741	37.9
223.06082	100.0
224.06451	6.4
471.27670	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	471.1509
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01255	8.1
61.98694	0.9
64.59180	0.7
69.65168	4.2
71.01253	4.4
72.99180	1.0
73.02812	0.9
83.01263	1.3
83.02385	1.2
84.01901	0.9
85.02829	1.2
86.02347	1.0
87.00719	1.0
89.02306	6.5
98.20559	0.9
101.02303	1.4
103.32907	0.7
106.04159	0.9
113.02331	1.6
121.02840	2.4
133.02869	1.2
133.04959	7.3
134.03642	47.3
135.03995	2.0
137.02361	9.0
139.03923	2.4
149.02344	1.4
149.06009	14.5
150.03149	1.5
178.02643	30.0
179.02983	2.1
193.05002	100.0
194.05330	7.0
197.05634	0.9
197.14873	0.7
205.12262	1.8
208.03554	1.0
223.06030	2.1
261.79071	0.8
278.05029	0.9
337.09238	3.3
355.10400	4.4
356.10663	0.9
472.11557	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.1872
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01749	1.6
57.03323	65.4
59.01250	21.8
71.01255	10.2
71.53239	1.4
73.02811	3.5
78.96490	1.0
81.03323	1.2
83.01231	2.0
85.02829	7.9
87.04369	1.3
89.02317	1.9
91.05379	1.0
95.01257	1.5
98.72112	0.9
99.04394	59.2
100.04715	1.3
101.02325	18.6
108.02055	2.4
109.02830	4.3
111.04403	3.4
113.02329	5.2
113.05965	2.9
122.03646	6.3
125.02336	29.7
125.09627	2.1
126.02704	1.3
133.06506	2.7
135.08052	37.3
136.01526	2.9
136.08406	2.0
137.05937	2.8
139.03931	1.1
141.09114	2.3
143.03363	1.5
149.05972	5.2
150.06721	1.4
151.07555	12.5
152.01036	2.3
153.01799	1.9
154.02574	1.5
161.04454	9.2
163.07530	1.3
163.11301	1.2
164.08336	33.4
165.09119	100.0
166.09453	6.2
167.07137	1.1
169.08586	1.7
179.07045	14.2
191.10760	2.2
203.05489	1.7
239.25076	1.0
249.22327	1.2
267.16034	1.1
300.32751	1.0
309.13412	11.9
310.13611	2.4
327.14514	7.3
369.15732	4.5
409.18994	1.1
471.14404	5.6
471.22104	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.1874
Annotation	Unknow
Peak:m/z	Relative Intensity
50.70850	7.4
54.84298	7.2
59.01247	100.0
61.98716	11.7
71.01240	38.4
71.53343	6.5
72.09402	7.5
73.02802	23.2
83.01244	11.3
83.04871	7.5
85.02784	10.7
89.02322	15.9
101.02299	18.7
113.02333	19.3
119.03377	7.2
121.30370	6.2
134.03603	8.1
151.94415	7.2
158.69856	6.6
193.04982	31.2
205.12331	7.9
221.48259	6.9
226.06587	6.4
411.20380	10.1
470.76682	7.3
471.13327	9.2
471.19232	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	471.2236
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03322	3.7
58.11649	0.8
59.01249	100.0
60.01582	1.8
60.12990	0.8
61.98696	3.1
68.72287	0.9
71.01254	18.7
71.53393	1.1
72.99187	1.0
73.02814	12.0
79.88312	0.8
83.01250	3.3
85.02833	3.5
87.00802	1.4
89.02324	3.9
95.01270	1.0
99.00784	1.6
99.04433	1.1
101.02322	14.8
113.02328	6.1
119.03345	1.0
120.82829	1.0
129.01826	0.7
130.08665	1.3
135.98251	0.8
149.04454	0.9
161.04424	4.3
205.12218	3.3
205.15930	1.6
207.13843	3.6
225.11307	1.3
249.11285	3.6
249.14912	2.7
304.48798	1.0
330.25739	0.8
339.14444	3.2
429.21066	1.8
471.22580	9.5
472.22873	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.2598
Annotation	Unknow
Peak:m/z	Relative Intensity
53.58920	5.1
59.01253	96.2
61.40185	4.5
61.98696	29.8
71.01250	99.6
71.53755	6.0
72.99200	6.9
73.77518	4.5
75.00735	6.9
85.02809	8.2
86.85661	5.6
89.02314	91.3
89.87466	5.5
101.02330	25.5
101.17984	4.9
113.02312	21.9
119.03366	17.4
161.04501	5.0
165.12723	18.2
179.05490	14.6
198.15468	5.3
247.20595	10.7
291.16690	9.0
291.19653	100.0
292.19916	12.0
471.34906	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	471.2595
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	82.5
61.98691	29.1
67.35868	9.8
71.01261	51.4
71.53716	13.1
81.25200	10.3
89.02316	68.5
98.20045	11.8
101.02322	15.9
102.24003	10.2
119.03387	15.9
121.10123	12.2
168.18759	10.7
291.19589	69.2
313.18076	12.9
408.16821	12.2
471.35083	100.0
472.35114	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	473.1087
Annotation	Apigenin 7-(6''-acetylglucoside)
Peak:m/z	Relative Intensity
59.01250	14.0
65.00188	1.1
68.99688	0.2
71.01258	2.2
72.99193	0.2
73.02818	0.8
79.58419	0.2
83.01253	0.4
85.02817	0.7
87.00721	0.2
89.02303	1.1
89.11230	0.2
89.66978	0.2
95.01274	0.8
96.95896	0.2
96.99169	0.3
97.02866	0.2
98.19856	0.8
98.20562	0.5
99.00813	0.2
101.02322	1.5
109.99980	2.0
111.00724	0.2
112.67743	0.2
113.02328	0.9
119.03408	0.3
123.00766	0.7
131.03278	0.2
134.03688	0.2
136.98703	1.8
139.00272	0.8
139.05423	0.4
141.06992	0.9
143.03409	0.2
143.04909	0.4
145.02873	0.2
145.06400	0.2
147.08069	0.3
149.04510	0.2
149.05933	0.2
151.05492	0.2
157.06477	0.4
161.04446	0.6
163.00253	0.7
164.98247	0.2
165.98984	2.2
166.99706	0.7
167.04921	0.9
169.06494	2.6
171.04442	1.2
171.07971	0.4
178.02562	0.3
179.05295	0.2
181.06528	0.4
184.05206	1.0
185.06056	0.3
192.00681	0.2
193.05022	0.4
195.04436	1.8
196.05153	0.5
197.06007	2.8
199.03897	0.4
211.03906	1.0
212.04597	0.3
213.05464	1.0
223.03944	3.6
224.04669	0.6
225.05499	1.0
239.03433	1.7
240.04137	0.5
241.05011	2.8
251.03459	2.3
252.03758	0.2
265.04974	0.3
267.03030	1.6
268.00751	0.3
268.03751	17.4
269.04535	100.0
270.04889	8.9
270.07077	0.2
311.05429	0.3
413.08765	1.4
413.21906	0.9
413.27466	0.2
418.88470	0.2
431.10013	0.6
431.22900	0.4
473.10870	29.5
474.11139	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.1089
Annotation	Apigenin 7-(6''-acetylglucoside)
Peak:m/z	Relative Intensity
54.89924	0.2
59.01252	8.4
65.00198	1.0
69.01286	0.2
69.33208	1.5
69.33616	0.4
71.01249	0.9
73.02832	0.2
79.19147	0.3
85.02831	0.3
95.01278	0.5
98.20634	0.3
101.02322	0.6
104.80070	0.2
109.99978	1.4
117.05482	0.3
118.14012	0.2
121.02842	6.3
122.03168	0.2
123.00751	0.4
128.39677	0.2
134.00021	0.3
136.98709	1.7
137.99513	0.4
139.00302	0.8
139.05388	0.5
141.07004	1.1
143.04893	0.4
148.98474	0.3
151.05432	0.4
153.08992	0.3
157.06467	0.4
163.00270	0.8
165.98990	2.0
166.99715	0.5
167.04993	0.9
169.06517	2.4
171.04446	0.9
171.08006	0.4
173.05850	0.2
181.06490	0.7
182.94656	0.3
184.05244	1.0
185.05896	0.4
195.04448	1.5
196.05240	0.6
197.06050	2.0
211.03911	0.8
212.04587	0.4
213.05545	1.0
222.99196	1.1
223.03955	4.1
224.04646	0.7
225.05548	1.1
239.03453	1.3
240.04181	0.5
241.05013	2.8
251.03453	2.6
252.04028	0.3
267.02908	1.8
268.03751	16.1
269.04538	100.0
270.04883	9.6
311.05640	0.3
313.07162	1.3
357.06052	0.5
379.60419	0.3
401.08759	2.0
413.08896	1.5
431.09805	0.9
473.10864	31.0
474.11264	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	473.2176
Annotation	Unknow
Peak:m/z	Relative Intensity
50.98291	3.0
59.01252	72.4
61.98705	100.0
70.73733	5.6
76.88683	3.0
78.95769	4.8
81.98318	2.8
97.45268	3.4
134.04590	10.3
157.69920	3.6
314.05933	5.1
341.07910	92.8
341.11963	6.5
342.07956	5.9
353.29477	4.1
410.14917	21.9
411.15457	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	473.2393
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39749	0.3
50.84624	0.3
51.84253	0.3
53.69396	0.3
57.10154	0.3
59.01250	100.0
60.01592	1.4
61.98719	0.4
69.27309	1.9
69.27736	1.0
71.01256	2.8
72.99196	0.4
73.02814	2.0
83.01257	0.5
85.02821	1.0
87.00777	0.4
89.02298	0.8
98.19953	1.2
99.00738	0.5
101.02332	2.5
113.02328	1.3
127.00261	0.8
138.28787	0.4
143.03441	0.4
149.04550	0.5
161.04448	0.7
161.75311	0.3
166.37311	0.4
199.84036	0.4
276.79208	0.4
278.06625	0.3
381.52731	0.3
413.21945	0.9
431.22601	0.6
473.23929	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.2398
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01760	0.6
55.79959	0.3
57.03331	0.7
58.00472	0.8
59.01255	100.0
60.01585	1.6
61.01666	0.4
69.03342	1.7
71.01259	21.3
72.01594	0.4
72.99193	1.6
73.02830	3.6
75.00725	0.3
81.03345	0.6
83.01262	1.8
85.02832	4.7
86.03165	0.3
87.00748	1.9
89.02322	17.1
90.02687	0.4
95.01273	1.5
97.02840	1.9
99.00784	1.5
99.04420	0.4
101.02329	13.6
102.02705	0.5
105.03372	0.4
111.00809	0.6
113.02338	8.1
115.00279	0.5
119.03392	9.4
120.03781	0.3
120.81848	0.3
125.02347	7.5
130.08658	0.3
131.03413	1.6
133.01334	0.3
133.02856	2.4
133.06546	0.4
135.04462	0.3
136.04103	0.3
139.03923	0.6
143.03381	2.7
149.04517	0.9
149.09642	10.7
149.10805	0.6
150.10023	0.6
159.02979	0.5
161.04495	4.5
162.83644	0.3
177.01881	2.4
179.05534	4.0
179.06955	0.3
189.12918	0.4
203.05679	0.3
203.78052	0.3
207.13866	0.5
221.06633	4.9
245.06744	1.0
251.13014	0.4
263.07755	1.8
269.04712	0.5
270.15686	0.3
323.09833	3.6
324.10297	0.4
357.09760	0.3
371.21033	0.5
413.21942	1.9
431.23019	0.7
446.08185	0.3
473.23672	1.8
474.24564	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.239
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45653	0.7
51.80603	0.7
57.03314	1.3
59.01250	100.0
60.01578	0.9
61.98709	0.9
71.01253	23.9
72.99182	2.4
73.02818	5.0
83.01254	2.0
85.02826	6.5
87.00777	1.6
89.02316	15.3
95.01267	1.5
97.02857	1.1
98.20181	0.8
99.00758	1.4
99.04428	1.2
101.02324	13.3
102.50522	0.8
105.03355	1.6
109.66923	0.8
111.00770	0.9
113.02331	7.8
114.02753	0.7
115.00269	2.5
119.03384	7.4
125.02311	5.6
131.03441	1.9
133.01324	1.9
133.02840	12.1
134.03694	0.8
135.04425	1.0
139.03996	0.8
143.03435	2.3
149.09630	6.5
150.09926	0.8
161.04433	4.7
163.11110	0.7
177.01866	11.1
178.02547	2.1
178.51180	0.7
179.05533	2.5
207.13867	2.5
221.06694	2.4
251.12914	2.0
263.07846	1.6
269.14087	1.5
323.09988	3.0
357.10007	0.9
413.21875	2.9
431.23065	2.7
473.23813	8.7
474.24365	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.2756
Annotation	Unknow
Peak:m/z	Relative Intensity
55.71844	14.8
59.01247	100.0
61.98696	28.1
69.67715	81.5
71.01252	38.9
72.10289	17.2
78.95779	45.5
89.02311	34.5
89.30811	14.2
95.15222	14.7
98.19732	17.7
124.33907	16.1
134.04637	62.4
138.20184	14.2
159.83795	13.2
219.84029	16.6
232.39702	13.8
255.03305	15.0
277.21564	15.7
293.21271	21.2
358.10709	15.2
466.39767	15.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	474.2246
Annotation	Unknow
Peak:m/z	Relative Intensity
54.70047	0.9
57.03318	1.0
59.01253	43.7
60.01580	2.0
61.98689	1.7
64.66407	0.7
65.63960	0.8
66.03357	1.7
68.04932	1.0
70.59243	0.7
71.00892	1.2
71.01254	13.3
71.24393	1.5
72.99184	1.5
73.02818	3.8
75.00774	1.0
82.02852	20.5
82.06506	0.8
83.01237	2.4
85.02837	4.1
87.00736	2.1
89.02315	8.2
89.82333	0.8
90.02683	0.9
95.01287	1.2
98.82703	0.8
99.00755	1.3
101.02325	9.5
103.84866	0.9
108.04469	1.0
110.02320	2.8
111.03169	4.3
112.03915	1.9
112.43611	0.8
113.02351	5.5
119.03376	3.7
119.04887	3.4
120.04421	0.8
125.02297	1.5
127.05011	1.7
128.03409	3.6
128.10695	0.9
130.08630	100.0
131.08992	2.4
137.05978	17.2
138.06299	0.9
143.03416	1.1
148.14320	0.8
149.09534	1.3
151.00249	1.8
151.05028	2.5
156.06685	1.2
161.04469	2.3
166.54474	0.7
179.04457	1.8
179.08170	14.0
181.13318	1.5
212.28487	0.8
223.11014	0.8
238.51990	0.9
263.03494	0.9
270.18393	1.1
271.06134	5.7
292.16638	1.3
297.03995	1.1
306.46344	0.9
307.96811	0.9
312.06180	0.9
336.15640	41.0
337.16046	4.3
350.22757	1.0
355.08121	1.1
415.23306	6.6
432.23383	1.2
474.23303	2.6
475.12256	2.7
475.22668	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	474.2625
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01253	1.3
71.01344	0.9
78.73214	0.5
78.95778	28.3
89.60331	0.5
96.96851	2.2
119.74925	0.4
140.01093	2.7
141.80328	0.5
152.99475	2.9
171.00595	3.0
179.23972	0.5
196.03767	1.8
206.41292	0.5
214.04799	3.4
216.88408	0.5
258.84338	0.5
259.20819	0.7
277.21722	100.0
278.22070	12.4
474.26224	17.5
475.26508	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	474.2624
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01246	5.1
60.58797	1.2
61.98676	1.5
70.09739	4.5
78.04854	1.3
78.95775	100.0
96.96845	6.6
98.20509	1.3
98.90420	1.3
108.34648	1.4
114.11931	1.5
116.46951	1.4
122.00071	1.5
134.04623	4.1
140.01108	7.3
152.70134	1.3
152.99507	14.2
154.83458	1.3
171.00562	15.6
192.56059	1.4
196.03728	12.8
214.04779	2.0
220.84177	1.3
275.20029	1.6
277.21713	98.4
278.21967	9.3
474.26248	71.4
475.26797	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	475.1307
Annotation	Unknow
Peak:m/z	Relative Intensity
56.62612	4.5
56.65641	5.7
69.59888	8.9
69.60195	32.9
71.01257	15.9
75.91096	5.3
91.20082	4.8
94.76640	5.8
95.12473	4.4
95.94749	4.7
96.36165	5.5
98.33140	5.4
115.00269	33.9
133.01331	100.0
133.04881	5.6
228.38449	5.4
268.15283	5.2
361.87576	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	475.1457
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03473	2.6
55.01762	3.1
59.01252	63.4
61.11328	2.7
69.03333	4.5
71.00893	5.2
71.01255	66.1
71.53087	2.9
72.99180	4.4
73.02832	5.6
81.03342	2.9
83.01243	4.9
83.69753	2.7
84.08202	2.3
85.02814	15.7
87.00745	6.0
89.02313	59.5
91.01762	19.5
91.42324	2.4
93.03339	16.4
95.01294	2.9
97.02828	5.7
101.02317	39.5
107.04935	2.7
113.02329	25.5
119.01260	9.0
119.03396	25.0
121.02842	15.4
125.02348	22.8
131.03391	6.3
137.02330	11.4
143.03409	7.2
150.86449	2.6
151.03914	100.0
161.04475	9.7
166.00870	4.3
179.05510	8.7
198.17076	3.0
221.06609	13.9
323.09854	6.6
375.72229	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	475.247
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01258	29.3
64.66733	6.1
71.01247	13.9
71.53880	7.7
76.55727	5.6
89.90575	6.1
95.64989	6.5
101.02376	9.2
111.85863	6.5
122.08345	7.5
152.36714	6.0
153.26157	6.0
192.90863	5.6
194.07642	5.8
202.94920	5.8
277.21741	100.0
278.21979	10.2
319.22665	7.1
418.08069	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	475.255
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01767	0.6
57.03328	3.8
58.03690	0.5
59.01252	100.0
60.01585	1.5
61.98708	1.0
69.25544	2.1
69.25967	2.3
71.01253	21.6
72.99200	1.4
73.02822	6.6
75.00758	1.3
83.01266	2.8
85.02827	7.7
85.99976	0.5
87.00778	2.0
87.04417	1.5
88.97793	0.5
89.02321	8.3
93.03362	1.4
94.38982	0.5
95.01263	1.9
97.02826	0.7
99.00772	2.0
99.04415	2.8
101.02325	16.1
102.02727	0.5
105.28495	0.5
111.00846	0.5
113.02333	12.0
114.02672	0.6
119.03383	3.8
122.77814	0.5
125.02364	2.0
131.03398	1.0
137.02357	2.0
143.03418	1.5
159.02899	1.4
160.01668	0.8
161.04460	10.9
162.02220	0.7
162.04851	0.7
175.03943	0.5
179.05573	1.6
184.34645	0.5
199.20215	0.5
253.18158	0.5
271.19199	1.7
313.03760	1.3
314.97903	0.5
337.09760	0.7
355.21194	0.9
379.21600	1.1
415.23404	28.6
416.23657	4.3
431.23660	1.0
433.24423	7.0
433.30054	0.6
434.24725	1.0
475.22293	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	475.2547
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03323	0.6
58.00462	0.3
58.69466	0.3
58.97373	0.3
59.01249	100.0
59.65380	0.3
60.01587	1.3
61.98696	0.3
64.05082	0.3
71.01250	6.5
71.11493	0.7
72.99184	0.4
73.02829	2.3
83.01259	0.9
85.02811	1.5
87.00769	0.4
87.04402	0.4
89.02317	3.5
89.07729	0.3
95.01302	0.4
99.00768	0.4
99.04423	0.7
101.02314	4.3
113.02312	2.8
118.82966	0.3
119.03393	1.5
125.02371	0.6
131.03406	0.5
134.03700	0.4
137.02386	0.7
143.03456	0.4
157.54558	0.3
161.04478	1.7
179.05516	1.3
193.05005	0.5
269.04556	0.9
270.04898	1.1
271.05157	1.0
271.19275	0.9
295.19235	0.9
326.83008	0.3
415.23428	2.6
416.23846	0.3
433.24567	1.7
475.12122	1.1
475.22253	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.255
Annotation	Unknow
Peak:m/z	Relative Intensity
55.28748	0.9
59.01252	100.0
60.01579	1.6
71.01253	12.0
72.99173	2.4
73.02818	3.7
74.69827	1.0
75.00751	1.4
81.80494	1.0
83.01238	2.2
85.02834	5.1
87.00752	1.3
89.02322	3.6
99.00788	1.5
101.02321	12.1
107.35099	0.9
113.02313	5.7
142.14642	1.0
153.19601	1.1
156.90974	1.0
159.02840	1.7
161.02440	1.7
161.04428	6.9
163.34312	0.9
179.06993	1.7
323.11273	1.0
338.43579	1.0
357.44623	1.0
415.23355	19.0
416.23715	3.6
453.57709	1.0
459.22461	5.3
475.14859	2.1
475.25195	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	476.2785
Annotation	LysoPE(18:2w6/0:0)
Peak:m/z	Relative Intensity
55.81659	0.4
70.55990	0.9
71.75057	0.3
78.95781	15.6
96.96808	0.6
139.49736	0.4
140.01115	2.5
152.99506	2.2
171.00552	1.5
175.03085	0.4
185.13029	0.4
196.03745	0.6
214.04839	2.6
261.22296	0.5
261.31912	0.4
279.23303	100.0
280.23666	12.0
476.27893	12.7
477.28275	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.2782
Annotation	Unknow
Peak:m/z	Relative Intensity
57.22401	0.6
67.39756	0.7
69.23446	4.3
69.23859	1.2
78.95779	100.0
88.98688	0.6
96.96842	8.2
98.19846	1.2
100.86091	0.6
121.99992	1.5
140.01083	6.0
152.99483	14.1
153.99829	0.7
171.00549	13.4
196.03746	10.1
213.73753	0.6
214.04807	2.2
237.85660	0.6
279.23294	91.9
280.23615	9.4
402.24310	1.4
476.27820	71.2
477.28168	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	476.2781
Annotation	Unknow
Peak:m/z	Relative Intensity
62.22644	0.2
63.04747	0.3
69.37397	1.0
69.37811	1.0
73.31866	0.3
78.95777	100.0
96.96844	7.8
140.00999	0.5
145.02924	0.3
150.97955	0.4
152.99492	17.1
171.00562	18.7
172.00807	0.3
174.77426	0.3
214.04820	0.4
259.98126	0.3
279.23315	2.2
301.44711	0.3
402.24219	1.6
409.03052	0.3
476.27817	56.9
477.28171	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	477.1038
Annotation	6-Hydroxykaempferol 3-methyl ether 6-glucoside
Peak:m/z	Relative Intensity
55.01754	3.3
57.03309	1.7
59.01250	58.5
61.98711	3.9
64.20657	1.2
71.01257	30.8
71.53442	1.5
72.99178	1.7
73.02825	7.8
78.56936	1.1
83.01263	3.5
85.02817	8.8
87.00767	1.9
89.02322	16.8
95.01244	1.8
97.02860	1.6
99.00751	6.2
101.02316	18.5
113.02345	9.8
114.02665	1.3
116.50761	1.3
119.03389	5.1
125.02348	1.2
131.03387	3.4
149.04427	6.2
151.00269	2.6
158.85332	1.4
159.06596	1.4
161.04491	8.4
191.05530	1.9
193.37463	1.2
215.03328	1.3
233.06667	1.5
239.13927	1.2
243.02948	14.9
254.02306	1.8
255.03000	20.3
256.03433	1.4
270.01614	1.7
271.02484	46.0
272.02948	4.4
285.04034	1.6
299.01953	12.6
300.02737	100.0
301.03131	9.6
304.74146	1.3
314.04330	5.9
315.05112	83.3
316.05295	6.8
345.19156	9.3
410.15402	1.4
417.25177	7.5
461.23886	1.5
462.08139	2.3
477.10400	35.4
477.23340	21.1
477.29950	3.0
478.10867	6.3
478.23608	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.1037
Annotation	isorhamnetin-3-O-glucoside
Peak:m/z	Relative Intensity
67.13261	0.5
71.01311	0.8
72.85834	0.5
107.01296	0.7
135.00778	0.6
142.04648	0.5
151.00273	2.2
171.04460	0.9
175.03986	0.6
178.99838	1.2
189.01907	0.8
199.03908	3.6
200.04262	0.6
201.01900	1.1
203.03398	1.1
204.04141	0.8
215.03487	3.1
216.03957	0.6
216.96373	0.5
227.03455	4.2
229.01300	0.8
242.02150	7.6
243.02960	40.0
243.58081	0.6
244.03275	3.3
255.02913	1.3
257.04553	12.4
258.04907	1.2
270.01712	10.6
271.02475	40.3
272.02768	3.4
285.04041	23.9
286.04691	7.7
287.05341	0.8
299.01990	9.5
300.02698	5.4
314.04312	51.2
315.04916	13.9
316.05487	1.3
357.06055	1.0
477.10379	100.0
478.10727	18.5
478.16058	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.1876
Annotation	Unknow
Peak:m/z	Relative Intensity
51.78029	1.3
58.00462	2.1
59.01253	48.8
69.27539	6.2
69.27960	5.6
71.01253	26.4
72.99178	3.1
73.02799	1.5
75.00748	2.1
77.80795	1.3
80.40277	1.4
85.02831	6.7
87.00735	2.4
89.02321	19.1
95.01266	3.3
100.43297	1.3
101.02321	15.0
106.06493	4.9
113.02359	8.0
119.03396	9.9
122.06013	4.8
132.04456	45.8
133.04755	3.5
134.06020	36.7
150.05519	32.9
152.07019	3.6
155.44278	1.6
158.06038	2.7
167.25056	1.7
176.07086	3.0
179.05594	1.8
181.05000	2.4
251.11873	3.2
269.12967	4.1
279.11353	21.6
297.12448	36.8
298.12668	4.6
299.13959	3.0
314.04288	2.4
314.12469	8.4
388.53964	1.6
417.24777	2.1
459.17789	42.0
460.18030	6.2
477.18823	100.0
478.19095	18.8
496.48038	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.1979
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01756	5.3
57.03310	5.8
58.00460	3.1
59.01251	91.8
60.56904	2.7
60.99170	6.1
61.98703	10.5
62.84248	2.5
71.01254	65.7
71.52955	2.8
72.99177	19.5
73.02806	16.9
75.00753	7.6
78.33657	2.5
79.01456	3.1
81.03332	3.2
83.01266	6.5
83.04901	5.6
85.02829	18.9
87.00738	9.1
88.00280	9.4
88.98683	57.0
89.02322	100.0
90.01859	7.5
91.00277	4.8
99.00762	4.3
101.02323	39.6
101.46878	2.5
109.06468	3.9
111.00816	3.5
111.04420	5.0
113.02339	18.0
119.03374	3.9
120.99540	18.3
125.02339	6.2
131.03415	20.0
145.09599	2.7
149.04451	11.3
151.00252	5.3
155.07042	4.8
161.04466	7.0
163.03909	7.8
163.05960	3.4
169.01413	3.7
171.06416	3.3
178.06270	8.5
178.99783	4.0
183.10202	16.3
191.05536	9.6
193.08606	12.2
198.61345	2.6
199.09714	3.6
212.09561	3.0
233.06664	3.6
271.02518	3.1
293.08835	4.1
297.17206	3.4
301.03564	15.2
315.18179	3.6
410.54593	2.8
417.25162	5.4
477.19543	64.0
477.23846	47.6
478.19363	7.6
478.23804	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	477.2342
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01764	7.6
55.93782	1.0
57.03308	3.7
58.06161	1.1
59.01253	62.4
61.98684	1.6
69.03358	1.3
69.32711	9.0
70.10127	1.2
70.23102	1.0
71.01254	100.0
72.01588	1.4
72.99177	2.7
73.02821	28.4
75.00731	2.0
81.03352	1.8
83.01249	12.7
85.02825	38.5
87.00756	4.9
89.02322	26.1
95.01277	7.0
97.02821	3.4
97.22260	1.2
98.20557	2.2
99.00752	11.0
101.02324	79.2
102.02681	1.6
103.85928	1.2
113.02326	46.0
119.03409	10.6
124.96249	1.0
125.02328	4.7
129.01854	2.8
131.03389	1.9
139.00156	1.1
143.03415	5.8
149.04433	1.3
159.02928	7.8
160.05907	1.1
161.04466	51.9
162.04756	1.6
179.05473	5.2
205.03477	1.2
205.23906	1.4
221.06615	1.5
243.02823	1.6
245.06700	1.8
251.72823	1.1
257.30630	1.2
263.07648	1.6
271.02429	1.8
285.04095	1.2
314.04422	1.6
315.18124	25.4
316.18671	1.7
417.25385	1.3
469.88556	1.1
477.11136	1.7
477.23425	43.9
478.23734	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	477.2341
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01763	4.2
57.03328	4.3
58.00469	2.6
59.01250	93.4
60.01577	1.1
61.98693	1.3
67.45091	0.5
69.03329	1.2
71.01252	100.0
71.45343	0.6
72.01607	1.8
72.99182	6.5
73.02820	21.9
75.00764	1.2
80.18181	0.5
81.03343	1.1
82.92809	0.7
83.01257	10.5
83.04903	0.6
83.93426	0.5
85.02821	31.6
85.05894	0.5
85.99949	0.5
86.03129	0.6
87.00755	7.2
87.16392	0.5
89.02316	70.6
89.76602	0.5
90.02677	1.6
95.01260	7.7
96.01628	0.7
96.95882	7.3
97.02839	2.8
99.00745	7.5
101.02322	76.6
102.02673	1.9
107.03457	0.6
111.00773	1.4
112.74757	0.5
113.02329	41.5
114.02663	1.2
118.28236	0.6
119.03384	33.9
120.03734	0.7
125.02355	4.4
129.01839	0.7
131.03398	8.7
143.03404	11.4
144.03722	0.5
149.04454	3.2
159.02904	5.0
161.04463	30.5
162.04765	1.1
167.03302	0.5
179.05530	46.0
180.05864	3.0
205.03438	1.1
221.06609	19.8
222.06900	1.3
243.02852	1.6
263.07608	0.7
271.02362	1.8
285.04010	1.2
299.01813	0.7
314.04169	2.0
315.05026	0.7
315.17978	1.5
369.37540	0.6
417.25006	2.6
418.25317	0.7
433.11334	1.1
477.10620	8.8
477.22903	11.3
478.10617	1.4
478.23560	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	477.2705
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01755	4.5
57.03326	4.2
58.00464	2.7
59.01250	86.8
60.01585	1.1
61.98702	1.1
69.03330	1.5
69.17548	0.5
70.27885	1.4
71.01252	100.0
72.01591	2.6
72.99181	6.4
73.02819	22.5
75.00755	1.8
83.01257	11.4
84.02060	0.5
85.02821	34.5
86.03179	0.8
87.00746	7.1
89.02316	59.5
90.02654	1.0
95.01265	6.8
97.02825	2.2
98.20314	1.0
99.00756	6.4
101.02322	81.0
102.02668	1.8
108.18089	0.4
111.00768	1.2
113.02328	42.8
114.02673	1.5
115.03915	0.5
119.03387	27.4
120.03712	0.7
125.02351	3.9
129.01753	0.8
131.03394	5.4
132.46703	0.5
143.03398	9.6
149.04500	2.5
159.02914	5.2
161.04466	33.0
162.04773	1.4
179.05524	28.7
180.05872	0.7
205.03424	1.1
221.06593	10.9
222.06940	0.6
243.02980	1.4
245.06580	0.7
253.17961	0.7
255.15948	1.2
255.19563	1.0
257.53152	0.5
263.07590	0.9
271.02502	1.4
285.04022	0.7
299.01819	0.6
309.92096	0.5
314.04285	1.7
315.05261	0.5
315.18167	4.8
417.24936	23.7
418.25381	3.2
435.25787	0.8
477.10269	2.0
477.23245	22.1
477.33798	0.8
478.10327	0.6
478.23666	3.0
494.42313	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.157
Annotation	Unknow
Peak:m/z	Relative Intensity
55.26838	1.5
59.01250	8.6
61.66083	1.6
61.98707	100.0
69.48599	11.1
71.01260	7.4
73.02829	10.8
74.40079	1.5
78.95776	2.4
83.01256	2.8
100.30882	1.5
101.02357	5.4
121.19891	1.5
152.99588	2.2
155.57365	1.5
167.10674	8.1
191.10762	3.2
209.11932	2.3
224.62405	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	478.2939
Annotation	PE(18:1(9Z)/0:0)
Peak:m/z	Relative Intensity
64.25440	0.3
68.20998	0.4
69.82556	0.9
69.82975	0.8
76.28178	0.3
78.95776	7.2
86.26789	0.3
137.04559	0.4
140.01088	2.0
152.99506	1.1
168.24675	0.4
196.03728	1.3
200.66861	0.5
214.04807	3.0
216.87286	0.3
253.04735	0.3
280.14816	0.3
281.24850	100.0
282.25195	12.2
286.56229	0.4
408.70615	0.4
459.39706	0.4
478.29440	9.9
479.29678	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.0831
Annotation	Gossypetin 8-glucoside
Peak:m/z	Relative Intensity
59.01252	20.5
65.00188	5.0
69.38559	8.3
69.38974	6.8
71.01242	16.5
72.99171	4.8
73.02798	2.7
75.00719	2.3
83.01259	3.7
83.04877	4.6
83.42122	2.1
85.02814	6.4
85.13638	2.0
89.02300	6.6
95.01268	2.5
99.50626	2.3
101.02332	7.7
105.90585	2.2
107.01283	3.9
109.02832	5.6
109.99969	5.4
111.00771	5.8
113.02315	6.9
119.03426	2.7
121.02836	2.6
122.06017	2.2
123.00775	6.1
124.01543	4.3
137.99413	2.5
139.00246	8.8
151.00237	12.7
152.01044	6.9
153.01814	6.3
155.10764	2.5
161.02371	2.2
161.04442	3.5
163.00275	4.7
164.00914	3.4
165.98999	4.6
166.99702	3.8
178.99763	14.7
183.15749	2.5
187.03905	3.7
198.03098	2.3
199.03906	7.1
201.01886	3.0
203.03339	3.4
214.02663	6.1
215.03436	5.5
227.03470	8.7
229.01378	2.3
231.02934	4.0
241.01318	4.4
242.02142	8.9
243.03032	10.6
244.03575	4.1
255.03023	5.4
259.02383	4.9
270.01666	8.6
271.02438	49.1
272.03070	11.7
273.03955	6.1
287.01981	22.2
288.02585	8.3
299.01965	42.6
300.02390	4.8
316.02213	76.3
317.02930	41.5
318.03253	3.8
461.07523	3.4
479.08304	100.0
479.18634	4.2
479.24777	30.1
479.31659	3.7
480.08939	15.3
480.15115	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.1771
Annotation	Unknow
Peak:m/z	Relative Intensity
50.56064	2.9
57.03325	6.3
59.01250	100.0
61.98714	19.5
63.37450	3.0
69.03329	5.2
69.23132	12.6
69.23558	11.7
71.01255	58.6
72.99181	17.6
73.02802	6.6
75.00732	4.9
79.05428	4.2
83.01248	4.6
83.04893	7.2
83.75660	2.5
85.02818	17.1
87.00770	8.9
89.02316	38.2
95.01282	5.8
95.04886	5.3
97.02835	4.0
97.06467	6.8
98.20686	6.1
99.04405	13.2
101.02321	34.3
109.02836	6.9
111.04454	3.2
113.02321	23.8
119.03380	17.1
121.05859	2.9
122.05955	3.2
123.04416	2.9
123.08020	7.5
125.02385	4.0
125.05995	5.7
129.01869	3.8
139.03926	3.8
141.05429	3.5
151.00285	8.3
152.01016	3.8
160.01575	3.3
161.04500	4.6
163.00250	3.1
163.11140	3.7
167.07008	7.2
175.03947	8.2
175.11234	10.5
178.99806	6.9
179.05510	10.8
195.10208	3.1
200.08521	2.9
207.10179	7.3
227.03352	4.3
242.02136	3.8
243.02934	6.9
244.03307	3.5
270.01331	3.3
271.02524	6.4
272.02890	5.0
273.03326	4.1
281.10037	4.5
285.03818	4.2
299.01941	7.9
299.11368	11.2
314.04498	7.3
316.04993	5.7
317.02997	4.1
317.15085	3.8
387.16711	10.6
399.10110	26.2
451.21320	3.4
461.07584	3.3
479.10422	17.2
479.17661	34.4
479.25012	12.3
479.31500	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	479.205
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01225	2.7
62.74873	1.7
69.90376	7.8
70.39837	1.9
72.05523	1.7
75.86705	1.6
78.95778	53.8
96.96836	7.1
108.78969	1.8
109.02224	1.8
121.26043	1.9
134.66039	1.9
148.52707	1.8
150.97952	2.5
152.99487	100.0
171.00597	3.2
177.01326	1.6
302.72278	2.1
479.20609	7.7
480.20264	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.2649
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01731	1.1
59.01252	100.0
60.01579	2.1
61.98703	2.4
70.86693	2.1
70.87038	1.7
71.01256	17.1
72.99187	1.4
73.02822	6.1
73.86409	0.8
78.32063	0.9
82.24358	0.9
83.01276	3.0
85.02823	5.2
88.21458	0.9
89.02310	8.0
90.07581	0.9
95.01260	1.7
101.02326	11.6
103.17764	0.9
113.02338	6.6
119.03377	3.2
121.21878	1.0
143.03386	1.3
155.21227	0.8
161.04446	2.2
165.22003	0.9
179.05548	1.7
242.03249	1.0
407.81100	1.1
437.25418	1.3
479.22861	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.1727
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01259	44.4
61.98709	100.0
69.60582	8.3
71.01260	9.7
71.77925	1.4
73.02834	2.9
75.00761	3.7
85.02847	3.7
89.02330	5.0
98.19927	3.1
98.20522	3.0
99.00763	3.2
101.02347	6.7
108.02023	2.2
113.02353	2.8
119.03458	2.1
157.06404	1.4
172.04781	1.5
210.69823	1.7
227.03462	2.1
242.02361	1.7
243.02861	7.4
244.03372	9.2
245.03458	6.3
246.03783	5.7
257.12955	1.7
258.04916	2.6
259.05191	2.5
271.02365	6.3
272.02631	10.1
273.03003	9.2
274.03378	6.8
285.03961	2.1
286.04465	6.2
287.04807	4.5
288.05084	4.1
299.01852	2.3
300.02438	3.3
301.02942	1.9
302.03064	2.0
314.04166	2.8
315.04715	8.2
316.04950	8.2
317.05374	11.3
318.05756	2.0
331.17810	2.1
357.35992	1.8
385.16403	1.4
480.11288	42.5
481.11209	4.7
481.27585	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	480.1725
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	54.1
60.01561	2.1
61.98702	100.0
63.86102	2.1
71.01250	18.7
71.53756	3.5
73.02827	4.9
77.77863	1.9
85.02808	6.0
89.02329	6.0
91.75747	2.2
101.02354	10.7
101.59403	2.0
113.02328	4.8
115.11021	1.9
117.54214	1.9
118.07444	2.1
119.03384	2.7
149.04437	2.2
193.04958	2.9
226.57692	2.3
288.06705	2.1
305.89359	2.6
360.92685	2.4
479.24677	6.5
480.25696	27.9
481.26065	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	481.2292
Annotation	Unknow
Peak:m/z	Relative Intensity
52.07446	1.2
55.01751	2.5
57.03308	2.1
58.00453	3.4
59.01252	80.1
61.98673	3.4
69.03299	3.6
69.23476	7.9
71.01254	79.4
72.01585	1.4
72.99159	4.3
73.02441	1.6
73.02824	25.0
75.00715	2.7
81.03349	1.5
83.01260	6.5
85.02348	1.3
85.02830	16.7
87.00731	2.9
89.02318	100.0
90.02646	2.3
95.01250	3.9
97.02840	8.5
98.20547	2.0
99.00761	39.5
99.04382	2.3
101.02322	62.6
102.02667	1.3
103.52757	0.9
111.00721	2.2
113.02329	17.6
114.81507	1.1
115.03919	6.9
119.03370	8.8
125.02329	10.5
127.03842	1.0
131.03391	17.9
143.03368	5.4
149.04460	61.5
150.04729	1.8
157.64960	1.1
159.02794	1.1
161.04477	11.3
179.05486	3.3
187.13365	4.7
190.36108	1.1
191.03952	1.7
191.05528	16.0
215.21786	1.0
221.06621	5.4
233.06619	11.2
251.07686	6.5
293.08777	9.5
311.09909	2.0
349.18649	21.3
350.18973	2.3
358.63364	0.9
399.60196	1.7
481.11215	5.0
481.22748	64.9
482.23294	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	481.229
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01747	1.8
57.03314	3.1
58.00465	4.0
59.01250	75.2
60.01560	1.1
61.98694	1.2
65.66673	0.9
69.03328	4.4
71.01254	83.8
72.01599	1.7
72.99161	5.1
73.02817	25.4
75.00731	3.0
79.00706	0.8
81.03333	1.9
83.01250	7.3
85.02341	1.3
85.02821	14.8
87.00756	4.4
89.02316	100.0
89.98253	0.8
90.02634	1.0
95.01252	3.1
97.02822	8.5
99.00758	40.0
99.04385	1.6
101.02325	66.3
102.02613	1.7
111.00719	2.7
112.55247	0.9
113.02325	19.0
115.03886	6.4
119.03407	8.8
124.07567	0.8
125.02357	14.2
126.32999	0.8
127.03902	1.2
131.03395	18.4
141.19498	0.9
143.03409	6.2
149.04459	67.6
150.04796	1.6
159.02786	0.9
161.04449	12.4
179.05499	3.4
187.13310	4.7
191.05531	18.1
192.05707	0.8
221.06593	3.8
232.45035	0.8
233.06635	13.5
251.07677	9.0
271.02338	0.9
273.02716	0.9
274.03232	1.1
275.07727	1.1
293.08746	9.7
311.09637	2.4
349.18677	29.3
350.18936	2.5
399.59995	0.9
481.11172	5.7
481.22781	75.8
482.23172	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	481.2576
Annotation	Unknow
Peak:m/z	Relative Intensity
57.81231	0.7
70.82962	1.6
78.95782	45.9
87.81969	0.7
91.11478	0.7
96.96852	3.9
115.05177	0.7
118.06332	0.7
130.82573	0.7
152.99504	59.2
153.99904	1.4
171.00583	18.3
184.23366	0.7
227.03227	4.3
245.04311	100.0
246.04675	3.8
253.21730	62.4
254.22046	5.7
283.98462	0.8
304.28009	0.8
353.31430	0.8
425.90115	0.9
481.25714	34.0
482.25949	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	481.2571
Annotation	Unknow
Peak:m/z	Relative Intensity
50.96375	0.8
51.15534	0.7
51.96922	0.7
78.95311	1.9
78.95773	37.0
96.96835	4.1
98.19807	2.5
152.99493	59.4
153.99785	1.7
171.00551	20.7
227.03143	4.3
229.33388	1.0
229.35664	1.0
245.04289	100.0
246.04539	4.2
253.21704	65.6
254.22032	5.1
264.52368	0.8
376.09332	0.8
395.02756	0.9
481.25662	35.4
482.26120	5.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	482.2406
Annotation	Unknow
Peak:m/z	Relative Intensity
52.01790	0.4
58.02851	0.4
59.01254	2.7
61.98696	0.6
66.03354	4.6
68.04927	1.9
70.02868	0.6
71.01257	0.9
71.02382	2.2
71.25020	0.7
71.88024	0.4
80.04958	0.6
82.02854	53.9
83.02387	1.7
83.03189	0.8
84.04406	0.6
87.00764	0.3
94.02873	0.8
96.04452	0.3
97.00307	3.4
98.01092	12.0
99.01890	0.9
100.07546	0.8
101.02318	0.5
107.02412	0.8
108.04423	3.1
109.03960	5.4
110.02370	4.0
110.03494	1.3
111.01985	1.8
111.03147	10.4
111.05519	13.4
112.03938	4.2
112.07597	0.9
116.04961	2.9
118.06512	1.3
120.04434	1.9
123.05630	0.5
123.09194	0.4
124.03941	0.5
125.03428	1.1
127.05025	34.3
127.08656	0.8
128.03438	6.8
128.05379	0.7
129.10226	50.5
130.10582	1.3
136.01410	0.5
136.07564	0.5
136.11197	0.7
137.03474	1.2
139.05045	0.4
139.08694	0.7
140.07086	2.8
146.06013	47.5
147.06369	2.1
148.07542	0.7
149.05954	0.5
150.04240	1.4
150.05344	0.4
150.07896	1.0
151.05051	2.7
151.08675	1.2
153.06641	0.8
154.02489	1.0
154.07382	1.1
155.08163	100.0
156.08522	3.8
161.07123	0.8
162.05579	0.4
163.04977	0.4
163.08687	0.9
165.05357	5.9
166.03838	0.6
167.06770	0.4
167.10561	1.7
168.08957	0.8
171.11369	0.6
173.07103	0.6
174.05557	1.8
177.02968	8.7
177.06618	0.5
178.03329	0.4
179.08179	17.3
179.11728	1.8
180.08591	0.9
180.10216	4.2
181.13388	0.7
183.06410	0.8
185.11610	0.5
187.04860	0.4
189.06628	2.6
191.11861	0.5
195.07704	0.5
195.11320	1.2
202.07451	0.6
204.07819	0.6
205.06087	1.2
205.07616	0.6
206.12915	0.8
207.11319	6.3
212.09537	0.5
214.08662	0.9
221.06578	0.4
222.08990	2.1
222.12410	10.9
223.10818	15.9
223.12433	0.7
224.11287	1.1
224.13985	10.2
225.14474	0.6
227.06889	0.6
231.15004	0.6
240.11389	0.5
240.13490	13.9
241.09790	4.4
241.13618	4.1
242.11867	6.2
242.14056	0.2
245.08049	3.3
246.12471	1.1
256.10898	10.4
257.09177	5.5
258.09964	1.0
258.12448	30.7
258.15979	2.0
259.12695	1.9
259.14661	1.7
262.14319	0.7
274.11972	61.3
274.15359	2.9
275.12299	5.6
276.17148	58.7
277.17514	5.3
279.58057	0.3
281.38858	0.3
284.14023	2.7
291.18231	0.6
292.16727	2.0
302.15082	36.1
303.15408	3.4
308.17648	0.7
310.19327	1.2
318.14545	0.8
326.18631	1.7
328.17456	0.4
330.18213	0.4
335.17178	0.5
342.18210	0.6
353.19818	2.8
354.17963	1.7
369.19293	0.5
371.20929	4.6
372.21240	0.4
398.19714	0.5
399.19830	0.5
438.25247	0.9
439.23529	0.6
464.22864	3.3
465.23373	0.6
482.24069	36.9
483.24408	7.0
483.31485	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.1509
Annotation	Unknow
Peak:m/z	Relative Intensity
51.47012	0.7
59.01255	100.0
60.01604	1.2
61.98718	1.2
70.66745	1.3
71.01262	2.8
88.93527	0.7
111.00781	2.5
115.33102	0.8
121.02779	1.0
172.85829	0.8
241.23691	0.8
269.70261	0.8
433.28180	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.2003
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03320	20.5
59.01250	100.0
61.98713	19.5
71.01248	45.7
71.53397	12.9
78.95766	29.7
82.02892	10.4
85.02837	12.7
89.02333	19.0
95.01320	8.8
99.00787	10.3
101.02290	21.1
113.02354	15.4
134.53397	8.4
141.18265	8.4
152.99452	46.6
203.74704	9.6
290.72504	9.5
305.10983	10.3
465.32379	10.6
483.22058	36.3
483.33975	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	483.2233
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03314	1.9
59.01234	0.3
67.01757	2.6
70.40346	0.8
85.02826	0.4
87.00739	5.6
111.00760	100.0
112.01110	2.7
119.82881	0.3
128.75909	0.3
173.00832	6.4
195.18448	0.3
231.28537	0.3
256.63998	0.3
291.19781	0.6
309.20728	0.7
433.49149	0.3
446.85138	0.3
504.18674	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.2237
Annotation	Unknow
Peak:m/z	Relative Intensity
54.00939	0.2
57.03328	1.6
59.01244	1.1
61.98712	0.3
63.94677	0.3
67.01762	1.9
79.79341	0.2
83.01311	0.4
85.02818	0.9
87.00751	8.3
96.44432	0.3
98.19655	0.4
111.00765	100.0
112.01100	3.3
129.01822	0.9
173.00850	7.0
229.51463	0.3
309.20770	1.2
483.22464	0.6
483.31134	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.2729
Annotation	Unknow
Peak:m/z	Relative Intensity
51.69806	0.6
62.52155	0.6
63.14134	0.7
69.89214	3.1
78.95776	17.7
85.60377	0.8
96.96842	1.6
114.44706	0.7
146.02390	1.9
152.99490	27.6
165.44756	0.6
171.00525	0.9
227.03172	4.9
245.04236	1.2
255.23270	100.0
256.23605	10.3
322.96378	0.7
391.22369	0.8
483.27304	54.1
484.27524	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	483.273
Annotation	Unknow
Peak:m/z	Relative Intensity
51.98344	0.3
61.21490	0.3
70.55698	0.8
78.95773	6.6
94.19479	0.3
96.96811	0.7
109.74685	0.3
115.97366	0.3
152.99498	13.9
153.00746	0.7
153.99942	0.3
171.00542	1.2
227.03189	2.4
230.03438	0.3
245.04265	1.3
255.23277	100.0
256.23615	10.5
421.54626	0.3
438.37741	0.3
480.60406	0.3
483.27310	24.6
484.27625	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	485.1777
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01257	24.3
59.09434	1.9
70.86588	3.9
71.01259	27.9
73.02812	8.1
83.01265	2.2
84.61218	1.9
85.02824	8.2
87.00748	6.8
89.02336	12.1
95.01271	3.1
98.20258	2.7
99.92461	3.9
101.02332	17.2
113.02319	6.7
115.91983	6.1
119.03394	4.4
121.70922	1.7
128.43178	1.8
131.03426	3.0
148.77058	2.5
160.06361	8.6
161.04468	8.0
161.07121	67.6
162.07457	4.5
167.94194	1.9
175.08679	29.1
179.05405	2.0
187.08685	5.5
189.06631	97.1
190.06885	5.6
203.08199	20.5
221.06610	8.8
305.11423	12.7
323.12485	4.0
467.16489	2.2
485.03885	4.3
485.17786	100.0
485.27579	3.6
486.18161	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	485.2393
Annotation	Unknow
Peak:m/z	Relative Intensity
51.97522	0.5
57.03318	2.4
58.02412	0.5
59.01245	2.0
62.25761	0.6
67.01758	1.9
69.46768	3.9
77.42038	0.6
85.02818	1.6
87.00750	8.1
88.98699	0.6
111.00764	100.0
112.01091	3.3
112.98717	0.6
173.00847	6.4
230.09644	0.6
258.26947	0.6
304.20425	1.2
311.22348	1.9
312.22415	0.6
336.50684	0.6
399.74582	0.7
400.25705	0.8
474.53827	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.2391
Annotation	Taxuyunnanine P
Peak:m/z	Relative Intensity
52.78214	1.6
56.32782	1.5
57.03345	1.6
58.00460	1.7
59.01250	85.6
61.98701	1.4
66.79758	1.6
69.56112	2.3
69.56506	7.1
71.01250	29.2
72.99180	3.8
73.02822	17.9
75.00758	1.4
83.01250	6.4
85.02814	11.3
87.00748	3.0
89.02320	11.8
95.01266	1.7
98.19780	1.7
98.20358	3.7
100.61437	1.4
101.02325	22.8
113.02309	12.4
119.03374	2.5
124.33051	1.3
124.33951	1.3
125.02315	2.0
161.04466	3.0
174.01645	3.8
223.13324	2.0
263.16425	2.4
367.21231	6.7
425.21838	5.9
443.22845	10.2
483.69000	1.5
485.23892	100.0
486.24298	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	485.2772
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03320	1.4
57.79353	0.3
59.01255	100.0
60.01591	1.2
67.01762	1.6
68.02094	0.3
70.45128	0.5
70.45490	0.7
85.02827	0.6
87.00761	3.9
88.01108	0.9
89.01231	0.4
101.82857	0.3
111.00772	55.8
112.01112	17.7
113.01199	8.9
113.35419	0.3
118.31824	0.3
125.09659	0.6
127.65606	0.3
173.00845	3.2
174.01173	1.2
175.01257	1.1
187.09689	0.3
239.11128	0.3
310.20679	0.4
311.21356	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	486.2682
Annotation	Unknow
Peak:m/z	Relative Intensity
53.57769	0.9
59.01249	1.4
69.82424	2.5
75.70781	0.9
81.21989	0.7
85.95417	0.7
87.03355	0.8
88.03912	58.2
90.91924	0.9
112.66603	0.8
113.13562	0.8
147.08038	2.3
149.09610	1.9
161.09537	1.0
163.11180	3.4
187.11220	2.6
215.76756	1.0
224.99754	0.9
242.48436	0.8
279.13889	1.1
280.14700	1.4
309.22247	2.2
321.18393	1.1
337.21716	100.0
338.22086	12.9
382.27484	1.0
486.26990	10.0
487.27255	3.0
487.34293	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.2183
Annotation	Unknow
Peak:m/z	Relative Intensity
56.55861	0.7
57.03311	0.8
59.01250	100.0
60.01590	0.9
62.64456	0.7
69.44498	3.5
69.44912	1.4
71.01257	4.9
73.02833	4.3
82.02844	0.7
83.01280	1.1
85.02863	1.1
89.02311	1.7
97.55331	0.8
101.02331	6.4
113.02345	2.4
130.08672	2.2
133.01297	0.8
133.04121	0.7
161.04410	1.2
162.05579	0.8
205.12329	3.2
268.03693	2.0
278.64059	0.9
283.06226	3.2
336.15674	1.2
487.12762	1.0
487.21799	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.2184
Annotation	Unknow
Peak:m/z	Relative Intensity
53.89672	0.6
54.17247	0.7
57.03326	0.9
59.01251	100.0
60.01586	1.1
61.98701	1.0
67.08739	0.6
67.09108	0.7
69.03310	0.7
71.01260	7.6
72.00785	0.8
73.02821	4.9
83.01258	1.6
85.02852	3.0
87.00770	2.5
89.02329	3.3
93.03358	1.7
96.00791	0.7
97.02827	0.7
99.04364	0.7
101.02319	6.6
108.02060	0.9
109.02881	1.2
113.02330	5.4
119.03398	1.7
119.04918	1.1
121.06495	1.4
128.03418	1.4
131.03448	1.2
142.53807	0.8
143.03421	0.8
146.06078	1.8
147.08066	1.7
149.04436	0.9
149.06088	0.8
152.01085	1.5
161.04500	1.9
163.03935	1.3
163.11205	14.6
163.12523	1.2
164.11528	0.9
175.11160	4.8
180.06590	5.8
187.11240	2.9
190.05121	0.7
203.05603	2.5
205.12283	33.3
206.12674	3.1
221.06555	1.4
263.07721	2.3
297.06378	0.8
427.20001	1.1
466.02292	0.9
488.11887	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.1459
Annotation	Unknow
Peak:m/z	Relative Intensity
55.38921	2.3
57.03318	2.4
57.59494	2.3
59.01256	19.0
71.01256	94.4
72.99175	31.3
74.68887	2.6
75.99645	2.2
87.00744	25.6
89.02341	12.7
97.67343	2.6
101.02336	6.5
110.52190	2.6
111.00845	2.6
111.84495	2.4
113.02328	3.4
115.00239	22.7
129.01840	42.8
133.01289	5.1
147.01775	5.4
147.02898	100.0
147.04066	5.3
150.03122	6.9
150.04317	2.9
165.05530	6.2
179.05504	7.1
196.76083	2.5
229.05820	2.4
237.64107	2.5
267.83124	3.0
288.91086	4.2
299.90039	2.4
341.10855	29.3
506.37387	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	489.1513
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	30.2
61.98706	3.6
63.63612	1.9
70.55574	4.7
71.01251	23.4
72.99192	2.4
73.02829	2.2
78.02634	1.6
78.18817	1.8
83.01241	3.6
85.02816	2.8
87.00747	30.2
87.33576	1.8
89.02322	4.4
98.20486	2.4
101.02325	5.0
102.01894	1.8
111.00740	5.3
113.02310	6.0
115.00252	58.5
119.03429	2.3
121.02853	20.9
127.00259	2.7
139.00291	12.6
147.50398	1.9
157.01321	23.5
175.02400	100.0
176.02760	3.3
220.94136	1.8
226.12332	4.1
241.07549	2.1
267.11301	2.0
269.12921	12.9
270.13403	2.4
292.36853	2.0
299.14020	3.4
299.23209	1.9
313.11884	10.9
314.12228	1.9
343.13254	2.2
371.12375	10.0
408.10403	1.7
409.14154	8.9
427.14993	9.6
429.12878	2.8
429.20883	2.2
489.14990	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	489.1615
Annotation	Unknow
Peak:m/z	Relative Intensity
50.48061	2.8
58.00470	3.7
58.15202	3.3
59.01248	100.0
71.01248	71.3
71.32881	3.1
72.99192	7.8
73.02823	15.5
83.01291	5.0
85.02835	12.9
85.65981	3.4
87.00762	8.4
89.02312	63.6
95.01242	3.6
97.02854	5.0
100.62578	3.0
101.02322	54.0
113.02328	25.7
119.03381	18.1
121.02862	5.3
125.02373	15.5
131.03412	19.7
132.02060	8.8
134.03622	25.0
135.08040	23.4
143.03409	6.7
149.04442	19.0
150.03186	6.2
151.06036	3.8
151.24258	3.1
160.01575	46.6
161.04468	14.4
165.03970	5.4
165.09108	9.7
175.00414	3.5
175.03920	58.0
176.04561	6.0
179.05498	8.1
191.05565	5.3
191.07095	15.1
193.04980	52.2
207.06520	3.6
221.06665	9.8
224.50322	3.9
233.06635	3.8
235.06039	39.8
265.07172	8.4
295.08136	10.5
323.09833	7.2
357.15573	9.5
374.40689	3.4
489.15271	38.8
490.16241	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	489.1981
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01760	3.4
57.03327	3.7
58.00470	5.2
59.01255	100.0
59.08434	2.1
65.18145	2.1
66.91512	2.5
69.03332	5.7
71.01260	98.1
71.32902	3.2
72.99175	6.8
73.02841	15.2
81.03339	2.5
83.01274	7.5
85.02834	24.9
87.00758	10.0
89.02321	79.2
95.01257	5.4
97.02823	12.1
99.00764	6.3
101.01701	3.7
101.02335	63.9
113.02335	33.7
113.03077	3.8
119.02589	2.3
119.03403	41.6
122.03658	2.5
123.04475	2.8
125.02341	35.9
131.03383	7.3
143.03453	13.7
148.42508	2.1
149.02226	2.6
149.04419	2.7
149.05992	3.8
151.07559	2.2
160.01599	2.8
161.04507	14.6
164.08339	15.2
165.04189	3.4
165.05511	15.9
165.09148	19.6
179.05530	19.8
179.06995	4.9
207.10239	2.1
221.06622	19.9
263.07770	9.0
323.09808	28.4
332.22186	2.2
489.19720	6.2
490.20581	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	489.2342
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01755	1.0
57.03324	1.6
58.00480	0.6
59.01250	100.0
60.01586	1.2
69.03341	1.3
71.01254	16.9
71.19971	0.7
72.99201	0.8
73.02819	7.6
75.00755	0.6
81.03338	0.7
83.01263	2.6
83.04929	0.3
85.02825	9.8
87.00755	6.7
89.02310	4.3
93.03317	0.5
94.53115	0.3
95.01256	1.9
97.02823	1.8
99.00760	4.9
101.02323	8.0
108.02068	0.6
109.16588	0.3
111.00784	0.8
113.02328	11.3
114.02733	0.3
115.03921	0.4
116.98479	0.3
119.03424	1.0
120.62000	0.3
123.03691	0.4
123.04414	2.0
124.01579	0.5
125.02331	2.7
125.05992	1.4
129.01830	0.7
131.03426	1.3
135.04350	0.4
139.03909	0.6
141.05510	1.0
143.03419	1.7
149.04497	0.6
153.05476	0.5
155.03578	0.4
159.02908	0.9
161.04460	4.7
169.05042	0.9
171.09224	1.1
191.05629	0.4
197.15112	0.3
204.79269	0.3
205.07219	1.0
233.06706	0.5
285.12460	0.9
299.25970	0.7
315.18179	3.7
316.18515	0.3
327.21875	0.4
345.30240	0.9
355.17673	0.5
429.21149	6.5
430.21771	1.0
447.22305	20.0
448.22491	2.9
489.27826	0.6
489.34338	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	489.2701
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01257	100.0
61.98706	33.7
65.85304	12.5
66.85912	12.0
71.01244	49.3
71.53813	17.1
83.04881	22.6
89.02317	56.8
98.20119	13.1
101.02312	24.2
113.02312	18.0
134.04565	14.7
151.03893	18.4
151.07527	47.8
152.08368	23.2
160.68222	15.6
186.42732	17.3
192.41040	15.6
209.15375	54.3
268.52310	14.4
291.19589	43.1
309.17004	89.7
309.20709	86.7
347.15259	34.6
407.17468	26.0
489.31885	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	491.1196
Annotation	Dillenetin 7-glucoside
Peak:m/z	Relative Intensity
51.47540	1.1
53.19313	1.1
55.24893	1.2
59.01249	79.3
61.60866	1.1
61.98701	1.4
63.72041	1.2
71.01260	13.4
71.45536	1.2
72.99150	2.1
73.02809	4.6
75.00740	2.0
76.68369	1.3
83.01248	3.3
84.70006	1.0
85.02821	5.2
89.02336	5.4
95.01302	1.5
96.66611	1.2
99.00737	1.6
99.26447	1.2
101.02317	9.9
113.02329	6.8
119.03410	2.7
125.63253	1.1
130.08618	1.5
139.07602	1.4
143.03406	1.6
161.16356	1.0
167.10661	1.1
171.08342	1.1
214.02638	1.9
242.02161	17.1
243.02675	2.3
245.00803	4.5
256.30118	1.3
270.01688	24.9
271.02255	5.1
285.04041	8.9
286.04166	1.2
298.01074	5.6
299.01929	7.8
313.03534	100.0
314.04135	21.6
328.05984	2.8
329.02615	2.2
329.06665	41.5
330.06946	2.2
356.44800	1.3
431.26791	11.6
449.27698	6.8
464.44785	1.3
476.09460	4.7
491.11902	48.8
491.28287	6.3
492.12286	7.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.1409
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01748	4.9
55.67270	2.5
57.98765	2.5
58.00470	4.3
59.01250	100.0
64.76408	2.7
69.03318	17.0
70.66395	3.0
70.66712	4.7
71.01253	88.7
72.99181	6.6
73.02812	10.7
81.03329	6.5
83.01244	3.8
84.36251	2.5
85.02838	22.3
87.00759	8.2
89.02312	88.3
92.28288	2.9
95.01267	6.5
97.02814	21.5
98.31464	2.6
99.00751	5.6
101.02330	60.4
107.01260	6.2
108.02052	4.4
113.02327	33.3
119.03389	42.0
123.00753	4.3
123.04469	2.9
125.02341	49.4
131.03386	14.0
135.00761	24.8
143.03368	8.3
149.04436	5.9
152.01059	5.6
153.01813	8.4
161.04472	13.2
167.03389	31.4
179.05577	16.3
221.06596	18.6
245.06599	3.9
263.07709	8.5
301.06982	2.8
323.09921	16.8
331.61502	2.6
431.22568	3.8
459.11484	12.6
460.11591	3.7
491.13464	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.1672
Annotation	Unknow
Peak:m/z	Relative Intensity
56.70839	1.1
58.00449	4.7
59.01251	34.8
69.52970	6.8
71.01247	18.6
72.99175	2.1
73.02814	4.0
73.52338	1.1
75.00697	1.2
83.01255	2.5
85.02808	5.1
87.00761	2.4
89.02308	11.6
95.01250	1.4
97.02831	2.4
99.00773	3.6
101.02322	16.2
111.00753	2.7
113.02341	6.7
119.03377	8.2
120.01144	2.7
122.05995	2.8
124.05183	1.2
124.07543	2.1
125.02342	4.5
131.03470	1.4
132.04465	1.5
146.05997	10.0
147.06786	1.4
148.07544	3.1
152.00941	1.3
152.07040	1.4
158.06038	2.6
159.02890	2.1
161.04466	5.5
165.04164	2.5
167.05789	2.1
174.05545	6.5
175.06276	4.2
176.07054	1.6
179.05649	4.8
188.07111	3.1
189.07825	1.8
191.05751	2.6
203.05756	2.1
204.06645	4.3
205.07135	1.1
207.05290	7.2
221.06677	6.5
235.04747	1.4
237.06380	1.6
241.09863	1.4
243.11432	1.3
255.11258	2.6
257.12903	1.6
263.07837	2.4
269.12979	1.6
271.14545	9.8
283.14459	3.2
297.12399	2.5
299.14026	9.3
300.14209	2.4
307.14664	1.5
309.12592	1.4
311.14255	1.8
313.15598	2.8
323.09900	2.4
325.12137	1.2
327.13422	4.1
327.80637	1.2
329.15082	7.6
343.12897	14.2
351.13925	1.3
355.12857	2.3
357.14459	4.3
371.12479	14.0
372.12952	2.0
373.14108	11.4
391.68851	1.3
393.14658	1.9
429.16418	1.3
431.22736	6.4
473.15469	2.1
491.16672	100.0
492.17035	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	491.1774
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	100.0
66.04720	21.1
67.65254	19.5
69.49794	18.2
71.01265	82.9
71.78572	17.3
84.38158	17.5
85.02843	26.5
89.02334	69.6
101.02342	55.5
113.02361	32.1
119.03433	27.6
149.05907	26.7
161.55840	19.6
179.05243	16.9
261.71518	20.2
264.85077	20.0
288.22733	25.9
329.12347	32.9
451.21884	21.3
491.17743	81.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.2133
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01754	3.0
57.03329	2.2
57.19455	0.5
58.00463	4.2
59.01250	100.0
59.98392	0.7
60.01596	1.8
66.35547	0.4
68.99686	0.5
69.03323	5.1
69.26964	0.9
69.27367	2.7
71.01253	86.6
72.01591	1.5
72.99184	5.5
73.02819	12.0
75.00755	0.8
81.03331	3.2
83.01260	6.6
85.02822	17.3
87.00755	6.5
87.75002	0.5
89.02317	77.9
90.02634	1.0
95.01261	5.3
96.60329	0.5
97.02830	9.4
99.00767	3.2
99.04387	1.8
101.02322	58.6
102.02639	1.8
111.00777	1.4
111.04395	0.5
113.02330	30.8
114.02642	0.8
119.03389	39.7
120.03732	1.0
123.00726	0.6
125.02336	32.8
126.02647	0.9
131.03410	8.0
135.01765	0.5
139.03922	2.7
140.00943	0.5
141.01849	2.7
143.03407	12.0
144.03723	0.6
145.04987	0.8
149.04433	3.4
159.02831	0.8
161.04460	12.0
167.03384	1.1
167.10689	50.3
168.11053	3.7
179.05536	18.5
180.05869	0.5
203.05542	0.6
221.06609	19.7
222.06868	1.4
245.06619	4.1
263.05469	0.5
263.07715	7.5
275.18036	0.5
278.15500	0.6
292.95895	0.5
305.17001	0.5
323.09839	18.0
324.10056	1.4
390.90506	0.5
491.27649	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.2502
Annotation	Unknow
Peak:m/z	Relative Intensity
50.71711	0.5
55.01747	0.5
57.34950	0.4
59.01252	100.0
60.01582	1.4
60.98081	0.5
61.98696	0.7
71.01256	7.3
72.99182	0.7
73.02818	2.4
75.00748	1.2
83.01254	0.9
85.02818	3.5
87.00780	1.0
89.02319	3.3
99.00774	1.0
101.02322	5.2
113.02332	3.1
119.03384	0.9
125.02339	1.0
127.13672	0.4
143.03476	0.8
146.01662	0.5
151.00278	0.7
155.10760	0.6
159.02879	0.6
161.04475	1.1
167.10677	2.2
179.05542	0.7
189.01920	0.7
198.03180	0.8
214.02614	2.6
227.03448	0.6
241.01395	2.5
242.02156	15.3
243.02623	1.6
245.00888	3.8
255.02863	1.0
263.77628	0.5
270.01694	22.1
271.02271	3.9
273.00443	0.6
283.02228	0.5
285.04062	7.8
286.04340	0.9
298.01199	5.1
299.01941	6.0
300.02585	0.6
310.29065	0.6
313.03540	73.2
314.04095	15.2
315.04562	0.8
322.60147	0.4
328.05862	1.6
329.06677	23.8
330.07141	3.5
362.95422	0.5
371.07422	0.6
371.20840	0.7
389.21729	0.5
431.26718	6.0
432.27014	1.0
448.19022	0.4
449.27649	3.1
461.07239	0.6
476.09625	7.0
477.09885	0.9
491.11957	39.7
491.27567	2.7
492.12268	6.8
511.50302	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.2502
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01754	0.3
55.82698	0.3
57.03311	0.3
59.01251	100.0
60.01585	1.5
61.98716	0.6
70.70757	0.4
70.71096	0.7
71.01257	3.8
72.99182	0.3
73.02851	0.7
75.00745	0.6
79.23276	0.3
85.02362	0.3
85.02857	1.0
87.00755	0.5
89.02314	2.3
93.03372	0.4
101.02319	2.8
102.01868	0.7
103.03910	0.4
113.02351	1.7
119.03403	0.7
121.62519	0.3
134.77679	0.3
153.09111	0.6
154.05000	0.5
161.02380	0.5
161.04517	1.0
162.05565	0.3
179.05605	1.0
193.05096	0.3
197.08185	0.4
242.02367	0.6
245.01009	0.3
269.17746	0.3
270.01834	1.0
313.03619	2.1
314.04309	0.5
329.07172	0.3
329.11850	0.5
329.16086	0.8
333.16913	0.3
389.21802	0.6
431.22736	1.9
432.23450	0.4
449.23666	0.4
491.12234	1.3
491.21759	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.2497
Annotation	Unknow
Peak:m/z	Relative Intensity
55.04563	0.5
57.03330	0.5
59.01249	100.0
60.01585	1.9
61.98698	1.6
67.44204	0.5
71.01247	5.9
71.53851	0.5
73.02824	2.4
75.00768	1.0
83.01267	1.1
85.02828	2.4
87.00767	0.8
89.02323	2.0
95.01299	0.6
95.12154	0.5
96.95896	1.6
101.02318	3.9
102.90682	0.5
113.02348	2.2
119.03391	1.3
123.04420	0.8
125.02367	0.6
131.00058	0.5
135.04420	0.5
135.38406	0.5
157.57405	0.6
161.04495	1.9
161.62097	0.5
167.10716	2.2
167.99414	0.6
179.05452	0.7
212.86732	0.4
222.00468	0.5
270.01840	2.1
271.02536	1.0
282.18326	0.5
285.04132	2.0
313.03595	0.8
329.06680	0.7
371.20313	0.6
389.21976	0.6
405.59988	0.7
431.22818	2.1
431.27405	1.4
447.22351	1.0
456.21844	0.9
491.11749	3.3
491.24414	1.0
492.12991	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.2503
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01754	0.9
57.03334	0.9
59.01252	100.0
60.01598	1.0
61.98711	1.7
71.01253	7.0
73.02819	3.7
75.00763	1.4
83.01280	1.2
85.02851	1.9
87.00761	1.9
89.02323	3.7
101.02325	5.8
107.44125	0.7
113.02347	2.8
119.03381	1.7
123.48674	0.7
130.08620	3.3
131.09013	1.5
143.03412	0.9
150.03120	0.7
161.04483	2.2
179.05685	1.2
179.08182	0.8
226.36284	0.7
269.14038	2.9
337.16263	1.7
401.21848	0.8
431.23325	4.0
449.24054	1.5
491.21213	1.3
492.24460	0.7
503.47842	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.2861
Annotation	Bu 2867TF
Peak:m/z	Relative Intensity
55.01745	0.7
57.03313	0.7
58.00460	1.1
59.01251	33.8
68.70551	0.4
70.02470	2.0
71.01254	15.5
72.99177	1.1
73.02819	2.1
74.57848	0.4
83.01254	2.1
85.02826	4.5
87.00724	0.6
89.02313	8.2
89.50560	0.5
95.01277	1.3
99.00757	0.7
99.08041	0.9
101.02322	9.1
111.36153	0.5
113.02332	4.8
113.99521	0.4
119.03399	2.5
125.09566	0.6
139.11151	0.5
163.11250	0.7
171.10173	1.3
181.06139	0.4
183.13771	1.1
193.12364	0.7
209.11787	0.5
211.13301	5.0
215.45241	0.5
229.14377	3.5
232.15280	0.5
273.61334	0.4
293.21207	7.7
294.21512	0.6
303.27795	0.5
311.22205	4.0
312.22589	0.8
329.23334	7.0
330.23755	1.0
345.89651	0.4
449.22449	0.6
449.27963	0.7
491.28610	100.0
492.28958	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	491.286
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03316	1.4
59.01255	16.4
61.98693	1.2
68.17218	1.0
71.01250	9.6
71.53527	1.1
73.02821	2.9
79.15480	1.1
79.57597	1.0
81.73557	1.0
85.02827	5.5
87.00786	1.1
88.37810	1.1
89.02303	2.0
96.95886	1.0
101.02332	3.8
113.02329	3.9
125.09663	0.9
126.10279	1.1
127.11178	3.3
129.09018	1.0
139.11215	1.2
146.05994	1.3
150.27423	1.1
155.08226	1.8
167.14291	1.3
171.10225	5.9
183.13904	1.7
185.72882	1.1
193.12422	1.1
209.11876	1.7
211.13354	13.7
212.13715	1.7
224.14102	2.3
229.14426	39.1
230.14725	2.3
253.75996	1.2
266.11890	3.4
293.21411	5.0
311.22342	3.6
313.23721	1.7
329.23367	17.5
330.23727	2.5
391.19763	2.3
443.31766	1.1
449.27905	1.4
491.28656	100.0
492.28961	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	493.0993
Annotation	Unknow
Peak:m/z	Relative Intensity
51.19358	0.7
51.71208	0.8
59.01251	5.6
59.71291	0.7
65.00197	2.0
70.55386	1.1
70.55723	1.5
71.01249	1.8
83.01246	1.1
86.58189	0.8
89.02314	2.0
90.31616	0.8
91.01759	0.7
95.01286	1.5
98.20179	1.3
101.02311	1.6
109.99968	2.6
111.00752	2.2
113.02359	1.1
123.00753	2.3
124.01484	1.3
125.02310	1.1
131.29338	0.7
134.63611	0.7
136.98759	1.0
139.00291	2.3
151.00291	4.2
152.01062	3.2
153.01831	1.7
159.04324	0.8
161.02330	1.3
163.00291	3.2
165.98970	2.5
166.99745	1.5
167.03522	0.8
171.04413	2.3
178.99765	2.4
187.03969	3.4
189.01871	1.2
193.98479	1.0
198.03186	1.2
199.04018	1.5
203.03407	2.3
209.64801	0.9
213.01849	1.6
214.02570	1.9
215.03456	7.1
216.04036	1.2
226.02728	1.1
227.03482	1.2
231.02957	3.6
241.01408	3.0
242.02126	4.6
243.02969	7.0
255.02917	1.2
257.04599	2.1
258.01712	5.5
259.02457	9.3
270.01703	7.4
271.02362	5.7
272.03287	3.9
273.04031	4.8
274.04987	1.5
285.04053	11.6
286.01175	5.8
286.04657	2.4
287.02029	36.1
287.05518	5.4
288.02545	2.0
288.05957	0.8
298.01108	2.5
299.02066	3.9
300.02582	1.5
301.03513	11.3
302.04315	13.5
303.04865	2.0
313.03598	5.6
314.04272	0.9
315.01495	7.6
316.02087	4.7
329.03156	1.4
330.03793	25.6
331.04529	16.6
332.04861	1.6
343.06760	1.1
493.09933	100.0
494.10245	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	493.099
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01255	4.5
61.98707	0.8
65.00198	1.2
67.59144	0.5
71.01250	2.7
71.24215	0.7
71.24832	0.5
75.75806	0.5
83.01254	0.7
85.02793	0.9
89.02303	1.5
95.01260	1.0
98.20095	0.7
101.02312	1.4
107.01276	1.0
109.02831	0.8
110.00017	1.2
111.00738	1.5
113.02335	0.8
123.00782	1.8
123.04401	1.1
136.98653	1.2
139.00244	1.9
149.02223	0.8
151.00249	3.1
152.01070	1.6
153.01810	0.9
159.04385	0.9
163.00266	1.9
165.98976	1.8
166.99757	1.1
171.04388	2.2
173.02414	0.6
178.99803	1.7
181.01256	0.7
187.03909	2.4
193.98630	0.6
198.03090	0.6
199.03873	1.1
201.01833	0.9
203.03416	1.1
213.01849	0.8
214.02637	1.0
215.03435	5.6
216.04066	0.9
231.02936	1.7
241.01338	1.4
242.02153	4.3
243.02902	5.6
244.03590	0.9
245.04437	1.2
257.04559	1.3
258.01669	4.9
259.02423	6.3
259.05066	0.7
259.06241	0.6
269.04410	0.6
270.01691	4.7
271.02414	5.0
272.03253	3.0
273.04059	3.8
274.04419	0.6
285.04083	7.9
286.01141	4.3
286.04614	1.7
287.01944	22.8
287.05539	6.8
288.02429	2.0
298.00974	1.6
299.01999	4.1
300.02634	0.7
301.03522	7.8
302.04288	11.0
303.04776	2.0
313.03500	6.1
314.03989	1.1
315.01505	5.9
315.04886	0.9
316.02234	3.5
329.03134	0.7
330.03748	24.2
331.04507	16.8
332.04907	1.8
343.06775	1.1
363.20349	1.0
400.31891	0.6
433.24420	1.2
449.10556	1.0
463.08884	0.6
465.10339	0.9
475.08646	1.3
493.09875	100.0
494.10242	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	493.1825
Annotation	Unknow
Peak:m/z	Relative Intensity
52.44133	0.5
55.01731	1.1
57.03294	1.1
59.01247	18.5
60.21058	0.5
61.98680	0.5
69.36434	3.6
69.36847	1.3
71.01252	10.3
72.17876	0.5
72.99162	1.0
73.02822	3.0
75.00701	0.9
76.41286	0.6
76.82778	0.6
83.01242	2.1
85.02822	5.2
85.99981	0.6
87.00713	0.7
89.02318	4.3
94.06470	2.6
95.01221	1.4
96.75895	0.6
97.02788	0.8
98.20512	1.0
99.00732	1.6
101.02319	8.1
106.06469	2.5
108.04408	0.8
108.43507	0.6
113.02334	3.3
118.06467	1.9
119.03347	0.9
122.05951	1.1
124.07597	4.2
134.03712	0.9
134.06001	4.2
136.07520	1.0
139.74896	0.5
148.27448	0.5
150.05461	1.5
152.07039	3.8
161.04430	1.3
162.05487	0.7
168.06577	1.7
178.05074	2.7
179.05582	0.7
180.06586	4.8
181.12206	1.2
183.36301	0.5
185.15170	0.5
193.05038	1.6
199.13336	3.4
199.14885	0.5
206.04541	0.8
224.05595	1.0
226.11021	0.8
243.11382	1.2
254.10544	1.8
258.13657	1.3
269.12918	5.8
285.13129	0.5
287.13901	2.0
288.12234	0.7
289.16071	0.6
303.13556	3.7
313.12091	0.8
325.00479	0.6
330.12299	1.4
331.12979	100.0
332.13330	13.0
343.17581	0.8
361.18655	10.7
362.19037	1.2
373.14017	0.7
444.37207	0.6
493.22992	57.4
494.23566	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	493.2207
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03321	1.0
59.01231	1.6
61.98688	1.2
71.53595	1.4
78.95777	11.5
110.98418	8.6
114.36819	1.1
117.64569	1.2
121.02848	2.1
122.03634	3.4
136.05168	2.0
164.08298	1.8
167.01022	2.5
167.14311	5.4
185.02133	7.1
191.23085	1.1
193.15865	3.0
207.17450	3.6
231.17505	2.2
233.15451	1.5
249.18559	33.8
250.18925	3.8
265.17841	1.2
275.16528	20.7
276.16833	3.1
281.21228	5.6
293.17581	71.0
294.17941	7.6
307.19095	3.6
325.20187	100.0
326.20514	11.7
403.85568	1.2
438.47516	1.3
493.22064	19.0
494.22354	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	493.2296
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01762	4.1
56.99691	0.4
57.03324	3.5
58.00467	3.9
59.01254	79.9
60.01590	1.0
61.98699	1.4
63.47759	0.3
68.99699	0.4
69.03323	1.5
71.01257	100.0
71.49162	0.8
72.01595	1.7
72.99184	6.1
73.02825	18.8
75.00760	1.6
81.03333	0.9
83.01263	8.0
84.02083	0.4
85.02827	29.1
85.99996	1.0
86.03180	0.7
87.00755	8.2
88.66234	0.4
89.02322	74.5
90.02675	1.2
91.90742	0.5
95.01263	6.3
97.02826	2.4
97.30499	0.4
98.20016	0.6
99.00760	6.3
99.04378	0.5
101.02328	71.4
102.02686	1.6
104.58405	0.5
106.14786	0.5
106.21180	0.3
107.03386	0.7
111.00799	1.4
111.08076	0.4
113.02337	39.1
114.02679	1.0
115.03924	0.4
117.01786	0.4
119.03397	32.6
120.03740	0.7
125.02335	5.2
129.01866	0.8
131.03412	8.4
132.03703	0.4
134.03696	0.5
139.00290	0.6
143.03407	11.4
149.04494	3.0
159.02896	3.1
161.04475	28.6
162.04845	1.2
165.01833	0.5
179.05540	47.9
180.04372	0.6
180.05792	2.0
193.05043	0.8
205.03450	0.7
221.06616	18.1
222.06949	0.7
245.06750	0.9
246.88577	0.4
263.07703	1.7
271.15430	0.5
323.09888	1.1
326.04449	0.4
330.03934	0.4
331.17621	11.0
331.21368	0.7
332.17944	1.2
364.02734	0.4
416.13297	0.4
433.24469	1.6
435.65866	0.5
493.22983	30.3
494.23260	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	493.229
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01760	3.4
57.03318	4.2
58.00471	4.6
59.01250	85.1
60.01594	1.2
61.98702	0.8
64.30488	0.6
65.84195	0.6
69.03335	1.9
70.94923	0.6
71.01254	100.0
71.53533	0.7
72.01598	1.7
72.99174	6.3
73.02820	18.4
75.00758	1.8
79.49797	0.6
81.03323	1.2
83.01257	9.0
83.04909	2.1
84.02048	0.8
85.02822	27.2
87.00739	8.5
87.04428	1.4
87.37174	0.6
89.02316	84.9
90.02643	1.3
95.01279	6.1
97.02823	3.0
99.00762	7.1
99.04385	2.0
101.02322	78.1
102.02647	2.6
111.00817	1.6
113.02330	40.1
114.02658	1.4
119.03389	37.0
120.03669	0.8
125.02328	7.5
129.01852	1.1
131.03401	8.7
137.09608	0.9
141.01910	0.9
143.03401	11.7
143.04486	0.5
149.04474	4.4
151.00313	1.1
151.11201	1.3
155.10670	3.7
159.02913	3.9
161.04466	29.7
162.04825	0.7
179.05533	53.3
180.05833	1.2
193.04794	0.8
199.09746	4.9
205.03427	0.8
221.04576	1.1
221.06619	19.5
222.06914	0.8
245.06462	1.0
258.62814	0.7
263.07611	1.4
301.03366	0.8
313.11807	1.4
323.09573	2.1
331.00916	1.4
331.17487	2.0
433.24515	3.4
451.32620	1.5
493.23087	18.6
494.22824	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.2296
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01256	100.0
59.84090	1.2
60.01606	1.2
60.29412	1.2
61.98701	7.6
63.31679	1.1
70.40205	2.8
70.40558	1.6
71.01260	11.9
73.02831	4.6
79.54645	1.1
83.01276	2.3
83.84340	1.2
85.02808	6.1
89.02336	2.3
95.01299	1.2
98.20174	2.3
101.02328	10.0
107.92542	1.1
113.02344	6.0
115.07527	1.2
119.03343	1.5
161.04520	3.0
295.17395	1.2
347.20621	2.6
373.22223	2.6
391.23721	1.6
433.23645	2.2
433.28653	2.6
449.23965	60.2
450.24185	8.7
451.85599	1.3
493.28610	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	493.2292
Annotation	Rhodioloside B
Peak:m/z	Relative Intensity
53.07350	0.5
55.01753	4.0
56.02086	0.4
57.03314	3.0
58.00469	3.8
59.01250	85.7
60.01574	1.1
69.03334	1.2
71.01252	100.0
72.01595	1.4
72.99175	5.4
73.02820	18.7
75.00764	1.0
81.03314	0.8
83.01260	8.5
85.02824	25.4
85.99952	0.5
86.03162	1.0
87.00760	7.6
89.02316	78.8
90.02624	1.2
95.01270	5.6
96.95827	0.5
97.02831	3.0
98.19917	2.5
98.20619	0.8
99.00756	6.1
99.04404	0.7
101.02322	78.9
102.02667	1.8
107.03404	1.0
111.00755	1.4
113.02330	38.6
114.02670	0.9
115.03865	0.6
119.03391	35.8
125.02335	5.9
129.01837	0.9
131.03398	9.4
134.03690	0.7
143.03404	12.4
149.04469	3.7
159.02846	3.4
161.04474	28.6
162.04756	0.9
165.01814	0.6
178.97577	0.6
179.05540	54.6
180.05870	2.0
193.04948	1.2
221.06624	20.1
221.08788	1.2
222.06941	1.1
222.65645	0.5
245.06566	0.9
263.07602	1.5
323.09924	0.9
331.17636	10.9
332.18011	0.8
433.24399	1.9
493.22891	31.4
494.23337	4.3
513.71362	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.2288
Annotation	Unknow
Peak:m/z	Relative Intensity
55.44680	2.7
57.03328	3.1
58.00484	2.9
59.01253	100.0
61.98714	4.2
71.01255	76.8
71.53545	2.6
71.53981	4.3
72.99186	8.9
73.02821	12.6
83.01267	7.4
85.02811	19.1
87.00751	5.9
89.02321	70.4
95.01275	8.2
97.02795	2.9
99.00719	4.1
101.02323	57.8
111.00753	3.7
113.02343	33.6
119.03390	34.4
119.04860	3.6
123.04409	2.8
125.02358	5.8
127.90391	2.8
131.03389	5.6
143.03394	9.9
149.04485	6.9
151.00288	6.6
161.04480	17.5
179.05531	20.1
209.85512	3.4
215.03403	3.5
221.06645	4.1
287.01938	4.9
291.52124	2.9
303.05069	3.8
313.03116	3.0
315.01624	3.6
330.03641	8.0
331.04532	4.1
331.17545	10.5
421.19696	3.8
433.23874	6.0
493.09790	20.7
493.22821	45.1
494.10266	3.7
494.23047	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	493.2293
Annotation	Ustiloxin D
Peak:m/z	Relative Intensity
55.01750	0.7
57.03311	1.7
58.00459	1.0
59.01252	30.4
59.82683	0.4
60.01572	0.5
61.98703	13.9
62.28647	0.4
65.89815	0.4
67.56056	0.5
69.03306	1.0
69.44386	3.3
70.18095	0.4
71.01254	26.6
72.01575	0.5
72.23480	0.4
72.99194	2.3
73.02814	5.7
75.00746	1.2
83.01262	2.8
83.07777	0.4
83.30943	0.4
85.02827	8.5
85.99989	0.6
87.00751	4.0
87.04372	0.5
89.02317	18.2
95.01261	1.3
97.02819	1.4
99.00758	1.9
101.02320	17.0
111.00742	1.2
113.02332	8.2
115.03891	0.5
119.03380	5.5
125.02323	1.3
129.01805	0.7
131.03380	5.5
134.03638	1.0
143.03395	2.2
149.04430	0.8
149.22620	0.4
153.66341	0.4
155.10713	1.1
161.04437	4.1
178.02629	0.7
179.05540	7.4
181.12288	1.0
191.05527	1.0
193.04984	1.8
199.13330	5.6
200.13741	0.8
221.06570	3.1
287.01944	0.5
330.03503	1.1
331.17612	1.3
343.17419	2.2
361.14209	0.6
361.18698	11.3
362.19028	1.1
425.98041	0.5
433.24139	1.0
475.21698	0.6
493.22861	100.0
494.23172	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	493.2292
Annotation	Ustiloxin D
Peak:m/z	Relative Intensity
52.94553	0.8
59.01254	19.7
60.42223	0.8
71.01256	12.7
71.53531	0.9
72.99200	1.7
73.02827	5.3
83.01266	2.1
85.02830	6.4
87.00732	1.9
89.02312	4.3
94.06498	2.2
95.01263	1.3
99.00764	2.5
101.02316	8.4
106.06508	2.3
113.02354	4.7
118.06518	1.4
119.03392	0.8
122.06012	0.9
124.07571	4.8
134.06004	3.8
134.50374	0.7
135.65234	0.8
136.07582	1.3
150.05585	2.0
152.05884	0.7
152.07021	4.0
158.46022	0.8
159.02910	0.8
161.04453	1.3
168.06567	1.9
178.04993	1.8
180.06644	4.5
181.12198	0.8
199.13351	4.2
201.51266	0.9
206.04578	1.3
241.13416	1.0
243.11273	1.3
254.10594	1.4
259.10791	1.2
269.12912	6.1
287.13818	1.4
302.09000	1.1
303.13544	4.4
313.12213	0.8
330.12177	1.6
331.12979	100.0
332.13245	11.8
343.17615	1.5
361.18674	14.7
362.18958	1.2
371.88904	0.9
373.14163	1.2
392.32416	0.8
458.28113	0.9
493.22992	75.3
494.23529	11.4
507.69635	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	494.216
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01241	1.3
60.47107	1.3
61.98699	6.7
65.93319	1.3
69.82789	7.6
74.02332	1.4
78.95775	48.4
83.14163	1.8
96.96845	5.7
118.01961	1.4
120.60874	1.4
139.51382	1.4
152.99487	100.0
153.99861	2.5
171.00496	4.0
194.77206	1.5
294.78076	1.4
431.21964	19.1
432.22247	2.6
467.29483	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.2451
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01750	4.9
57.03308	4.9
59.01253	44.4
61.98706	2.4
66.81876	1.3
69.03314	1.5
70.66434	1.6
70.66764	3.1
71.01255	100.0
72.01600	2.0
72.32161	1.2
72.99182	4.7
73.02812	26.6
74.03136	1.9
75.00738	3.6
83.01258	13.5
85.02824	37.9
87.00742	6.1
89.02313	32.3
90.02648	1.5
95.01288	6.4
97.02827	3.3
99.00764	10.4
101.02319	73.6
102.02686	1.5
113.02331	38.3
119.03395	12.4
124.91875	1.5
125.02312	4.8
131.03372	2.2
143.03407	5.7
159.02913	6.2
161.04465	42.6
162.04749	1.8
179.05576	8.4
205.03424	2.9
210.00400	1.3
221.06662	2.9
229.14261	1.4
245.06499	1.7
263.07724	1.8
277.07208	1.5
333.19162	37.9
334.19464	3.0
361.13937	1.4
385.31433	1.3
414.10605	2.2
414.60858	1.9
466.93411	1.4
495.24490	69.9
495.30811	3.2
496.24863	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	495.2599
Annotation	Melissoidesin D
Peak:m/z	Relative Intensity
51.49353	0.6
57.03316	1.1
58.00480	0.7
59.01251	100.0
59.29555	0.7
60.01602	1.0
61.98710	2.1
65.56013	0.6
69.03336	0.6
71.01254	27.2
72.99187	1.9
73.02818	12.1
78.95792	1.3
83.01244	4.7
85.02824	7.4
87.00755	2.1
89.02316	11.2
95.01265	1.6
95.69647	0.6
97.02827	0.8
99.00764	0.9
101.02311	13.8
101.02905	1.0
113.02327	17.0
113.03059	1.3
119.03372	3.7
125.02372	1.4
131.03432	0.8
136.05197	1.6
143.03424	1.8
149.04564	1.2
149.05972	1.8
151.07541	7.9
152.08334	18.3
152.99486	2.7
153.08708	1.4
161.04489	3.7
165.09164	1.9
165.31860	0.6
179.05527	1.0
203.10648	4.4
217.12344	3.0
218.12964	1.3
231.13947	0.7
273.18549	3.4
275.16507	0.7
291.19653	4.9
298.28091	0.8
301.16766	0.8
333.20795	0.8
417.22699	4.2
420.21674	1.4
435.23837	58.5
436.24146	9.4
453.24881	21.1
454.25021	4.0
495.25809	13.0
496.26495	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	495.26
Annotation	Melissoidesin D
Peak:m/z	Relative Intensity
54.11042	0.5
55.01771	0.8
57.03310	0.9
58.00481	1.0
59.01249	100.0
60.01584	1.3
69.21738	3.9
71.01254	30.4
72.01621	0.6
72.99183	1.6
73.02817	21.1
78.95775	3.5
83.01253	6.4
85.02822	6.9
87.00739	1.7
89.02319	13.1
89.02834	1.0
95.01276	2.1
99.00752	1.7
99.04382	0.5
101.02319	24.4
102.02630	0.7
108.68523	0.4
113.02323	15.4
114.02677	0.5
119.03400	4.8
125.02328	1.3
125.05923	0.4
131.03403	1.8
136.05188	2.2
143.03397	2.2
149.04486	1.2
149.05988	1.9
149.77596	0.5
151.07545	9.2
152.08339	13.5
152.99524	3.3
153.08662	0.8
155.03505	0.7
157.57512	0.5
161.04471	3.8
165.09116	2.5
165.10345	0.5
170.05693	0.6
179.05513	2.3
196.07211	0.5
203.05649	0.6
203.10745	4.1
215.10689	0.6
217.12326	3.0
218.13112	2.5
218.33676	0.5
231.14055	0.6
273.18600	4.8
284.35248	0.5
291.19702	4.6
291.22726	0.6
301.16583	0.9
333.20624	1.2
361.69086	0.5
409.50104	0.5
417.22778	2.1
420.21420	0.9
435.23856	26.4
436.24127	5.0
453.24936	23.0
454.25363	2.8
462.32962	0.5
477.24823	0.9
495.25949	29.1
496.26282	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	497.1664
Annotation	Unknow
Peak:m/z	Relative Intensity
55.72893	0.6
57.03311	0.9
58.46120	0.6
59.01250	22.2
61.98695	1.7
65.32059	0.6
66.44423	0.6
69.03304	1.1
71.01248	4.3
71.04915	0.6
71.46611	0.5
71.53385	0.6
72.92790	0.6
72.99158	0.9
73.02812	2.5
75.00726	0.7
81.03323	1.2
85.02840	4.3
87.00763	0.6
87.04372	2.9
89.02307	1.2
92.10278	0.6
95.01257	3.3
97.02837	0.8
97.50544	0.7
101.02314	2.8
108.02054	45.8
109.02851	25.6
110.03178	1.1
113.02315	1.8
123.00758	1.8
123.04385	0.7
135.08000	1.0
136.05241	0.9
137.09613	4.4
139.07523	0.9
152.01064	59.1
153.01857	24.4
154.02257	1.1
155.10687	20.1
156.10999	1.1
163.03886	0.8
165.09074	0.6
179.10612	0.9
181.08553	1.5
191.10739	0.9
195.10229	1.4
199.09689	5.3
211.28610	0.6
213.11234	0.8
241.10817	1.5
283.11859	1.2
284.90433	0.6
335.21014	1.0
350.24216	0.6
427.12933	0.8
431.73187	0.6
453.17563	6.0
474.77112	0.6
497.16638	100.0
498.17026	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	497.2398
Annotation	Unknow
Peak:m/z	Relative Intensity
50.08168	0.7
57.00717	0.6
59.01257	100.0
60.01598	1.3
61.26392	0.6
61.98709	3.3
71.01260	3.8
71.53693	0.7
72.00890	0.7
73.02849	1.2
85.02824	1.6
89.02337	2.0
95.93430	0.7
96.95902	0.8
101.02356	2.4
113.02303	1.7
113.41376	0.7
144.39249	0.7
161.04433	1.0
162.05551	0.9
193.05084	0.8
352.54861	0.7
403.58759	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	498.183
Annotation	Unknow
Peak:m/z	Relative Intensity
54.65314	2.0
57.27790	2.0
58.00502	2.8
59.01251	100.0
59.21771	2.4
61.98703	95.9
70.86781	6.0
71.01247	24.2
73.02814	11.7
83.01263	4.5
85.02812	4.5
89.02315	11.4
99.00781	3.5
101.02311	16.3
113.02352	7.2
117.72651	2.6
119.03412	4.4
134.03674	4.0
161.04448	5.1
169.51933	2.4
187.13292	3.7
193.04977	3.0
331.17563	9.9
349.18689	22.8
391.15115	3.3
391.19635	16.1
393.14734	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	499.2548
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	100.0
60.01609	0.8
61.98697	1.1
67.66258	0.5
71.01253	4.7
71.45756	0.8
72.99202	0.6
73.02826	1.6
80.98462	0.6
83.01291	0.7
85.02824	1.1
89.02325	2.1
101.02327	2.2
113.02352	2.4
119.03403	0.7
120.82754	0.5
125.02284	0.7
133.02853	0.7
134.03621	6.3
135.04404	1.0
136.05209	2.4
147.04466	0.8
149.05988	1.9
160.01576	2.9
165.09132	4.9
171.10236	1.4
175.03932	4.0
176.04716	3.1
177.01895	1.0
178.02615	0.9
191.07031	4.6
193.04999	7.2
207.06654	2.1
220.03596	0.7
235.06087	10.4
236.06422	1.4
248.67462	0.6
265.07242	1.7
295.08331	2.4
296.08606	0.6
307.73254	0.7
319.19342	0.7
323.13574	1.1
337.20251	4.7
338.20648	0.6
355.10440	0.7
397.11777	0.6
426.22223	0.5
439.23425	0.7
499.18408	4.8
499.25674	4.1
500.26279	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.2552
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01257	3.6
61.98705	2.8
69.19112	1.1
69.87652	6.4
71.01258	100.0
72.01574	1.4
72.99187	15.9
87.00744	1.6
98.20463	1.6
98.42126	1.8
114.48038	1.3
115.00273	26.0
133.01324	9.7
170.75180	1.3
195.13899	1.5
199.92731	1.4
202.79073	1.3
247.20567	2.3
291.19687	22.5
292.20135	2.2
309.20688	51.7
310.21017	5.3
345.30325	1.4
383.24268	18.6
384.24716	3.3
461.56766	1.6
481.24460	5.3
499.25684	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.255
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	100.0
60.01584	1.3
65.97541	0.3
71.01254	1.5
71.53187	0.5
73.02834	0.9
85.02821	0.9
85.99073	0.3
87.00763	0.4
89.02332	0.9
101.02337	1.2
111.00748	0.4
113.02374	1.0
119.03441	0.5
123.99825	0.3
161.04510	0.7
193.05028	0.5
320.15198	0.3
363.34201	0.3
453.84006	0.3
499.18729	0.3
499.29779	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.3278
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	100.0
63.55818	1.3
64.14422	1.1
69.36135	2.4
69.36535	6.7
91.03843	2.5
110.57248	1.1
116.07253	1.3
129.57610	1.2
148.99783	1.1
162.57545	1.1
222.94179	1.3
300.25607	1.3
357.36075	1.1
365.26947	9.8
366.27335	1.5
367.36298	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.2343
Annotation	Unknow
Peak:m/z	Relative Intensity
56.80267	0.3
57.03323	2.4
59.01251	53.4
60.01590	1.2
67.01762	1.9
67.24114	0.3
69.21062	0.8
69.21468	2.4
71.01260	1.5
73.02821	0.5
83.01265	0.6
85.02832	1.6
87.00755	8.9
88.01155	0.3
89.02331	0.7
98.20596	0.5
101.02334	1.0
103.60244	0.3
111.00765	100.0
112.01092	3.3
113.02300	1.4
129.01849	0.6
154.99825	0.5
156.01277	0.3
162.68001	0.3
171.10179	0.4
173.00835	8.7
234.74628	0.3
242.16245	0.3
290.86060	0.3
327.21768	0.7
399.23944	0.4
432.05621	0.3
463.58810	0.3
501.23163	2.5
501.30569	1.4
502.23752	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.234
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03307	2.0
59.01249	71.5
60.01587	1.1
61.98706	1.1
67.01758	2.4
69.81692	2.8
71.01238	2.4
73.02834	0.7
85.02822	2.4
87.00751	8.9
89.02309	0.8
98.19899	1.2
98.20504	1.1
99.92464	1.0
101.02319	1.6
111.00761	100.0
112.01115	3.0
113.02321	2.6
115.91974	1.8
116.92749	7.4
117.92718	0.9
118.53968	0.5
126.69428	0.5
138.47330	0.5
146.01833	0.5
173.00812	9.8
174.01154	0.7
212.08559	0.6
327.21652	0.9
375.55798	0.6
383.39197	0.7
501.23544	2.9
501.29495	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.2706
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	100.0
60.01595	1.1
70.81667	1.3
71.01259	2.0
73.02856	0.6
85.02876	0.7
89.02338	0.9
94.03808	0.6
101.02359	1.0
111.00797	1.7
113.02385	1.1
116.92809	0.6
118.55631	0.6
119.57566	0.5
120.76968	0.5
127.01141	0.5
151.35638	0.6
161.77853	0.5
167.73395	0.5
175.56390	0.5
381.22897	1.2
399.24039	0.8
400.24307	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.2709
Annotation	Unknow
Peak:m/z	Relative Intensity
52.11740	0.3
57.03322	0.5
59.01252	100.0
60.01585	1.1
61.01675	0.3
67.67194	0.4
70.28035	1.2
71.01250	3.7
73.02838	0.7
77.13616	0.3
78.90041	0.3
81.64554	0.3
83.01267	0.5
85.02820	1.6
85.86589	0.3
87.02293	0.3
89.02309	2.7
99.00751	0.6
101.02330	2.1
101.30233	0.3
113.02342	1.9
119.03458	0.4
131.03329	0.3
149.04485	1.2
161.04462	0.6
175.02513	0.4
200.99562	0.4
218.97495	0.3
279.78403	0.3
394.28519	0.3
501.30817	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	501.2707
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	100.0
60.01582	0.9
60.35119	0.3
71.01246	1.2
73.02819	0.3
83.01280	0.3
85.02811	0.5
89.02328	0.7
101.02328	0.9
101.68232	0.3
111.00785	1.6
113.02338	0.5
120.76373	0.3
139.34831	0.3
161.04475	0.4
173.00911	0.3
204.57388	0.2
291.17047	0.3
348.12808	0.3
390.75192	0.3
399.23877	0.6
441.25040	0.9
465.88092	0.3
501.23569	0.7
501.31146	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.2705
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03318	2.7
59.01249	86.4
60.01593	0.8
67.01772	2.4
71.01244	1.7
71.40531	0.5
85.02828	1.3
87.00751	10.7
89.02307	0.7
101.02311	1.7
104.26987	0.4
107.75400	0.4
111.00761	100.0
111.93246	0.4
112.01083	3.0
113.02290	0.8
154.99692	0.6
155.47241	0.5
171.10168	0.6
173.00813	9.1
174.01120	0.5
304.66504	0.5
327.21707	0.9
395.86050	0.5
396.74640	0.5
399.23642	0.7
501.23450	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	502.2658
Annotation	Unknow
Peak:m/z	Relative Intensity
56.47016	1.4
59.01270	1.8
61.98704	100.0
69.21815	14.2
83.32807	1.4
102.30103	1.5
121.02829	1.5
129.39383	1.5
131.40750	1.5
134.28122	1.3
138.22595	1.3
206.24681	1.4
208.46948	1.4
305.24866	2.6
363.46185	1.5
502.35452	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	502.2659
Annotation	Unknow
Peak:m/z	Relative Intensity
59.65468	1.0
61.98703	100.0
66.32279	0.9
66.67297	0.8
69.26191	0.9
70.22336	0.8
78.75922	0.9
97.65102	1.0
102.99281	1.0
152.99428	1.1
189.02441	0.8
244.08452	1.0
356.60129	0.9
494.06848	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	502.2937
Annotation	Unknow
Peak:m/z	Relative Intensity
53.71550	0.1
54.07945	0.1
54.72527	0.1
56.31318	0.1
59.01257	1.0
63.15476	0.1
71.01258	0.4
71.52813	0.1
78.95774	7.3
83.04922	0.1
96.96874	0.1
107.98170	0.1
127.07591	0.2
152.99498	0.7
168.04228	2.0
175.82866	0.1
205.19498	0.3
224.06909	1.3
225.72745	0.1
233.22690	0.2
242.07982	3.1
243.08313	0.1
259.20728	0.4
275.20059	0.3
277.21707	100.0
278.22052	11.7
502.29358	5.7
503.29794	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.2136
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01753	2.6
57.01992	2.8
57.03313	5.0
57.48859	2.4
58.00494	2.6
59.01252	100.0
59.14936	1.9
59.84607	2.3
62.23973	2.2
62.76860	2.1
63.48183	2.0
67.69063	2.2
71.00890	4.8
71.01257	58.2
72.99187	3.1
73.02819	18.4
83.01257	11.0
85.02822	28.1
87.00757	6.0
89.02326	24.9
95.01296	2.7
98.20561	6.0
99.00778	8.1
101.02326	44.0
110.18169	2.8
111.00761	3.2
113.02329	21.6
119.03432	2.5
120.32385	2.5
125.02280	3.6
125.68226	2.1
131.03384	11.5
133.02777	3.0
143.03383	2.9
147.98257	2.6
149.04454	8.1
161.04460	13.7
181.94240	2.2
284.02988	2.5
293.08722	3.5
311.15039	28.3
399.23944	3.8
443.19159	81.3
444.19495	7.5
503.26102	4.0
503.32306	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	503.2495
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01768	3.8
57.03318	3.7
59.01252	100.0
60.01590	2.2
69.03340	2.7
69.29824	2.3
69.80678	2.3
70.55450	7.1
70.78753	2.1
71.01251	60.8
72.99200	3.9
73.02827	15.7
75.00744	2.8
83.01253	7.3
85.02821	24.7
87.00756	4.3
89.02320	28.6
95.01266	4.0
99.00751	7.2
101.02313	47.9
102.90098	2.2
111.00784	6.4
113.02327	19.1
118.76369	2.4
119.03347	2.5
125.02354	4.4
131.03415	13.1
135.40039	2.2
136.40289	2.1
143.03445	4.2
149.04489	5.6
159.02913	2.6
161.04478	13.7
293.08752	3.8
311.15039	27.9
312.15063	4.7
346.34238	2.5
399.23883	3.9
443.19128	85.4
444.19675	15.3
503.24933	7.2
503.32190	9.2
504.32755	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.2862
Annotation	Unknow
Peak:m/z	Relative Intensity
51.32052	0.6
59.01248	100.0
60.01583	1.8
71.01254	5.1
71.33431	1.2
73.02819	1.3
75.71196	0.6
81.03294	0.6
85.02840	2.1
87.00769	0.8
89.02338	2.5
99.00793	0.8
99.88444	0.6
101.02338	2.7
111.00767	1.1
113.02341	2.1
116.05562	0.7
119.03420	0.8
125.02364	2.0
161.04500	0.8
167.10680	9.6
283.02646	1.2
284.03406	1.9
299.05560	3.6
303.61252	0.7
361.81741	0.7
461.23972	1.7
487.67145	0.9
503.12173	1.4
503.25128	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	504.3098
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01240	0.5
71.01224	0.1
71.53751	0.1
78.95774	6.5
96.96843	0.1
99.00826	0.1
152.99486	1.4
156.00591	0.1
165.64801	0.1
168.04225	1.8
169.04568	0.1
171.00519	0.1
187.32861	0.1
198.81471	0.1
224.06886	1.0
226.63748	0.1
227.03212	0.1
242.07947	3.0
243.08224	0.2
261.22247	0.5
277.21725	4.2
279.23273	100.0
280.23608	12.1
322.01703	0.1
365.62390	0.1
469.83603	0.1
504.30963	6.5
505.25558	1.1
505.31546	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.1142
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01245	1.7
64.69907	0.4
71.08687	0.7
75.29514	0.4
93.03366	0.4
121.02844	100.0
122.03195	4.3
145.61363	0.5
181.06522	3.8
183.66945	0.4
197.06027	2.6
207.04529	0.9
225.05440	2.3
240.76276	0.4
251.06960	0.5
257.09793	1.2
285.09027	0.4
313.07162	5.8
314.07813	0.7
357.06247	1.4
373.10693	0.6
383.07645	1.0
389.10355	0.7
417.09775	10.3
418.10275	1.1
421.34265	0.4
505.11398	8.4
506.11523	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.1355
Annotation	Dracunculifoside C
Peak:m/z	Relative Intensity
50.34725	1.3
51.67495	1.3
52.97770	1.2
57.03301	1.7
59.01250	36.4
69.52546	9.2
71.01254	14.5
72.99172	2.4
73.02809	4.6
75.00736	5.3
83.01263	3.3
85.02830	5.8
87.00774	1.7
89.02301	6.9
93.03267	1.4
95.04877	2.8
98.20107	5.4
99.00734	1.7
101.02319	9.6
108.02082	1.5
111.00747	3.7
113.02324	5.8
115.03864	2.3
117.03313	1.9
119.03365	4.2
119.04888	2.7
121.02847	81.9
122.03161	2.5
123.04405	46.4
124.04739	2.2
132.02048	16.3
133.02859	15.2
134.03642	37.4
135.04440	13.4
138.87244	1.6
147.04425	4.7
148.05208	1.9
149.02332	12.9
149.05939	5.7
151.65996	1.4
160.01570	78.5
161.02359	46.6
161.04424	2.5
162.02780	2.8
162.12639	1.3
167.03360	6.0
172.83131	1.5
175.03931	87.4
176.04636	11.4
177.01891	2.5
177.05479	2.1
178.02724	1.4
179.03421	6.1
179.05560	2.9
191.07053	9.2
192.04195	2.0
193.03323	2.1
193.04982	26.0
194.05273	2.3
203.03340	1.5
207.06551	3.8
207.27763	1.4
217.04984	1.9
221.04503	2.6
235.06076	10.5
239.07066	9.5
240.07825	11.3
255.10272	14.8
256.10464	1.6
295.08298	1.4
323.07663	34.1
324.08020	2.6
328.50568	1.4
329.08847	1.8
337.09290	39.0
338.09521	2.8
445.11523	3.4
461.14523	16.8
462.15048	2.6
473.11084	2.9
505.13519	100.0
505.25546	19.1
506.13736	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	505.1566
Annotation	Unknow
Peak:m/z	Relative Intensity
52.96933	3.2
57.51376	3.4
58.07452	3.5
59.01258	28.8
61.98709	6.0
63.60495	3.4
70.88319	6.8
71.01251	22.5
72.99183	3.6
77.51709	3.4
79.08178	4.2
85.02833	8.1
89.02294	21.5
92.39262	3.5
98.14523	4.4
101.02326	22.1
111.36151	3.8
113.02337	10.1
119.03403	15.5
121.02854	100.0
124.04943	3.8
125.02332	13.7
143.03438	6.1
153.26556	3.9
161.04405	5.4
179.05544	14.0
221.06587	9.6
290.11905	4.1
317.05386	6.2
323.09845	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	505.2053
Annotation	Unknow
Peak:m/z	Relative Intensity
56.19825	0.7
57.03322	2.0
57.55867	0.8
59.01252	5.2
66.56055	0.7
67.01747	2.2
71.20570	0.9
72.89660	0.7
78.44470	0.8
78.95768	0.7
85.02822	3.4
85.71525	0.6
86.96853	2.4
87.00748	30.4
97.02792	3.2
111.00762	100.0
112.01107	2.4
112.98676	2.6
115.45066	0.7
127.00001	3.1
129.01816	0.8
132.67268	0.8
140.48984	0.9
151.00044	2.9
154.99756	1.3
169.01071	1.5
170.99051	1.0
172.99382	1.1
173.00813	10.4
175.02679	1.1
187.89052	0.8
191.01884	3.0
204.91870	1.0
213.00133	3.4
261.11038	5.2
262.11819	13.9
291.19403	1.1
294.10754	1.4
313.17892	5.6
320.54370	0.9
331.15302	1.2
331.18912	16.0
332.19366	1.9
373.19962	1.5
401.18164	1.2
447.13223	1.9
505.20660	12.0
506.20999	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.2576
Annotation	Amoritin
Peak:m/z	Relative Intensity
59.01241	4.0
67.44902	0.8
71.43198	1.4
74.63129	1.0
78.95782	29.2
86.86915	0.8
89.77176	0.9
96.12540	0.9
96.96851	3.3
152.99500	42.3
153.00737	2.3
161.04112	0.9
171.00554	2.5
211.81709	0.8
227.03198	7.5
245.04358	1.7
277.21744	100.0
278.22073	10.5
280.23859	0.9
374.03033	0.9
505.25760	65.0
506.26184	9.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.2572
Annotation	Unknow
Peak:m/z	Relative Intensity
51.70970	0.3
59.01251	1.7
69.90047	1.5
71.01231	0.4
78.95776	11.9
96.96873	0.8
152.99487	17.6
168.10927	0.3
171.00597	2.0
218.55415	0.3
227.03239	2.5
233.22720	0.4
245.02153	0.4
245.04208	2.0
277.21729	100.0
278.19046	0.6
278.22079	11.0
279.20239	0.4
279.23288	1.4
280.23611	1.9
312.56860	0.4
505.25705	27.7
506.26071	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	505.2808
Annotation	Mucronine A
Peak:m/z	Relative Intensity
59.01245	3.3
65.58884	0.8
69.51048	1.6
69.51463	2.4
77.06458	0.7
85.35168	0.8
87.79480	0.7
98.19753	0.9
110.22775	0.7
112.03247	0.7
117.03349	25.7
118.03641	0.9
119.04054	1.5
119.04918	31.5
120.05254	1.4
121.02803	3.7
133.02847	1.1
145.02855	100.0
146.03180	6.4
162.03018	0.9
163.03914	25.9
164.04242	1.4
177.41452	0.8
230.70235	0.8
267.19708	1.9
285.20734	7.9
290.28778	0.8
331.22650	0.8
347.73294	0.8
413.23352	15.1
414.23630	1.9
431.24347	17.5
432.24722	2.3
505.28079	66.1
506.28372	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	505.3016
Annotation	Unknow
Peak:m/z	Relative Intensity
52.09727	1.4
59.01255	14.3
61.79641	1.8
67.01720	2.3
68.99676	2.5
69.23357	15.0
71.01252	16.1
72.99166	4.0
75.00746	17.4
78.95778	2.6
80.63460	1.5
85.02811	16.2
85.67200	1.9
87.00754	7.1
89.02318	3.3
95.01269	3.8
99.00777	11.3
103.00249	2.3
113.02333	26.5
117.01800	3.9
123.85326	1.7
141.81122	1.8
152.99451	3.7
160.84619	1.9
175.02402	4.1
227.03275	1.9
243.80025	1.8
249.06129	18.0
255.23267	100.0
256.23654	11.5
267.07053	2.4
351.12012	1.9
383.85614	1.7
487.29099	3.8
505.30197	90.3
506.30460	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	505.3017
Annotation	Ile-Leu-Val-Tyr
Peak:m/z	Relative Intensity
57.03314	2.3
59.01248	13.7
61.87645	0.7
67.01768	1.0
70.78011	1.7
71.01254	18.9
72.33562	0.7
72.99186	4.9
73.02814	1.3
75.00743	15.1
77.97893	0.8
83.01259	1.3
83.31403	0.8
85.02819	19.3
86.03136	0.7
87.00751	5.7
89.02326	4.2
95.01260	5.2
99.00761	10.1
103.00240	3.0
113.02330	29.4
115.00243	1.5
117.01826	2.8
129.01797	1.7
171.62602	0.8
175.02382	3.8
205.07144	2.0
223.08238	1.3
249.06166	6.6
255.23279	77.3
256.23630	7.5
267.07260	6.7
293.66107	0.8
315.28156	0.8
487.29147	2.9
505.30176	100.0
506.30511	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	507.2083
Annotation	Unknow
Peak:m/z	Relative Intensity
53.45931	1.8
55.01765	2.5
58.00459	5.1
59.01252	100.0
60.01587	1.7
61.98706	3.7
68.62180	1.5
68.81612	1.5
69.03356	2.0
69.19846	8.2
69.20260	6.8
69.77784	1.5
71.01255	79.2
72.99189	3.7
73.02824	23.7
75.00750	3.1
81.50089	2.0
83.01254	2.7
85.02828	12.4
87.00735	5.0
88.98690	2.6
89.02319	82.4
95.04897	3.1
97.02874	1.7
98.08646	1.8
99.00751	26.4
101.02325	48.1
103.47828	1.7
107.04905	6.3
111.00760	2.6
113.02321	13.7
115.07542	4.1
118.25868	1.7
119.03384	5.6
123.04427	2.2
125.02328	4.8
125.09602	1.8
128.81662	1.6
129.01875	2.4
131.03400	26.4
139.11162	2.4
143.03371	2.9
149.04466	58.4
149.09607	2.1
150.04860	1.9
151.11186	40.6
152.11540	2.1
161.04448	3.5
165.99008	3.3
169.12274	3.2
177.09189	2.5
191.05556	21.4
193.12184	2.6
195.10202	62.1
196.10544	6.1
202.02638	4.7
213.11263	15.0
230.02292	2.6
251.07640	3.1
258.01624	5.6
285.20587	2.9
286.01196	16.4
287.01868	6.2
301.03543	21.2
302.03903	2.9
303.12262	2.5
303.21655	2.8
311.09839	1.9
329.03000	15.0
330.03415	2.2
331.04770	2.9
344.05353	5.4
345.06229	10.4
345.10367	2.1
447.25842	4.9
465.26868	3.3
489.27515	2.8
507.11432	34.0
507.20667	11.4
507.27859	52.1
508.11841	6.6
508.21130	2.7
508.27927	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	507.2085
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01755	2.3
57.03311	2.7
58.00474	2.5
58.90487	1.1
59.01252	49.0
61.98691	1.2
70.44769	2.7
71.01257	48.6
72.99181	3.4
73.02821	13.8
75.00744	3.3
77.95725	1.0
83.01257	5.8
85.02821	17.5
87.00753	5.5
88.98719	1.9
89.02322	22.8
95.01260	3.6
99.00788	5.3
99.01335	1.1
101.02328	31.6
102.02682	1.1
111.00728	1.2
113.02328	18.6
119.03392	10.5
121.02873	1.9
121.48389	1.1
125.02321	3.0
131.03413	2.3
134.03612	3.0
143.03413	3.4
159.02965	2.4
161.04477	10.4
163.04070	1.1
178.02617	2.2
179.05557	6.9
180.04214	1.4
183.10173	1.4
193.05008	2.9
195.06586	1.6
208.03560	1.3
221.06587	6.6
225.07634	1.9
225.11346	1.6
257.12906	1.3
267.23492	1.5
283.11322	1.5
301.16595	2.7
327.09326	1.5
337.81656	1.0
345.10956	2.1
371.11670	1.1
383.70667	1.3
447.26556	2.0
463.21851	1.7
507.20923	100.0
508.21307	18.1
508.28394	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.2448
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01762	2.9
55.53267	2.5
57.03309	2.5
59.00955	2.6
59.01252	48.9
70.91301	5.4
71.01252	83.1
72.99163	2.5
73.02813	21.8
83.01258	9.3
85.02821	28.2
87.00735	3.0
89.02312	15.6
95.01275	5.9
96.41618	1.9
97.02815	5.0
99.00773	13.5
101.02334	43.4
113.02330	36.2
125.02406	2.9
125.47942	1.8
131.03400	2.7
143.03433	6.0
159.02884	5.8
161.04460	54.2
162.04787	2.4
211.13304	6.8
308.46463	3.3
315.18130	100.0
316.18445	11.5
340.96454	2.4
447.22339	69.0
448.22894	7.1
473.69559	2.2
507.33966	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	507.2443
Annotation	Unknow
Peak:m/z	Relative Intensity
54.09229	2.5
55.01743	3.5
57.03316	3.6
59.01254	44.2
61.98703	26.3
67.62202	2.6
70.44373	3.2
70.44705	5.5
71.01254	57.1
73.02816	20.6
75.00757	4.1
83.01252	7.8
83.48978	2.6
85.02825	22.0
89.02336	18.2
90.62724	2.8
92.67111	2.8
95.01292	3.3
96.42310	2.6
98.20145	5.2
99.00751	13.2
101.02320	35.0
111.00719	2.9
113.02319	22.7
119.03401	2.9
125.02313	4.6
149.04501	2.5
159.02925	3.6
161.04477	17.6
168.65167	2.7
205.03458	2.9
213.05536	3.0
227.19704	2.6
303.84354	2.7
315.18130	15.2
317.56097	2.5
319.22552	2.8
402.26328	2.9
447.22296	100.0
448.22552	17.4
495.33173	2.6
507.27805	6.1
520.99017	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	507.2725
Annotation	Unknow
Peak:m/z	Relative Intensity
57.40012	0.4
59.01251	0.8
70.56005	1.3
78.95776	10.4
85.58125	0.4
96.96848	1.2
128.78070	0.4
129.87541	0.4
152.99496	17.0
153.00739	0.8
166.96951	0.5
171.00554	1.9
227.03198	2.3
245.04218	1.7
261.22305	0.4
279.23279	100.0
280.23642	11.4
280.26730	0.6
281.41202	0.4
282.25229	1.0
336.95120	0.5
507.27213	25.8
508.27560	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	507.2811
Annotation	Foliasalacioside H
Peak:m/z	Relative Intensity
51.24435	0.5
55.01760	1.1
57.03329	1.3
58.00460	0.8
58.68861	0.5
59.01252	67.0
60.01585	0.9
61.98696	0.9
70.49980	0.4
71.01259	20.7
71.01672	0.7
72.01586	0.5
72.99193	1.5
73.02827	2.1
79.87420	0.5
82.19041	0.5
83.01248	3.5
85.02825	6.6
87.00761	2.2
89.02317	13.0
95.01286	1.8
99.00762	1.2
101.02320	14.8
113.02335	7.5
119.03389	6.2
128.04929	0.5
131.03387	0.7
131.43330	0.5
143.03459	0.7
143.47116	0.5
143.72958	0.5
149.04482	0.8
154.17775	0.5
161.04491	1.6
165.12831	0.7
167.10684	0.8
179.05589	1.1
285.20706	0.9
375.20236	1.3
405.25125	0.5
447.26083	2.2
465.26694	1.3
489.27036	6.3
507.28107	100.0
508.28424	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	507.2812
Annotation	glas#20
Peak:m/z	Relative Intensity
57.03313	3.0
58.00468	0.9
59.01253	38.1
59.78042	0.8
60.01583	1.0
61.98696	2.1
69.23796	7.2
71.01256	20.9
71.04900	1.3
72.99174	4.3
73.02827	3.3
75.00730	1.8
83.01230	2.0
83.04877	1.3
84.43082	0.8
85.02841	6.5
85.06422	3.8
85.89075	0.7
87.00728	2.0
89.02320	11.1
90.69221	0.9
95.01225	2.0
99.00761	1.4
101.02338	11.1
101.05929	0.9
109.06507	0.9
111.00753	1.4
113.02330	5.6
113.09589	0.9
119.03387	3.5
121.02840	0.8
122.60287	0.7
129.05461	0.9
131.03465	0.9
156.97115	0.8
161.04530	1.7
165.12799	1.9
169.01404	1.1
193.15955	1.4
195.10164	1.2
203.15015	0.8
227.12885	2.7
245.13992	1.0
247.20659	0.7
264.10471	1.4
265.21658	1.1
277.83313	0.9
291.19705	1.1
303.21713	1.0
309.20770	3.2
327.21771	3.6
328.21878	1.3
345.19244	1.3
345.22830	6.5
447.26044	3.4
453.79294	0.9
465.26624	2.5
489.26749	1.6
507.12177	2.2
507.28113	100.0
508.28519	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	509.0937
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01253	90.2
61.98698	5.2
65.00198	8.2
69.70303	9.9
71.01251	29.6
73.02832	14.7
75.00757	10.6
75.26414	2.6
83.01276	10.1
85.02826	17.1
87.00758	5.1
89.02318	10.2
95.01266	5.0
99.00763	6.5
101.02325	17.7
101.81203	2.9
107.01289	7.5
108.02054	9.3
111.00751	13.1
113.02339	9.0
119.03390	3.6
123.00745	7.9
123.04438	6.0
125.02344	6.2
131.03366	3.9
133.02794	2.9
134.78714	2.8
136.98750	3.0
139.00270	14.1
143.03413	4.7
147.04338	3.3
149.04466	5.0
149.05992	3.5
151.00294	24.8
151.11145	3.9
152.01001	5.3
159.04385	3.7
161.02330	5.6
161.04483	5.8
163.00302	3.0
164.98155	4.0
166.99701	5.0
169.01387	3.2
173.02356	4.3
174.03117	4.4
175.03983	7.4
178.99818	16.2
185.10150	5.6
185.11755	48.3
186.03242	3.6
187.03964	6.7
193.01274	3.1
197.02458	3.7
201.01775	3.5
202.02695	8.5
203.03444	10.8
204.04033	3.9
209.00940	3.5
214.02632	6.9
215.03374	8.9
215.07111	10.2
216.00648	3.1
217.01324	4.6
217.05174	3.2
229.01485	3.8
230.02158	6.7
231.02969	13.2
232.03760	3.4
241.01321	5.8
242.02173	8.6
243.02914	17.0
245.00868	7.7
245.04410	5.0
246.05331	3.6
247.06093	14.1
257.00870	8.3
257.53958	3.0
258.01694	11.7
259.02451	19.3
261.00470	4.4
269.00717	2.8
270.01807	5.6
271.02457	22.9
273.03836	3.3
274.01309	3.2
285.00653	4.5
285.04034	8.9
286.01184	14.8
287.02026	19.9
297.00302	19.1
298.01047	4.2
299.02066	5.7
300.02740	6.0
301.03589	17.0
302.04077	4.3
303.01413	8.6
303.05154	10.3
303.13458	7.5
304.02014	3.0
305.23447	3.1
313.03613	18.2
314.00702	7.1
314.04135	5.0
315.01376	10.1
315.05170	10.1
317.03061	8.5
318.03809	7.0
321.09610	3.2
329.03052	63.9
330.03403	9.7
345.02496	3.6
346.03354	25.8
347.03995	14.5
377.12604	4.1
409.11563	3.9
427.61383	5.0
449.27545	39.7
467.28757	11.0
476.09531	4.7
481.09958	7.9
491.08542	5.0
508.28375	4.8
509.09433	100.0
509.16583	12.1
509.28894	20.8
510.09985	13.4
510.17172	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	509.0938
Annotation	Unknow
Peak:m/z	Relative Intensity
54.40580	1.9
56.30553	2.0
59.01251	46.6
65.00178	4.5
65.71588	1.6
71.01253	14.4
71.53336	2.2
73.02808	6.4
75.00739	5.3
83.01262	5.9
85.02809	8.7
85.99974	2.1
87.00751	3.1
89.02314	6.5
95.01298	4.2
99.00731	3.7
101.02317	13.1
107.01274	5.2
108.02053	2.8
109.02842	2.9
111.00759	12.3
113.02337	5.6
119.03400	4.2
123.00773	3.7
123.04382	4.0
125.02323	5.6
131.03418	2.3
133.02837	2.5
135.00772	2.4
136.98683	2.9
139.00273	15.5
143.03461	1.7
143.04970	2.1
148.01590	2.0
148.13963	1.9
149.02393	2.9
151.00302	21.7
152.00972	5.3
152.07103	2.6
153.01842	1.7
154.99799	3.8
158.09747	2.0
159.04408	3.0
161.02364	3.7
161.04510	2.6
161.06013	1.9
163.00253	2.0
164.98145	2.5
166.99803	2.3
167.03409	2.6
169.01286	2.2
169.02699	2.2
171.04442	2.0
175.03882	4.9
177.98953	4.0
178.99791	16.1
185.02325	3.1
185.11755	28.6
187.03874	5.2
189.01849	3.4
193.01332	2.2
198.03122	2.0
199.03928	2.2
201.01897	3.8
202.02773	2.6
203.03458	6.8
204.04224	3.5
206.99283	2.1
209.00912	3.0
213.01825	3.5
214.02579	4.7
215.03387	5.1
216.04288	2.6
217.01285	5.9
230.02010	5.6
231.03026	8.8
232.03662	2.5
233.04446	2.2
241.01483	2.0
242.02080	5.4
243.02902	13.1
244.03441	2.0
245.00943	6.3
247.06137	10.8
257.00900	8.6
258.01645	7.4
259.02441	13.2
261.00366	6.6
269.00961	4.5
270.01456	4.4
271.02438	19.8
274.01358	3.2
285.00580	3.5
285.04047	7.9
286.01248	15.9
286.04349	2.6
287.02008	13.8
289.03540	2.6
297.00327	14.8
298.01144	4.5
299.01974	2.3
300.02820	7.8
301.03467	16.4
302.03928	3.6
303.01434	6.5
303.05081	11.6
303.13464	7.1
313.03641	14.1
314.00677	4.7
314.04025	4.3
315.01392	7.8
315.05191	9.2
316.02307	2.9
317.03030	6.3
318.03732	4.5
319.04147	2.5
329.02997	58.6
330.03302	9.0
346.03180	18.7
347.03995	18.4
377.12363	2.3
409.11337	5.2
449.27643	18.6
465.10306	3.0
467.28558	5.3
471.80453	1.9
476.09250	3.2
481.09793	7.1
490.27866	2.0
491.08035	3.5
508.28577	6.8
509.09375	100.0
509.16324	5.1
509.29300	20.1
510.09937	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	509.224
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01756	1.1
55.24136	0.5
57.03308	0.8
58.00457	0.6
59.01252	26.3
60.01599	0.6
61.98697	0.8
69.03308	0.6
71.01255	25.1
72.99171	1.7
73.02827	6.8
75.00358	0.6
75.00746	2.0
83.01245	1.5
85.02830	7.0
87.00757	5.0
89.02320	14.6
95.01263	1.4
97.02833	1.0
99.00760	1.5
101.02325	20.1
113.02333	9.3
119.03378	6.3
125.02330	1.3
129.01776	0.7
131.03419	4.1
133.02824	1.3
143.03409	2.2
149.04453	1.1
159.02821	0.7
161.04462	9.5
167.10722	1.7
168.46346	0.5
179.05547	4.7
185.11708	2.1
221.06618	6.2
329.15674	0.6
347.17032	1.6
351.63419	0.6
449.28122	1.6
467.28510	0.6
509.22379	100.0
510.22757	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	510.2195
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01260	2.8
61.98707	100.0
70.73743	0.4
70.74075	0.7
71.01267	1.3
85.02839	0.7
89.02316	0.6
89.31042	0.3
100.59129	0.4
101.02338	1.1
109.87472	0.3
112.91205	0.4
113.02356	0.6
122.02783	0.4
133.75029	0.4
193.25102	0.4
265.80563	0.4
270.29205	0.4
302.71613	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.2395
Annotation	Unknow
Peak:m/z	Relative Intensity
51.13096	0.8
52.64545	0.8
55.01759	2.9
55.24207	0.9
56.88453	0.8
57.03308	4.3
58.00464	3.3
59.01250	79.1
60.01604	1.4
61.98695	1.8
68.99714	1.2
69.03330	3.4
71.01254	100.0
71.53677	1.1
72.01596	1.4
72.99184	6.2
73.02436	1.6
73.02819	19.4
74.03160	1.1
75.00733	2.2
81.03316	1.4
83.01261	7.5
85.02821	24.9
87.00751	8.8
87.04350	1.1
89.02318	73.1
90.02669	1.2
95.01264	5.9
96.95894	1.0
97.02828	5.3
99.00745	8.1
101.02322	80.4
102.02665	1.4
105.79436	0.8
109.02820	1.5
111.00787	3.9
113.02331	36.0
114.02577	1.1
119.02565	2.0
119.03390	31.1
125.02335	10.9
131.03416	8.4
141.01814	1.8
143.03406	13.3
143.04428	1.4
143.10915	0.9
145.04958	1.0
149.04475	4.7
159.02977	2.5
161.04469	30.7
179.05542	48.9
180.05893	2.1
187.13342	4.7
221.06602	15.9
233.06648	3.8
245.06668	3.7
263.07706	10.1
279.07645	0.9
281.08792	1.1
323.09793	3.9
328.45410	0.8
349.18683	30.1
350.19055	2.8
367.31610	1.0
511.24005	31.9
511.30118	1.5
512.24268	6.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.2398
Annotation	Ethyl 3-hydroxyoctanoate 3-O-beta-D-glucopyranosyl-(1->6)-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
53.52058	0.4
54.65822	0.4
55.01758	3.9
55.51651	0.3
57.03335	3.4
58.00459	3.7
59.01252	83.7
60.01582	1.1
61.98709	0.5
69.03326	3.0
70.55307	0.9
71.01254	100.0
71.04865	0.4
72.01598	1.6
72.99183	5.7
73.02819	20.4
75.00758	1.1
79.45159	0.4
81.03336	0.7
83.01260	8.3
84.02046	0.6
85.02827	28.1
85.99984	0.4
87.00761	9.0
87.04392	0.8
89.02319	71.5
90.02648	1.4
95.01276	6.9
95.55807	0.4
97.02838	4.9
98.19965	0.5
99.00765	7.2
101.02325	81.0
102.02692	1.7
107.03418	0.4
108.02034	0.9
109.02827	0.9
111.00751	2.6
112.01577	0.4
113.02335	36.2
114.02654	0.9
115.03896	0.6
119.03392	33.3
120.03704	0.7
125.02346	10.3
129.01805	0.9
131.03403	8.5
137.02309	0.4
139.03874	0.6
141.01833	0.8
141.09111	1.1
143.03412	12.2
145.04955	0.8
149.04465	2.5
152.01083	0.5
155.03384	0.6
159.02887	2.6
161.04469	28.6
162.04817	0.7
173.04590	0.5
179.05534	53.1
180.05901	1.7
187.13318	3.4
203.05577	0.5
205.03476	0.6
221.06625	18.5
222.07013	1.4
233.06569	1.8
245.06633	4.5
246.07103	0.6
247.40007	0.5
263.07718	7.8
323.09796	5.0
341.10950	0.6
349.18671	50.4
350.19031	4.4
399.91278	0.5
480.17828	1.0
511.23965	33.8
512.24432	5.3
512.31488	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.1251
Annotation	Unknow
Peak:m/z	Relative Intensity
54.63712	2.0
59.01235	4.1
68.99667	1.9
71.01238	4.9
71.52932	2.2
71.53376	2.0
73.02799	3.0
83.01258	2.6
85.02814	6.5
87.00735	4.5
96.95867	2.2
97.02813	2.2
99.00736	4.7
101.02279	2.4
109.02837	2.3
111.00775	10.2
112.98685	2.7
113.02335	4.4
113.99481	22.5
115.00248	11.5
119.04914	73.2
120.05270	3.8
127.00288	2.8
127.26172	1.9
134.03629	21.9
138.86191	2.1
139.00244	3.2
143.03374	4.4
163.03911	65.4
164.04247	2.5
169.01317	11.1
174.01552	12.2
175.02438	3.4
175.03877	4.0
193.04996	8.0
254.60678	2.7
259.04559	11.4
277.05609	12.9
303.27786	2.1
319.06696	7.1
325.09143	4.5
337.07837	18.2
453.10275	7.0
513.12463	100.0
514.12909	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	513.125
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	1.1
68.99667	2.5
69.03329	0.9
71.01265	1.8
71.40244	1.5
72.99185	0.8
83.01292	1.0
85.02820	4.1
87.00734	2.4
89.02328	1.0
99.00773	4.4
101.02349	1.5
111.00748	1.9
113.02325	4.7
113.99463	12.2
115.00282	6.3
117.03326	1.3
119.04932	1.3
127.00246	3.5
128.86671	1.0
129.01782	2.7
134.03630	14.2
149.05975	1.5
157.01318	4.9
163.03969	2.2
169.01338	1.4
174.01614	13.4
175.02284	1.4
175.03914	1.2
193.05006	8.0
224.60927	0.8
258.51605	0.9
277.05649	27.3
278.05838	1.4
337.07767	79.3
338.08124	6.0
453.10388	5.2
454.10666	1.1
513.12482	100.0
514.12848	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	513.1457
Annotation	Unknow
Peak:m/z	Relative Intensity
51.54959	0.8
55.01758	1.1
57.03315	4.1
59.01252	50.0
61.86818	0.9
67.01756	4.4
68.99699	2.0
69.03316	1.3
69.62937	4.6
69.66569	0.8
71.01254	67.0
72.99174	4.4
73.02836	7.2
78.95787	1.8
79.17623	0.8
83.01265	5.2
85.02822	39.2
85.99928	1.2
86.03146	1.2
87.00742	8.0
89.02306	3.4
95.01243	5.5
96.95888	11.3
96.96792	1.0
97.02832	3.1
99.00743	2.9
100.01524	1.0
101.02319	7.9
104.69298	0.9
111.00768	7.2
113.01525	2.2
113.02326	43.9
114.02682	1.2
115.00242	2.6
116.73785	1.2
119.04910	3.5
123.04397	3.3
127.03880	3.7
129.01810	3.4
131.03391	9.7
133.01346	6.0
137.02422	1.0
139.00282	3.3
143.03406	2.0
152.95848	3.2
153.05479	5.3
157.01324	2.4
163.03897	4.1
169.01305	2.7
170.96912	3.2
171.00542	2.1
171.02872	3.1
172.64027	0.9
173.04469	4.7
189.03961	6.1
201.03975	5.2
215.05431	1.2
230.98164	3.6
242.60617	0.9
245.06589	4.1
249.06088	7.9
305.08643	3.3
317.08752	9.3
321.08334	3.2
341.10947	2.6
363.09225	1.4
381.10403	7.1
393.10074	1.4
403.09048	2.8
429.69678	1.0
435.11374	9.8
436.11890	1.7
453.12524	26.6
454.12967	3.1
471.13397	2.1
477.15100	1.2
513.14606	100.0
514.14948	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	513.3065
Annotation	Unknow
Peak:m/z	Relative Intensity
52.86674	0.2
53.38513	0.2
53.64851	0.2
55.01751	0.4
56.39121	0.2
58.00449	0.3
59.01248	6.5
60.42315	0.2
69.27651	1.1
69.28067	0.4
69.57172	0.2
71.01254	5.3
72.99205	0.4
73.02817	1.0
78.95753	0.2
83.01253	0.7
83.04910	0.3
85.02818	1.3
87.00744	0.3
89.02317	3.5
91.03916	0.2
97.02797	0.2
101.02324	4.2
113.02341	2.0
115.03934	0.3
119.03400	1.0
125.02307	0.2
133.04974	0.5
143.03380	0.4
152.99461	0.4
161.04463	1.8
179.05507	0.6
201.20665	0.2
233.22707	0.3
235.08202	1.0
253.09253	15.0
254.09521	0.8
259.20670	0.3
277.21710	100.0
278.22055	11.8
287.80075	0.2
303.43353	0.2
351.62213	0.2
408.41840	0.2
408.47110	0.2
431.22110	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.3069
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01740	0.3
55.52635	0.1
57.03312	0.2
58.00467	0.2
59.01252	6.7
62.99403	0.1
64.16663	0.1
71.01257	4.8
71.01922	0.2
72.99160	0.2
73.02824	0.9
78.95770	1.1
83.01244	0.4
83.04866	0.1
85.02823	1.1
87.00752	0.7
89.02317	3.5
91.03872	0.2
95.01263	0.3
97.02831	0.2
99.00747	0.3
101.02325	4.9
101.03001	0.2
102.02657	0.1
112.24119	0.1
113.02337	2.1
113.99416	0.1
115.03894	0.2
119.03413	1.1
125.02360	0.1
127.07549	0.2
130.86943	0.1
131.03378	0.2
133.04930	0.3
143.03351	0.3
149.04460	0.1
152.98317	0.1
152.99500	1.9
157.04959	0.2
161.04492	1.6
179.05525	0.6
210.57135	0.1
233.22777	0.2
235.08180	1.0
253.09262	16.4
254.09647	0.9
259.20633	0.3
275.20190	0.3
277.21716	100.0
278.22058	11.9
431.21835	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	514.3251
Annotation	Unknow
Peak:m/z	Relative Intensity
52.67653	0.4
52.88627	0.4
59.01251	3.4
61.98707	100.0
68.67669	0.4
69.18102	1.3
69.18521	2.8
71.01254	0.8
73.90317	0.4
85.02863	0.7
98.20174	2.2
101.02381	0.7
105.84005	0.5
372.63309	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.2496
Annotation	Unknow
Peak:m/z	Relative Intensity
52.99513	0.3
54.87177	0.3
56.64680	0.3
59.01251	100.0
60.01591	1.0
61.98701	6.5
69.36237	0.3
69.41010	1.7
71.01254	4.8
73.02821	2.7
75.00758	0.5
77.65101	0.3
83.01284	0.7
85.02810	1.9
86.02393	0.3
87.00757	0.5
89.02310	1.9
95.01263	0.5
96.31202	0.3
101.02330	3.3
111.00787	0.6
113.02316	1.5
119.03366	0.6
137.91295	0.3
147.08086	1.1
151.07603	1.6
161.04498	0.9
163.06027	0.3
193.06889	0.3
204.79582	0.4
205.12259	0.6
213.04446	0.3
249.11407	1.0
306.03940	0.3
395.20932	0.5
413.21967	1.4
446.95242	0.3
455.22372	1.5
479.71521	0.3
490.70035	0.3
497.31314	0.9
515.28961	4.1
515.39795	0.3
516.29248	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.3224
Annotation	Unknow
Peak:m/z	Relative Intensity
52.64611	0.1
55.01736	0.3
57.03310	0.2
58.00480	0.2
59.01248	4.1
61.98696	0.2
70.10384	0.6
71.01252	3.3
72.99188	0.2
73.02810	0.8
74.67313	0.2
77.55623	0.2
78.95773	2.9
83.01251	0.4
83.98838	0.1
85.02813	1.0
87.00763	0.4
88.97742	0.2
89.02312	3.0
95.01253	0.2
96.96834	0.5
97.02855	0.2
98.20432	0.2
101.02318	3.6
113.02338	1.7
119.03378	0.8
133.04900	0.3
139.09196	0.1
143.03381	0.4
152.99480	6.1
153.36563	0.2
161.04482	1.6
179.05553	0.6
235.08249	1.1
253.09256	14.4
253.32112	0.2
254.09538	0.6
261.22168	0.2
279.23276	100.0
280.23615	10.7
403.06854	0.2
433.23706	1.0
457.03732	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.3221
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01759	0.3
57.03334	0.2
58.00466	0.2
59.01249	5.6
69.27270	0.8
71.01249	4.5
72.99188	0.3
73.02815	1.1
75.00759	0.1
78.95772	4.0
83.01267	0.6
83.04861	0.2
85.02821	1.1
87.00750	0.6
89.02313	3.4
91.03880	0.2
95.01285	0.3
96.96864	0.5
97.02814	0.2
99.00758	0.3
101.02320	4.5
103.03865	0.1
113.01609	0.2
113.02331	1.9
119.03390	0.9
125.02334	0.2
133.04958	0.3
143.03381	0.4
150.97929	0.1
152.99487	8.3
153.99843	0.3
157.04973	0.1
161.04462	1.5
171.00462	0.3
179.05530	0.7
186.94492	0.1
212.30058	0.1
235.08228	0.8
253.09254	14.0
254.09662	0.8
261.22125	0.4
279.23270	100.0
280.23615	11.4
433.23480	1.4
434.23889	0.3
482.13477	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	516.198
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98704	51.3
70.14253	2.0
78.95775	54.7
87.79157	0.8
96.96851	4.9
114.58822	1.1
150.97945	1.8
152.99489	100.0
153.99734	1.4
163.93582	3.8
169.08698	1.0
171.00574	2.6
237.97337	3.9
252.37973	0.9
305.93994	0.9
323.99155	1.1
431.22092	16.2
432.22247	1.6
516.19800	14.8
517.20038	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	517.1561
Annotation	Unknow
Peak:m/z	Relative Intensity
50.59681	0.6
58.00463	0.8
59.01247	14.7
70.81824	1.6
71.01252	13.0
72.99152	0.9
73.02822	2.4
75.00737	0.7
85.02820	3.2
87.00745	1.3
89.02320	12.9
89.03850	1.2
95.01268	0.9
101.02329	11.6
113.02307	6.2
115.89072	0.9
117.03337	2.6
119.03385	6.5
125.02379	3.4
131.03377	1.3
132.02069	9.5
134.03630	45.2
135.04002	2.1
137.02362	1.0
143.03371	1.0
147.04388	1.5
149.02327	0.9
149.05966	5.2
160.01569	42.6
161.01959	2.7
161.04454	2.9
174.03113	2.0
175.03920	61.4
176.04422	5.1
178.02632	5.1
179.05499	5.2
189.05524	1.6
191.07036	3.1
193.04990	100.0
194.05315	6.8
202.02646	7.3
207.06491	0.8
209.08174	1.1
217.05017	17.4
218.05463	1.2
221.06557	4.8
235.06151	5.6
247.06006	1.8
259.06152	0.9
323.09927	1.5
339.39322	0.7
517.15216	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.156
Annotation	6'-O-beta-D-glucopyranosylgentiopicroside
Peak:m/z	Relative Intensity
50.87122	0.5
53.44667	0.6
57.42740	0.6
59.01257	3.1
65.02016	0.6
70.03262	2.3
71.01225	3.6
85.00974	0.6
85.02837	0.6
89.02330	3.8
96.30499	0.6
98.20538	0.8
101.02311	2.4
113.02260	0.7
117.03329	1.2
119.03377	2.0
121.02843	1.4
132.02063	3.4
133.02855	1.3
134.03632	51.8
135.03987	2.6
137.02351	7.3
139.03899	2.5
139.25385	0.6
139.26636	0.6
147.04393	0.8
149.05981	13.7
150.03088	0.8
150.06335	0.8
160.01563	12.4
161.01938	0.7
161.04491	0.8
174.03178	0.7
175.03938	13.2
176.04562	0.8
178.02632	28.7
179.02983	1.5
179.05528	1.4
193.04990	100.0
194.05360	5.4
202.95552	0.7
217.05035	1.5
221.06567	1.2
235.06070	1.1
304.17712	0.7
321.79556	0.8
323.09717	1.0
517.15625	28.1
518.16052	5.1
525.63373	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.2288
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84450	0.3
55.01747	0.3
58.00461	0.7
59.01250	100.0
60.01578	0.7
67.11594	0.3
69.03331	1.2
69.89764	1.5
71.01253	10.1
72.99190	0.8
73.02823	3.7
81.03331	0.4
83.01282	0.9
85.02812	4.1
87.00788	0.5
89.02318	4.9
95.01306	0.5
97.02845	1.7
98.19868	0.3
98.20378	0.6
99.00746	0.6
101.02320	7.8
103.03884	4.4
113.02336	1.5
119.03393	2.5
125.02335	7.4
143.03412	0.4
145.05025	0.8
149.09618	6.2
150.10036	0.4
161.04393	0.6
163.06035	5.1
164.06337	0.3
165.25235	0.3
168.18098	0.3
175.01346	0.3
247.08339	1.3
307.10342	6.6
308.10822	0.5
397.22464	0.8
415.23492	0.8
457.24554	1.0
517.30243	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.266
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03325	1.3
58.00479	1.0
59.01254	100.0
60.01581	1.8
61.98706	2.3
71.01261	12.3
71.04865	0.7
71.53499	0.9
72.99172	0.7
73.02829	5.2
74.99906	0.6
75.71622	0.6
83.01279	2.6
85.02830	5.2
85.27670	0.7
87.00763	1.4
87.04417	3.0
89.02316	3.9
93.03333	0.7
95.01264	1.3
99.00786	1.4
101.02332	8.9
111.00812	2.1
113.02349	6.0
118.91871	0.7
119.03430	0.8
125.02364	1.0
143.03450	0.8
161.04489	2.8
182.00960	0.6
197.12823	0.7
269.17548	5.1
355.24915	0.8
397.22385	2.7
415.23605	3.0
446.27780	0.8
457.24713	2.4
517.30243	10.8
518.31036	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.2655
Annotation	Unknow
Peak:m/z	Relative Intensity
53.99140	0.5
54.75876	0.6
57.03325	0.8
59.01250	100.0
59.98066	0.5
60.01582	1.4
61.98703	1.4
71.01251	10.8
71.24397	0.8
72.99168	0.8
73.02823	4.2
75.84776	0.5
83.01263	1.7
85.02828	4.0
87.00755	1.8
88.86304	0.5
89.02315	5.6
95.01276	1.3
99.00768	1.0
99.04398	1.0
99.92467	0.9
101.02319	7.5
111.00789	0.9
113.02330	6.9
115.91978	0.8
116.92760	4.4
119.03403	1.8
125.02352	0.7
143.03362	0.8
149.04449	0.7
161.04457	3.1
179.05533	0.9
183.84534	0.5
200.76292	0.6
251.12918	2.0
253.18294	0.6
260.24741	0.5
289.27264	0.6
397.22269	5.0
398.22720	0.7
415.23544	4.1
416.23828	0.6
431.60529	0.6
434.64053	0.6
457.24451	3.3
517.29883	7.2
518.29932	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.2656
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	100.0
60.01597	1.5
64.94854	0.5
65.57214	0.4
71.01257	4.1
73.02815	0.9
75.00757	0.5
85.02824	0.8
89.02328	4.1
98.20061	0.8
99.00777	1.4
101.02312	2.5
107.96575	0.5
113.02351	1.0
130.08655	1.7
131.03450	0.6
139.32849	0.5
149.04495	2.2
158.29434	0.4
161.04477	0.6
180.57188	0.4
191.05577	0.8
205.12440	0.6
333.36142	0.5
336.15848	0.8
383.38947	0.5
457.24527	3.3
458.25000	0.6
530.72156	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.2524
Annotation	Unknow
Peak:m/z	Relative Intensity
59.60308	0.3
61.98702	0.4
69.91116	1.2
77.45701	0.2
78.95773	44.7
85.31720	0.3
89.08284	0.3
91.42419	0.2
96.96264	0.5
96.96845	6.0
138.65077	0.3
150.97935	1.6
152.99487	100.0
153.99838	1.6
165.09282	0.2
171.00558	4.4
180.16386	0.3
259.11966	0.3
277.21768	0.7
309.93146	0.3
431.21976	18.2
432.22272	2.7
518.25073	2.6
519.27100	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	519.1144
Annotation	6-Methoxykaempferol 3-(6''-acetylglucoside)
Peak:m/z	Relative Intensity
54.11263	1.7
57.03307	1.7
59.01257	74.8
60.01578	3.4
69.59756	10.0
70.65270	2.0
71.01257	15.2
73.02818	4.5
75.00753	2.2
81.54991	2.1
83.01279	3.8
85.02829	9.3
89.02334	7.1
95.01286	2.2
98.19920	3.2
98.20518	3.7
101.02339	9.3
113.02354	7.9
117.63653	1.7
119.03407	3.0
137.09691	2.1
141.59378	2.2
143.03482	1.9
151.00293	5.0
161.04453	4.0
171.04274	1.8
183.04539	2.4
199.03937	11.4
201.01950	1.6
215.03453	5.2
227.03526	9.0
242.02191	5.1
243.02979	46.4
244.03308	4.1
255.02962	22.9
257.04501	5.4
270.01715	8.1
271.02518	59.5
272.02911	7.3
285.04062	10.9
286.04684	3.1
299.01993	68.8
300.02667	31.2
301.02957	2.0
314.04355	70.1
315.05106	100.0
316.05502	10.6
458.24792	2.5
497.66660	2.0
519.11536	76.7
519.32135	8.5
520.11566	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	519.172
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01246	3.7
59.66562	1.8
60.49905	2.1
71.01252	3.3
71.08192	4.9
78.13706	1.8
89.02341	2.9
90.45937	1.8
93.03362	5.9
108.02032	3.1
135.04420	100.0
136.04749	9.0
323.09967	4.3
326.11374	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	519.1724
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01257	38.0
61.98684	6.8
71.01250	39.5
71.53072	2.1
72.99158	4.3
73.02795	7.1
83.01244	5.9
85.02827	13.2
87.00706	2.6
87.92670	2.0
89.02319	25.3
98.20112	3.1
99.00732	6.0
101.02336	31.2
111.00721	2.4
113.02313	13.4
117.03326	5.1
119.03374	6.8
121.02816	4.2
125.02287	2.5
131.03325	4.1
132.02074	20.8
133.02820	3.3
134.02692	4.6
134.03641	73.8
135.03978	3.0
143.03305	3.6
147.04320	2.9
149.05931	5.8
160.01579	98.0
161.01917	6.7
161.04379	8.2
163.06035	4.1
175.03931	93.6
176.04443	9.8
177.01846	2.4
178.02553	4.6
179.05438	7.1
181.07005	8.0
191.07095	12.1
193.04994	100.0
194.05377	5.3
203.81743	2.5
205.07143	3.5
207.06467	4.5
223.06068	3.6
235.06100	29.5
265.07117	5.3
295.08017	6.3
325.11172	7.4
357.15268	5.9
413.58365	2.5
459.18369	5.5
474.31201	2.3
519.16827	91.4
520.17468	10.6
528.64301	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.2451
Annotation	Unknow
Peak:m/z	Relative Intensity
54.50202	0.7
55.01766	5.2
57.03328	4.7
58.00480	1.3
58.50620	0.7
59.01257	100.0
60.01606	1.6
61.98721	1.6
66.04492	0.6
68.99709	0.8
69.03354	1.6
69.78552	0.6
71.01260	63.1
72.01608	1.3
72.99188	2.7
73.02824	18.8
75.00758	2.4
83.01264	10.6
84.02058	0.7
85.02831	30.9
87.00756	3.6
89.02326	12.4
90.70162	0.7
95.01270	5.1
97.02856	2.2
99.00770	8.9
101.02335	44.2
102.02686	1.1
102.27513	0.7
103.13080	0.7
111.00798	0.9
113.02341	28.1
114.02650	0.8
119.03407	3.7
125.02365	2.7
128.91902	0.8
129.01846	1.4
131.03468	1.5
137.62383	0.7
141.77780	0.6
143.03401	3.5
147.63416	0.7
159.02927	5.1
161.04478	20.9
179.05569	2.0
189.67497	0.7
191.01952	1.0
201.04099	0.8
221.06651	1.7
229.36327	0.8
255.19724	1.0
310.36432	0.8
311.73947	0.7
315.18060	5.2
330.74002	0.7
357.13968	0.7
357.19241	1.4
357.26660	2.2
399.24011	5.1
417.25098	2.6
459.26477	1.0
477.23407	40.1
478.23715	5.0
519.24664	18.5
519.32043	7.7
520.24823	3.1
520.31885	1.2
530.88153	0.8
543.18994	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.2446
Annotation	Unknow
Peak:m/z	Relative Intensity
51.68051	1.8
52.53191	1.8
58.47725	1.8
59.01250	76.6
61.98679	3.1
64.31013	1.9
70.10666	6.2
71.01252	28.0
73.02824	5.6
78.37292	1.8
83.01254	6.7
85.02840	12.7
87.00772	2.5
89.02313	12.8
95.01258	3.0
98.20134	5.1
99.00745	2.8
101.02326	19.8
111.00781	2.3
113.02305	11.8
119.03387	4.3
131.03389	4.2
149.04475	4.6
161.04474	7.4
167.10690	4.0
179.14308	2.4
195.13824	8.2
205.12202	8.1
223.13353	100.0
224.13617	9.2
253.09247	15.4
459.22235	16.5
473.96008	2.5
477.23309	8.8
519.32007	15.7
520.31622	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	519.2725
Annotation	Unknow
Peak:m/z	Relative Intensity
55.62094	0.4
61.98695	0.5
65.88501	0.4
71.19803	0.6
78.95777	57.1
80.64753	0.3
85.24661	0.4
96.96837	7.0
147.60602	0.4
150.98006	1.7
152.99490	100.0
153.99847	1.6
171.00560	3.9
254.45470	0.4
334.54974	0.4
365.26990	0.7
519.27228	10.8
519.34521	0.8
520.27557	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	519.2812
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	100.0
60.01591	1.1
61.36256	0.8
61.98702	1.7
66.73614	0.8
67.95334	0.7
69.45061	1.8
69.45461	4.3
71.01250	15.2
71.69437	0.7
72.99175	1.5
73.02834	4.4
75.00752	1.3
83.01272	3.2
85.02826	9.4
87.00764	1.6
89.02316	5.2
95.01270	1.3
98.19804	1.5
99.00774	1.8
101.02324	11.0
113.02339	8.3
119.03426	2.2
143.03444	1.6
149.04495	1.0
161.04437	5.0
179.05559	1.5
191.01968	2.4
191.35005	0.8
224.32228	0.9
300.59460	0.9
357.18796	0.9
399.23959	7.4
400.24026	1.0
417.24979	5.9
459.26065	2.5
475.26367	0.8
477.23743	3.2
477.30582	0.9
501.52585	0.8
519.24292	2.3
519.31909	10.3
520.32117	2.1
521.46448	0.8
524.78778	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.2813
Annotation	Unknow
Peak:m/z	Relative Intensity
57.50830	0.7
59.01252	100.0
59.46888	0.7
60.01595	1.3
61.98714	1.6
71.01252	8.1
72.01591	0.7
73.02833	2.7
75.00756	0.8
79.67970	0.6
83.01239	1.4
85.02816	6.0
87.04350	0.7
89.02335	2.9
95.01256	0.9
98.19938	0.7
100.34260	0.7
101.02324	5.7
111.00838	0.7
113.02332	4.6
115.08757	0.8
116.92758	0.8
119.03394	1.5
125.02332	0.8
131.03429	0.6
135.04358	0.9
145.40625	0.7
161.04544	1.6
181.12346	0.7
189.98416	0.7
190.02657	1.9
202.67816	0.6
267.03104	0.9
278.92142	0.6
297.07809	0.9
314.04327	0.8
315.05441	0.7
325.18872	4.1
359.23242	0.7
399.23932	2.8
415.23874	0.8
417.24420	1.5
459.25952	4.6
515.58240	0.8
519.32300	5.9
520.32074	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.3172
Annotation	Antibiotic BU 2867TA
Peak:m/z	Relative Intensity
55.01756	3.2
56.72202	0.5
57.03323	2.7
58.00467	1.2
59.01253	86.6
60.01589	1.5
61.01671	0.6
61.98706	2.0
69.03329	0.8
69.19512	0.5
71.01255	38.2
71.45449	1.0
72.99188	1.6
73.00648	0.5
73.02819	12.7
75.00763	1.2
83.01268	5.9
85.02826	19.5
85.99962	1.3
87.00770	2.5
89.02318	9.7
95.01257	4.4
97.02832	1.4
99.00776	5.2
101.02328	26.3
102.02638	1.0
110.99466	0.5
111.00781	1.9
113.02330	15.4
119.03391	3.7
125.02334	1.3
135.04485	0.6
141.59534	0.5
143.03413	1.5
149.04611	0.6
159.02890	1.4
161.04468	7.2
171.00444	0.5
219.40509	0.5
255.19710	2.0
271.02496	0.7
313.27463	1.2
315.05380	0.8
321.24329	1.2
339.25446	0.9
357.10959	0.9
357.26505	1.0
399.23865	16.4
400.24380	2.8
417.24988	7.7
418.25098	0.9
459.25931	9.5
460.26123	1.8
475.32712	4.1
477.23633	1.0
501.30783	7.5
519.31738	100.0
520.32129	18.6
548.78882	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.3174
Annotation	Antibiotic BU 2867TA
Peak:m/z	Relative Intensity
55.01748	1.9
57.03307	3.9
58.00459	2.4
59.01249	72.0
60.01581	2.1
61.98685	2.3
71.01253	42.1
71.53632	1.6
72.01611	1.8
72.99164	3.6
73.02818	12.1
83.01244	8.5
84.02016	1.4
85.02823	39.9
87.00737	4.8
88.71377	1.2
89.02325	9.6
95.01260	4.8
99.00751	4.9
101.02328	26.8
104.57638	1.4
111.00730	2.4
113.02329	15.4
119.03384	3.9
120.93755	1.3
121.78545	1.1
131.90080	1.3
143.03391	2.2
148.41544	1.4
159.02885	1.6
161.04469	9.0
173.02866	1.2
179.05553	2.1
191.01894	17.8
271.22629	1.5
275.86264	1.4
313.27576	1.7
321.24509	2.4
357.26492	1.5
417.24731	2.1
426.13098	1.6
459.29709	3.0
475.32834	4.7
477.23538	2.8
477.30573	2.5
501.30936	5.5
519.31750	100.0
520.32129	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	520.268
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01245	1.1
63.93676	0.8
68.03668	0.8
70.21046	2.6
70.63396	0.8
74.80427	0.7
78.95779	45.9
88.98689	0.8
96.96838	6.1
98.19856	0.9
136.94058	0.7
150.97923	1.0
152.99490	100.0
153.99818	1.4
171.00604	4.4
279.23297	1.3
299.49002	0.8
431.22147	0.9
433.23587	18.8
434.23804	3.8
520.26617	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	520.2682
Annotation	Unknow
Peak:m/z	Relative Intensity
53.78933	0.2
55.78624	0.2
59.01248	0.3
62.96275	0.2
63.59232	0.2
70.17293	0.2
71.25088	0.3
78.95780	46.1
88.98669	0.3
96.96847	6.2
108.39475	0.2
112.58407	0.2
134.25066	0.2
147.90218	0.2
150.97919	1.8
152.41541	0.2
152.99498	100.0
153.99863	1.9
171.00565	3.9
199.08565	0.2
214.74973	0.2
279.23383	1.1
318.91199	0.2
363.49402	0.2
415.05524	0.2
415.73749	0.2
431.22134	0.3
433.23602	21.9
434.23953	3.1
520.26715	3.4
521.27271	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.2165
Annotation	Unknow
Peak:m/z	Relative Intensity
53.84265	2.2
60.99177	4.3
61.98687	3.6
66.38470	2.0
70.19124	3.9
70.28122	2.5
77.16205	2.6
78.95779	48.8
88.98676	39.7
96.96861	6.5
98.19849	2.4
152.99500	100.0
171.00560	4.6
186.86446	2.6
223.90755	2.4
242.89140	3.2
260.90140	2.9
321.02893	2.7
357.87488	2.6
380.18497	3.2
431.22070	24.9
433.25967	2.7
534.78351	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	521.2243
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01253	100.0
61.28668	5.1
61.98708	63.9
63.79868	5.1
69.27707	38.0
71.01257	65.8
73.02825	17.6
85.02847	13.8
87.00758	8.6
89.02326	66.2
97.02850	9.6
97.91277	5.2
98.20619	9.4
99.00772	18.4
101.02330	32.2
111.00816	6.2
113.02350	10.5
119.03422	6.1
125.02334	18.7
131.03377	12.0
143.03435	5.7
147.73219	5.5
149.04512	35.2
167.10709	12.0
191.05510	11.0
224.69902	6.0
233.06659	8.7
293.08838	29.5
337.17575	5.7
466.31445	5.7
521.32959	24.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.247
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01235	4.6
62.07956	1.1
66.91248	1.1
70.02936	4.2
78.95783	11.5
121.02864	2.3
122.03582	2.9
140.01076	4.7
167.14326	4.1
193.15945	3.5
196.03712	1.6
207.17464	2.5
214.04817	4.8
231.17543	1.8
249.18585	29.5
250.18907	4.3
275.16556	23.1
276.16910	2.4
281.21185	5.3
286.64008	1.4
293.17593	71.7
294.17871	6.5
307.19186	3.7
325.20178	100.0
326.20468	9.9
423.19150	1.4
522.24591	24.7
523.25372	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	523.2187
Annotation	(-)-Isolariciresinol 4-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
57.03311	0.9
58.00466	0.7
59.01252	12.1
61.98685	0.6
62.27308	0.6
69.95354	1.8
71.01250	10.9
72.99170	0.7
73.02810	2.0
83.01237	0.6
84.18854	0.6
85.02814	3.1
87.00752	0.9
89.02313	9.2
93.03308	1.3
95.01271	0.7
97.02831	0.6
97.93505	0.6
99.00758	0.8
101.02319	6.0
109.02828	3.5
113.02342	2.9
119.03384	1.4
121.02843	10.8
122.03638	8.3
123.04447	0.8
124.01551	0.8
125.02331	1.1
129.03374	1.1
131.03387	2.4
134.03679	0.7
135.04431	1.0
137.02344	2.6
146.03609	0.8
147.04417	5.3
149.04463	5.8
149.05582	1.0
154.02614	1.5
154.58661	0.6
155.10690	8.2
161.04475	2.1
161.05899	1.3
165.05476	20.5
166.05870	0.7
179.05574	0.7
179.07039	7.6
180.07420	0.8
191.05554	1.4
199.09682	10.4
208.24173	0.6
217.91936	0.7
223.09755	1.0
238.39302	0.6
313.14188	0.9
315.12378	2.2
331.17694	1.1
346.14197	9.0
347.14758	0.8
361.16562	100.0
362.16928	12.6
416.81982	0.7
463.21725	12.2
464.22293	1.8
523.20990	1.0
523.27759	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	523.2187
Annotation	Mascaroside
Peak:m/z	Relative Intensity
55.01768	1.2
57.03323	1.2
58.00476	0.6
59.01251	21.4
61.98722	1.0
69.03345	0.6
69.19781	4.2
71.01252	19.1
72.99212	1.6
73.02821	4.0
74.53921	0.5
75.00759	0.8
80.61811	0.4
83.01249	3.4
85.02821	8.7
85.03277	0.6
87.00757	2.4
89.02316	9.3
89.02806	0.7
93.03359	1.0
95.01293	1.9
97.02863	0.6
99.00799	1.5
101.02324	13.5
108.02073	0.6
109.02829	3.8
111.00795	1.3
113.02324	6.7
119.03417	3.2
121.02834	9.1
121.03654	0.6
122.03633	8.1
123.04436	1.7
123.17178	0.6
124.01600	0.8
125.02386	0.6
129.01889	0.5
129.03377	0.7
134.03664	0.7
135.04440	1.7
136.05226	0.7
137.02364	2.3
137.09625	0.6
137.88737	0.5
143.03453	0.7
146.03687	0.7
147.04417	5.7
148.05220	0.5
149.04504	1.4
149.05975	0.9
154.02690	1.1
155.10727	1.3
159.03020	0.8
161.04491	1.4
161.06030	3.1
162.06837	0.8
164.04736	0.7
165.01892	0.8
165.05486	18.4
165.06853	1.0
166.05867	1.3
166.13837	0.5
174.06648	0.7
175.07588	1.1
179.07063	5.0
180.07390	0.5
189.05496	0.5
191.05553	0.6
191.07152	1.2
195.06679	0.6
199.09634	1.0
209.08017	0.8
223.09758	0.6
225.07704	1.2
240.08421	0.7
298.12128	1.0
313.14499	1.7
315.12418	1.3
316.13132	0.8
328.13040	1.6
329.14053	0.7
343.15604	4.3
346.14215	7.7
347.14804	1.7
356.39548	0.5
361.16544	80.8
362.16928	11.3
369.10876	0.5
401.13596	1.3
459.13544	0.6
463.21072	0.8
479.25259	0.6
491.16913	0.9
492.17657	0.5
523.21741	100.0
524.22070	18.0
524.29602	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.2397
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03316	2.5
59.01252	58.2
61.67204	1.3
61.98702	2.4
62.58963	1.6
64.91142	1.3
71.01254	43.8
72.99165	3.0
73.02820	6.8
75.00757	1.4
79.05360	1.4
83.01257	3.2
85.02831	11.0
87.00750	3.7
89.02316	43.4
89.96529	1.4
90.02628	1.6
94.95274	1.3
95.01258	2.6
99.00748	4.9
101.02324	32.8
102.02656	1.4
109.02819	4.2
113.02319	15.8
119.03373	12.8
121.02818	12.5
122.03637	9.1
125.02328	3.8
131.03397	13.5
134.03662	2.0
135.78885	1.5
137.02324	2.3
137.09578	2.8
138.10414	1.5
143.03435	3.0
147.04416	2.7
149.04463	23.8
155.10683	13.0
161.04428	6.3
161.05782	2.0
165.05487	25.9
166.05753	2.3
179.05492	8.2
179.07047	8.0
180.07339	1.6
191.05560	6.9
191.07051	1.9
199.09694	9.3
278.49109	1.5
293.08820	1.9
315.12390	1.9
331.17612	7.3
346.14169	10.2
356.83542	1.5
361.16541	100.0
362.16898	13.8
463.21716	30.4
464.22467	2.5
523.27808	21.0
524.27643	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	523.2397
Annotation	Unknow
Peak:m/z	Relative Intensity
53.46888	2.8
53.89926	3.2
55.01761	5.4
57.03317	7.1
59.01250	85.7
61.98701	43.6
69.03347	5.6
69.92733	3.1
70.83228	3.3
70.88379	8.3
71.01255	100.0
72.99160	6.6
73.02819	21.1
75.00745	6.1
76.67326	4.0
79.92518	3.3
83.01237	8.7
85.02821	38.3
87.00758	11.3
88.67932	3.8
88.98720	3.3
89.02325	41.3
89.35365	3.0
92.14275	3.3
95.01273	9.3
96.95895	4.3
97.02854	8.2
99.00771	12.9
101.02313	48.6
101.78071	3.1
111.00784	5.3
113.02321	35.8
119.03393	10.9
125.02329	11.4
131.03397	7.6
143.03372	4.9
149.04437	6.5
161.04471	12.6
173.04417	4.0
187.13422	3.8
199.13313	4.0
212.38049	3.7
231.11874	3.5
233.06639	10.3
293.08789	5.3
331.17645	7.8
343.17499	5.4
361.18539	15.3
361.29373	21.9
362.18906	6.7
448.18912	4.1
463.21793	42.8
464.22202	5.4
479.20242	8.4
481.23056	7.8
492.17938	9.4
523.24011	64.7
523.34576	59.8
524.35272	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	523.2394
Annotation	Unknow
Peak:m/z	Relative Intensity
54.42594	0.2
55.01749	1.4
57.03313	0.8
58.00477	0.5
59.01252	12.8
61.43391	0.2
69.03316	0.4
71.01254	14.0
72.99184	0.7
73.02819	4.9
75.00745	0.7
83.01250	2.9
85.02825	6.5
85.99972	0.6
87.00764	1.9
89.02314	4.6
95.01254	1.3
97.02819	0.7
99.00737	1.6
101.02317	11.9
101.02998	0.6
102.02643	0.3
106.13819	0.2
111.00777	0.6
113.02331	4.7
119.03414	1.4
122.03568	0.4
124.01512	0.3
125.02299	0.9
129.01834	0.3
139.11288	0.4
141.01813	0.3
143.03413	0.3
149.04407	0.4
155.10686	0.6
159.02844	0.3
161.04494	1.3
165.05461	0.6
181.12254	0.7
199.13313	5.4
200.13681	0.4
213.14880	0.3
343.17593	1.2
346.13995	0.3
361.18747	14.6
362.19141	1.6
463.21909	0.4
505.23117	0.5
523.23901	100.0
524.24255	15.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.2912
Annotation	Unknow
Peak:m/z	Relative Intensity
59.22349	1.6
71.53304	1.5
72.99187	7.9
78.95779	1.8
83.01295	1.9
85.99982	2.2
89.97118	1.6
99.00757	8.0
100.01518	2.0
111.00792	4.8
113.99489	28.0
128.01111	2.4
143.79417	1.7
150.60849	1.9
156.00558	46.2
156.01825	3.0
157.00912	2.8
165.06657	1.4
174.01620	100.0
174.56206	1.9
175.02104	4.1
227.20032	1.9
349.27396	2.8
361.27539	2.5
366.11771	1.8
405.26535	3.3
423.27597	30.4
424.27747	3.8
463.27008	23.4
464.27634	5.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.2913
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39070	1.7
55.28151	1.7
58.98446	1.7
59.01226	2.8
71.53931	2.0
72.99181	2.6
83.01222	2.0
87.74371	1.9
88.34329	1.7
95.56788	1.6
99.00745	5.0
100.28249	1.7
113.99489	15.8
128.00998	2.4
152.99516	2.7
156.00572	16.7
174.01627	100.0
175.01987	3.8
180.19530	1.7
226.12395	1.8
227.20146	5.8
274.65338	1.8
348.20978	2.1
384.37717	1.7
423.27744	13.2
445.41302	2.0
463.27072	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	523.3488
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01754	2.0
57.03321	4.4
58.00460	1.8
59.01252	33.9
60.01583	0.8
61.69312	0.4
61.98702	1.5
69.03320	0.7
70.45121	0.5
71.01255	42.5
71.53335	0.5
72.01611	1.0
72.99180	3.0
73.02821	8.2
75.00746	1.7
83.01254	5.2
85.02825	16.2
85.15961	0.4
87.00741	2.6
89.02317	19.8
95.01273	4.1
96.86186	0.4
97.02844	0.8
97.06503	0.5
99.00748	2.4
101.02327	25.8
102.02665	0.5
111.00751	2.3
113.02330	16.3
119.03391	9.3
123.08031	0.5
125.02349	1.0
129.01889	0.8
129.37332	0.4
131.03369	1.2
138.25539	0.4
139.00252	0.5
139.11221	0.5
141.09041	0.4
143.03391	1.1
149.04465	1.0
151.00320	0.4
157.12224	1.0
159.02927	2.3
161.04465	7.6
165.75043	0.4
171.13768	0.8
179.05545	2.8
187.13307	0.5
201.14935	1.1
217.14355	0.5
359.28140	0.7
361.29578	21.5
362.29990	2.5
435.89819	0.4
523.34894	100.0
524.35211	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	523.3491
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01751	1.3
57.03328	3.3
58.00464	1.4
59.01253	25.5
61.98697	1.2
70.88498	1.2
71.01254	31.9
71.19650	0.5
72.01589	1.1
72.99193	2.4
73.02821	8.8
75.00743	2.8
81.03307	0.7
83.01259	5.4
85.02820	14.4
87.00747	2.2
87.04400	0.9
89.02316	9.6
95.01263	2.6
97.02887	0.6
99.00764	3.2
101.02327	22.6
102.02692	1.0
106.01477	0.4
107.46101	0.5
111.00741	1.5
113.02330	13.9
119.03392	4.1
125.02289	0.8
127.11205	0.6
129.01807	0.6
131.03386	0.8
143.03400	1.2
149.04420	0.6
155.10733	0.6
157.12294	0.9
159.02911	2.3
161.04471	5.7
165.82092	0.6
177.00810	0.6
185.15382	0.7
187.13313	1.8
201.14891	1.1
231.15990	1.0
315.25299	1.0
338.32266	0.5
359.28101	1.8
361.29584	21.1
362.29883	2.2
477.23291	1.5
523.34882	100.0
524.35260	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	524.1985
Annotation	Unknow
Peak:m/z	Relative Intensity
50.11363	0.7
53.52943	0.9
56.31715	0.7
59.01253	6.2
60.02292	0.8
61.98701	100.0
71.01249	2.6
71.53693	1.0
73.02820	1.2
74.87592	0.9
75.00759	1.2
78.95750	1.0
80.96385	1.9
85.02831	0.9
89.02316	1.4
100.82172	0.8
113.02316	0.9
149.04285	0.8
197.11829	1.0
287.22183	1.3
327.21732	1.8
371.82434	0.9
523.34491	1.1
524.27032	2.5
525.10608	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	524.2038
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	23.6
61.98706	7.8
63.57370	1.7
71.01254	20.1
71.53487	1.8
72.99217	2.0
73.02821	3.2
78.82723	1.8
85.02829	7.7
87.00763	2.7
89.02325	9.4
94.06493	1.8
99.00722	2.5
101.02320	11.3
107.03642	1.9
107.51907	1.6
108.04421	5.3
110.06029	7.8
113.02343	7.3
119.03381	3.3
122.06051	8.6
134.06001	8.9
136.07587	7.1
138.83961	2.0
146.05963	2.5
148.07597	2.0
152.07069	7.5
161.04579	5.9
161.46124	2.1
174.05493	3.0
180.06604	18.1
187.06308	2.3
188.07062	10.7
201.10240	2.1
210.08073	2.0
215.11783	1.9
223.08806	2.3
224.09554	3.3
232.16908	2.1
236.61937	1.8
237.10284	4.7
239.11853	16.2
249.10193	2.7
251.08281	4.7
251.12103	2.2
263.11948	4.1
264.09085	3.2
265.09824	15.5
266.10580	4.2
267.11377	6.8
278.10275	2.2
279.07773	5.7
279.11368	10.5
280.12079	3.6
281.09253	3.4
289.09888	2.5
291.11487	4.3
292.08539	4.0
293.09329	12.8
307.10797	18.5
308.11642	39.1
309.12122	5.0
311.10410	4.2
312.11136	2.2
340.10553	18.2
352.10629	4.0
361.29495	7.3
362.29926	3.7
418.17767	7.9
430.17700	33.8
431.18076	4.7
448.18768	55.9
449.19049	7.1
474.16714	9.2
474.22894	2.3
492.17801	100.0
493.18057	16.8
506.19211	3.2
523.34985	17.7
524.20331	30.4
524.27808	2.9
524.35150	15.4
525.20502	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.1827
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01752	1.1
57.03311	2.0
58.00468	1.1
59.01249	18.2
69.03328	0.9
71.01256	27.4
71.33041	1.0
71.33384	0.9
72.99165	3.8
73.02810	3.7
75.00749	13.4
83.01249	2.4
85.02824	27.8
87.00739	6.2
89.02319	9.8
93.03333	1.2
95.01267	3.9
99.00749	8.5
101.02316	8.4
103.00253	1.5
104.61356	0.9
111.00748	2.6
113.02325	31.8
113.05960	9.8
114.02601	1.2
115.00299	1.7
117.01801	1.5
119.03417	1.8
129.01796	0.9
155.28522	0.9
161.04424	2.8
175.02365	2.3
182.42482	0.9
205.07137	3.9
223.08162	1.9
249.06062	1.4
253.09366	0.9
318.52295	0.9
348.19638	0.9
411.11475	4.0
429.12497	19.5
430.12738	2.1
507.16971	2.2
525.18213	100.0
526.18579	15.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	526.0839
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	13.4
61.98700	26.1
63.02267	2.5
65.00184	3.5
69.19519	5.3
69.19933	6.9
71.01247	9.7
73.02848	2.6
73.87168	1.5
83.01258	5.7
85.02828	5.2
87.00761	1.9
89.02332	3.4
101.02332	7.5
107.01268	12.7
113.02332	2.3
116.07012	1.5
119.03381	1.4
121.02834	10.5
124.59899	1.3
151.00276	47.0
152.00603	1.6
169.01361	5.1
178.99786	27.0
179.05412	1.4
200.61424	1.3
220.83557	1.8
226.13034	1.4
227.03529	1.6
257.04602	1.6
273.04144	2.5
275.44650	1.4
300.02429	1.7
301.03528	100.0
302.03879	10.0
363.20535	1.4
461.21597	1.7
463.08801	71.4
464.09137	9.2
525.25500	2.9
526.18372	2.3
526.26019	3.4
526.34454	2.5
527.24890	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	527.2859
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01755	0.2
59.01249	5.4
61.98701	0.3
66.63866	0.2
67.95603	0.2
69.03320	0.2
71.00893	0.3
71.01254	4.2
71.20315	0.3
72.99174	0.2
73.02800	0.5
80.02586	0.2
82.82476	0.2
82.96915	0.2
83.01263	0.5
85.02821	0.9
85.85770	0.2
87.00744	0.3
89.02309	3.6
91.03943	0.2
95.01254	0.4
101.02315	4.2
106.04097	0.2
110.56348	0.2
113.02308	2.2
119.03363	0.8
119.04977	0.2
122.71230	0.2
125.05948	0.3
131.03445	0.2
143.03398	0.2
148.08775	0.9
150.10397	0.8
151.11134	0.4
161.04445	1.4
163.11221	0.9
165.12753	15.5
166.13078	1.1
166.45267	0.2
175.11160	0.4
176.11955	0.4
177.12660	0.3
179.05513	0.4
191.14322	0.5
216.02065	0.2
217.15843	0.3
231.13863	0.2
235.08162	0.4
240.55042	0.2
247.20630	8.2
248.21011	0.9
253.09253	16.8
254.09642	1.1
273.18597	4.2
274.18915	0.4
291.19641	100.0
292.19986	11.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.2859
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03323	1.2
59.01246	7.4
60.84911	0.6
61.98703	1.1
68.93007	0.6
69.80210	2.2
71.01254	4.6
73.02811	0.7
85.02818	1.1
87.00726	0.8
89.02317	3.3
93.00458	0.5
95.04938	0.7
97.02830	0.7
98.20512	0.7
101.02305	3.8
111.08033	7.6
113.02321	1.9
119.03368	1.2
125.09568	0.7
149.09537	0.8
161.04454	1.3
165.12753	1.3
167.10745	1.2
177.12749	1.2
179.10728	1.3
183.13852	0.6
195.13837	4.2
237.08577	0.5
247.20641	1.6
253.09274	16.4
254.09653	0.9
273.18674	1.7
291.19656	100.0
292.19983	11.1
527.28656	1.9
540.95013	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.2864
Annotation	Unknow
Peak:m/z	Relative Intensity
50.32865	1.8
57.03338	3.4
59.01248	16.1
61.98707	1.9
67.99442	1.8
70.55847	3.0
71.01254	22.0
71.01614	2.1
72.99210	5.5
75.00755	21.7
79.95653	1.6
80.96395	9.0
81.33173	1.5
82.85928	1.8
85.02826	25.5
87.00771	9.7
89.02340	5.6
94.98011	1.9
95.01286	4.6
95.94157	1.7
99.00758	14.0
101.02386	2.7
103.00297	3.0
113.02336	42.6
115.00337	2.5
117.01879	4.6
121.77512	1.5
123.57156	1.6
129.01804	1.8
147.35799	1.7
168.54887	2.0
175.02458	6.4
205.07213	4.9
209.22058	1.5
223.08290	1.7
225.00790	2.1
249.06131	13.7
256.81274	1.8
267.07233	9.8
277.21732	71.6
278.22238	7.1
293.05923	1.7
509.27609	3.5
527.28864	100.0
528.29010	21.9
528.35907	1.7
544.03400	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	527.2858
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01248	5.8
60.26323	0.3
61.26565	0.3
62.70589	0.3
69.02127	0.3
69.27895	0.5
69.28306	1.9
71.01251	4.2
72.99153	0.5
73.02792	0.7
78.23870	0.3
83.01237	0.8
85.02826	1.0
87.00745	0.5
89.02306	3.9
95.13513	0.3
98.19835	0.5
98.20488	0.7
101.02325	4.2
113.02322	1.8
119.03407	1.3
141.76640	0.3
143.03386	0.4
148.08852	0.7
150.10332	0.6
151.11032	0.3
161.04474	1.9
163.11176	0.6
165.12752	15.0
166.13095	0.9
175.11171	0.4
179.05496	0.7
191.14328	0.7
217.15840	0.4
230.44698	0.3
235.08218	0.4
247.20636	8.0
248.20970	1.1
248.68799	0.3
253.09248	18.0
254.09544	0.8
273.18610	4.6
291.19647	100.0
292.19955	11.6
309.26450	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.3448
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62374	0.8
52.51932	0.9
59.01256	6.2
61.98703	15.8
62.31824	0.9
63.97455	0.9
65.45190	1.0
69.80338	2.1
69.80746	3.3
71.01251	2.1
72.99171	2.9
73.02814	1.4
75.00746	100.0
76.00252	1.0
78.87677	1.0
83.04890	3.8
85.02840	0.9
89.02329	1.7
98.19947	2.3
98.20538	1.7
100.30537	1.0
101.02325	1.4
107.85822	0.9
121.42315	0.8
138.59570	1.0
143.03426	1.2
143.04918	2.4
151.04060	1.0
179.05588	1.1
216.84866	1.0
238.16576	1.2
301.03098	1.0
333.23126	1.2
345.74731	1.2
449.31143	2.7
467.32309	18.5
468.32883	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	529.1596
Annotation	Unknow
Peak:m/z	Relative Intensity
54.94787	0.3
59.01247	3.8
61.98695	1.0
64.79850	0.3
65.85597	0.4
71.01249	1.7
76.27348	0.3
76.52268	0.4
79.95610	1.5
80.89684	0.3
85.02816	0.4
89.02308	1.5
95.01202	0.4
96.95887	100.0
97.95777	0.4
98.19811	0.7
101.02319	1.7
113.02325	0.6
119.03397	0.4
157.01303	0.4
167.03375	0.4
179.05515	0.4
189.47824	0.3
190.73076	0.5
209.11754	1.3
213.90179	0.3
225.07870	0.4
225.14899	0.3
228.50108	0.4
269.13889	1.5
362.18185	0.4
449.20236	2.4
450.20801	0.5
529.15900	20.2
530.16052	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	529.3017
Annotation	Kukoamine A
Peak:m/z	Relative Intensity
55.01746	1.4
57.03312	4.7
59.01257	17.0
61.98697	3.0
67.01763	1.4
69.03342	1.9
70.02653	2.7
71.01256	23.6
72.99182	6.0
75.00751	23.2
78.95784	2.2
83.01273	3.6
85.02824	27.1
87.00746	10.0
89.02322	8.2
89.89999	1.4
95.01250	8.3
99.00754	15.5
103.00271	3.6
111.00739	3.3
113.02328	36.7
113.19510	1.3
115.00212	2.1
117.01820	1.9
129.01881	2.0
131.03427	1.9
133.52774	1.4
141.00874	1.6
147.67712	1.4
157.01317	3.1
175.02390	3.9
183.20364	1.6
205.07126	2.7
223.08102	2.3
249.06133	15.3
251.43210	1.4
255.23337	3.4
267.07224	9.2
279.23288	90.1
280.23621	9.8
325.31454	1.4
329.95538	1.5
350.24210	1.6
378.19974	1.4
444.92200	1.7
480.30914	2.3
511.29108	3.0
529.30182	100.0
530.30499	17.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.3017
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01245	9.1
61.98703	4.4
69.20866	5.3
69.21269	1.3
71.01246	6.8
73.02823	1.0
75.80010	0.6
85.02821	0.9
87.00756	0.8
89.02321	7.1
101.02310	6.4
103.44230	0.8
109.20917	0.7
113.02307	2.8
119.03375	1.5
125.38337	0.7
143.03407	0.8
161.04472	4.5
169.75235	0.7
179.05371	1.2
179.14388	0.9
195.13834	8.8
196.14433	1.0
205.12245	0.9
223.13271	5.5
253.09270	30.7
253.11906	1.5
254.09628	2.4
256.13141	1.3
275.20175	5.2
276.20441	1.0
293.21231	100.0
294.21588	10.9
300.51291	0.7
304.41306	0.7
375.84076	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.2451
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01754	2.7
57.03329	3.0
58.00459	5.6
59.01252	100.0
59.56089	1.7
60.44715	1.6
61.17027	1.8
61.98702	4.8
69.03339	3.5
69.21450	16.4
71.01254	57.7
72.99185	8.3
73.02821	37.6
73.03197	3.3
75.00742	2.9
83.01262	5.2
85.02827	17.9
85.99958	1.7
87.00748	18.4
87.04374	4.2
89.02318	33.7
97.02812	2.8
97.06382	1.9
99.00793	3.3
99.04411	4.8
101.02325	68.2
101.02999	3.7
103.03902	20.8
110.66960	1.5
113.02328	8.9
115.03877	7.6
117.08655	1.7
119.03382	12.8
125.02335	4.3
127.03915	2.7
131.03369	14.7
143.03398	21.3
145.04959	8.1
149.04434	1.8
151.77478	1.8
161.04497	2.1
161.13309	1.9
163.06032	77.6
164.06354	3.8
205.07101	35.6
205.12260	25.0
206.12672	2.5
233.06636	1.8
265.09286	4.7
270.11578	1.9
369.22778	2.5
399.24231	2.1
489.26941	3.2
519.49133	2.2
531.28607	45.2
532.27893	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	531.2821
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02849	7.4
59.01251	9.0
60.01608	0.3
61.98697	0.7
66.03352	1.0
70.40329	1.0
71.01254	3.2
72.00788	1.6
72.55666	0.3
72.99191	0.4
73.02804	1.2
74.02354	2.9
82.06479	0.9
83.01261	0.6
83.02361	0.5
84.00788	0.7
84.08044	0.8
85.02803	1.3
87.00766	0.4
89.02304	1.7
93.03325	3.0
95.01295	0.3
96.95892	0.4
98.01086	0.6
100.07622	0.4
101.02322	2.8
106.04138	0.7
107.04889	1.1
110.05993	0.4
111.00679	0.3
111.01891	0.8
112.02662	0.6
112.07536	0.7
113.02320	1.5
113.07117	0.4
114.01849	0.4
115.08656	32.4
116.07047	0.8
116.08984	0.8
119.03386	0.9
119.04911	8.4
120.05228	0.5
125.03452	0.4
125.07082	1.5
126.05486	0.8
127.08661	1.5
128.07108	0.6
129.10204	2.8
134.03670	1.8
134.06003	4.0
136.07549	1.4
137.07069	0.7
138.05486	0.9
138.07855	0.5
139.08652	1.6
140.07086	1.5
141.06596	14.9
141.10240	0.7
142.07011	0.4
143.03368	0.5
143.08173	0.7
143.14661	0.3
149.04401	0.4
153.06595	0.5
155.08133	2.8
157.09735	6.5
158.08081	0.4
160.01488	0.6
161.02347	0.5
161.04558	0.4
162.05557	0.3
163.03914	6.4
164.04294	0.4
165.09125	4.3
165.13837	2.5
166.07471	0.5
167.08160	1.9
173.09235	3.1
175.03943	1.0
178.02570	0.9
180.06583	21.9
181.06940	0.8
181.13362	1.4
183.14935	7.3
184.15073	0.4
191.11826	0.7
192.10251	0.8
193.04919	1.9
193.13388	0.5
197.09163	0.5
206.99780	1.7
208.14404	1.6
209.12891	8.0
209.14862	0.5
210.13272	0.6
211.14462	0.5
218.06834	0.4
223.14417	0.3
225.16043	1.0
226.15491	1.0
228.17055	0.5
233.06717	0.3
233.12939	1.6
235.14470	14.8
236.14830	0.9
241.15570	0.4
245.09177	0.4
247.18130	1.8
249.14696	0.4
250.15540	1.0
261.12518	1.8
264.20840	0.9
268.16718	0.9
269.14957	0.5
279.13498	16.3
280.13794	1.0
306.21829	0.8
309.20642	0.4
323.07730	0.4
329.18680	1.4
329.73984	0.4
330.14661	3.7
331.14691	0.5
337.09314	0.7
346.21301	3.1
347.21600	0.4
348.22775	0.5
350.20862	2.0
369.22812	0.4
373.19858	0.6
374.20569	0.5
390.20294	2.4
399.24161	0.5
402.27609	0.7
417.18857	0.9
487.29105	1.4
489.26956	0.7
521.11047	0.4
531.28198	100.0
532.28516	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	531.3175
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03329	3.7
59.01241	14.3
61.98697	14.5
64.68436	3.3
71.01272	19.4
72.99168	8.0
75.00754	19.0
78.95784	4.1
82.12141	2.8
85.02824	27.6
87.00760	7.8
88.72430	3.1
89.02319	6.7
95.01283	6.6
96.95901	5.4
99.00751	14.6
113.02336	32.9
117.01816	3.9
229.59958	3.4
249.06114	12.4
267.07318	7.1
279.23233	16.2
281.21960	5.6
281.24893	82.8
282.25131	9.6
410.74524	3.8
447.24771	5.9
531.31787	100.0
532.32257	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	531.3536
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	100.0
61.98723	1.4
71.01251	6.6
71.53289	1.7
73.02802	1.8
83.01287	1.5
85.02839	3.2
89.02290	1.5
101.02326	4.6
113.02309	4.2
113.61999	0.9
115.13272	0.9
161.04436	3.4
187.74706	1.0
262.01636	1.1
267.77823	1.5
313.03647	1.0
329.19464	1.8
398.08188	1.1
438.18173	1.2
471.33252	6.5
489.34357	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	533.1358
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03325	13.8
59.01248	4.8
67.57140	1.5
70.60061	5.1
84.02036	2.3
85.02818	100.0
86.03168	2.9
98.20409	1.9
147.02882	4.2
177.74327	1.9
190.95949	2.3
191.01898	81.4
191.05557	2.9
192.02255	4.6
193.94482	2.1
211.28984	1.6
224.11150	1.6
286.78867	2.2
328.93396	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	533.151
Annotation	Unknow
Peak:m/z	Relative Intensity
50.36100	1.5
53.44926	1.6
57.03310	2.6
57.66779	1.4
59.01245	9.0
59.37647	1.6
71.01256	7.9
71.30015	2.8
72.99171	3.5
75.00742	10.7
75.25876	1.5
83.01250	1.7
85.02808	13.3
87.00768	3.0
99.00740	5.6
101.02365	1.9
113.02349	13.6
117.09654	1.5
121.02842	68.5
122.03164	3.1
175.02325	2.5
249.06105	2.5
411.11279	5.4
515.13965	1.9
533.15082	100.0
534.15405	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	533.2243
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03318	3.4
58.00436	2.2
59.01256	100.0
60.42065	2.1
60.47588	2.1
61.98725	9.6
71.01259	47.5
71.53681	2.4
72.01611	2.4
72.99172	5.7
73.02827	12.1
75.00752	35.8
76.25034	2.2
81.64225	2.1
83.01270	6.0
85.02830	16.9
87.00752	2.9
89.02328	29.0
95.01259	4.0
99.00737	3.2
101.02323	32.4
113.02335	18.6
119.03403	11.8
125.02298	6.6
125.07037	2.3
143.03380	2.9
149.09576	3.8
152.00275	2.0
161.04433	7.3
179.05527	3.8
181.36137	2.1
221.06624	3.4
221.97684	2.1
323.09784	7.3
353.23181	2.9
370.74323	2.0
473.27542	2.5
489.31097	2.2
515.28455	4.4
533.29608	83.1
534.29932	19.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.2242
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03318	3.2
58.00463	4.4
59.01249	100.0
59.62465	1.9
61.98698	6.8
71.01254	66.0
72.99171	6.6
73.02814	14.9
74.64064	2.0
75.00710	2.7
77.88084	1.9
81.03344	2.6
83.01264	7.6
85.02820	18.6
87.00754	5.9
88.44436	1.9
89.02316	55.0
95.01262	5.7
96.95882	1.9
97.02824	7.9
99.00752	2.5
101.02322	45.7
108.08086	2.2
111.00787	2.0
112.37618	1.9
113.02334	24.7
119.03394	26.1
125.02328	14.3
126.41637	1.8
127.40178	1.8
131.03407	4.7
132.04440	3.2
141.52560	2.1
143.03369	7.9
149.04601	4.2
149.09590	13.1
150.05515	7.7
161.04494	10.4
179.05537	17.4
221.06650	12.7
248.93974	2.2
263.07718	4.9
285.12442	5.7
295.03018	1.8
311.10254	2.4
323.09760	35.3
324.09930	2.7
329.11301	10.5
353.23526	2.3
417.38297	2.0
515.16870	2.9
515.28656	4.9
533.17365	4.7
533.29669	96.0
534.30237	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	533.224
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01755	2.7
55.21952	1.0
57.03316	4.1
58.00463	3.6
59.01250	80.0
61.98470	1.0
61.98705	10.4
67.45029	1.2
69.03323	1.9
71.01255	62.4
71.04881	1.9
71.16750	2.3
72.01556	1.4
72.99172	5.3
73.02818	13.6
75.00748	2.8
83.01260	7.2
83.04900	1.2
85.02346	1.7
85.02822	22.9
85.06448	1.2
87.00764	2.5
89.02316	43.5
89.48967	1.1
95.01262	5.9
96.95906	1.4
97.02837	1.5
98.95451	1.3
99.00748	3.9
99.04397	1.7
101.02322	43.8
102.02635	1.5
111.00764	3.1
113.02328	23.9
114.01871	1.6
115.25122	1.2
119.02599	1.2
119.03398	17.6
125.02341	1.9
129.10205	1.3
131.03444	2.0
143.03406	6.7
149.04460	2.2
159.02892	3.4
161.04454	14.2
165.09125	1.3
179.05525	14.1
221.06604	4.7
255.02911	1.7
284.03314	2.6
285.03989	2.3
311.14917	2.7
327.25461	2.8
375.20273	2.7
382.45462	1.0
395.22003	1.1
414.39233	1.1
473.20273	24.2
473.26770	1.6
474.20511	4.1
489.10715	1.3
489.30713	2.8
490.23123	4.4
515.28510	7.1
533.29626	100.0
534.30225	14.1
548.43842	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.2884
Annotation	Unknow
Peak:m/z	Relative Intensity
59.00286	0.7
61.38823	0.7
61.98706	3.9
71.20454	1.1
73.56689	0.8
78.95777	67.3
86.01173	0.7
96.95898	1.3
96.96844	5.3
97.60214	0.7
98.88578	0.7
98.95479	0.9
118.76398	0.8
150.98009	1.2
152.99490	100.0
153.99826	2.0
171.00565	4.5
178.88420	2.1
179.89143	1.8
180.89932	5.1
196.89423	61.0
197.67969	0.7
197.89438	3.5
270.50528	0.8
353.39642	0.8
411.97559	0.8
433.23764	2.7
513.05487	0.8
533.16162	4.3
533.28589	5.0
534.28003	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.2398
Annotation	Unknow
Peak:m/z	Relative Intensity
56.01265	1.9
57.03316	2.7
59.01251	100.0
59.76672	1.8
61.64820	1.9
61.98695	5.6
69.47549	8.9
69.47955	4.9
71.01252	60.6
72.99156	4.2
73.02814	10.9
83.01259	6.3
85.02818	21.3
87.00745	5.0
89.02318	58.3
95.01263	3.2
101.02326	39.3
113.02329	44.0
115.47531	1.8
119.03389	21.7
131.03355	5.7
134.06009	2.7
143.03394	7.2
149.04442	5.7
156.23634	2.2
161.04445	15.8
179.05537	10.0
190.14574	2.0
277.09830	2.2
431.30667	2.0
475.21811	15.4
476.22394	2.8
493.22739	12.8
528.38550	2.2
535.23926	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	535.3124
Annotation	Glidobactin D
Peak:m/z	Relative Intensity
55.01748	1.5
57.03307	3.4
58.00460	1.3
59.01250	55.8
61.98701	61.8
69.03298	1.2
69.41680	6.8
71.01251	38.9
71.04881	1.9
72.99178	2.7
73.02823	8.4
74.34194	1.0
83.01276	5.6
85.02821	15.8
85.06432	1.0
87.00752	2.7
89.02312	20.5
95.01263	1.9
98.19732	2.3
99.00750	3.2
101.02322	22.8
105.28051	1.1
111.00736	2.2
113.02330	12.0
119.03385	7.3
143.03406	1.9
149.02248	1.1
161.04466	7.2
179.05521	4.0
265.43298	1.2
329.27017	1.8
355.24835	1.9
373.25989	2.6
427.45200	1.1
433.24240	1.1
475.21811	3.2
475.29062	6.8
491.32190	2.1
493.30386	1.8
517.30029	6.7
535.31219	100.0
536.31635	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	535.3123
Annotation	Glidobactin D
Peak:m/z	Relative Intensity
50.67648	0.6
53.69353	0.6
55.01765	1.2
57.03310	4.1
57.37830	0.6
58.00463	1.5
59.01250	100.0
60.01604	1.0
61.98705	10.2
69.03342	0.8
71.01254	35.0
71.04881	0.8
71.06561	1.3
72.01623	0.9
72.99168	2.3
73.02818	7.6
83.01265	4.4
83.04917	0.9
85.02825	12.1
86.00002	0.8
87.00758	2.5
87.04401	1.5
89.02320	17.8
89.52228	0.7
95.01251	3.3
97.02811	0.8
98.20352	0.7
99.00783	2.9
101.02327	20.8
102.02672	0.7
111.00804	1.0
113.02328	14.4
119.03403	5.3
125.02312	1.0
134.03719	0.9
142.10712	0.7
143.03415	1.1
143.10750	1.1
155.08139	0.9
159.02924	1.4
161.04466	7.0
179.05583	0.8
193.05002	1.1
251.12918	1.5
270.69125	0.8
271.02591	0.7
271.19037	1.6
304.68552	0.7
313.16818	0.8
314.03964	0.8
329.26907	1.4
331.24960	1.3
337.23892	1.0
348.91132	0.7
355.24875	1.1
373.26221	0.8
415.23355	3.9
433.24283	3.8
434.24832	0.9
465.56039	0.8
475.21518	1.6
475.29205	3.0
476.22168	0.8
491.21597	1.1
491.32410	1.3
517.29944	4.5
535.31329	60.7
536.31653	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	536.1981
Annotation	Unknow
Peak:m/z	Relative Intensity
51.52060	1.0
54.86356	1.3
57.03321	2.6
58.14338	1.1
59.01249	85.5
60.01585	2.2
61.98700	100.0
69.22044	8.1
69.22459	2.6
71.01253	34.3
72.01597	1.5
72.99184	5.5
73.02825	7.1
73.92367	1.1
75.00748	2.3
83.01263	5.1
85.02822	12.0
85.39980	1.2
87.00755	3.5
89.02313	17.6
93.66523	1.2
95.01303	2.9
98.20530	1.9
99.00748	2.2
101.02320	21.8
102.02647	1.7
108.02059	1.6
109.02855	1.7
112.78844	1.1
113.02332	12.0
119.03386	5.8
131.03391	1.4
143.03409	2.4
152.01039	2.2
152.43440	1.3
161.04460	6.7
163.06047	1.3
169.07417	1.2
179.06995	1.7
193.05000	1.4
217.14453	1.6
375.27466	7.5
387.20184	5.1
429.21109	3.3
433.50272	1.5
476.29346	2.2
477.23508	2.2
477.30533	3.4
519.31537	1.5
535.31036	8.4
536.31897	20.5
537.16437	1.9
537.24023	8.5
537.32733	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	537.255
Annotation	Unknow
Peak:m/z	Relative Intensity
51.95542	2.3
55.01751	2.8
55.21483	2.3
58.00479	3.3
59.00949	4.8
59.01250	100.0
61.98711	10.3
68.59747	2.2
69.03330	3.8
69.33190	5.9
69.33618	13.6
71.01251	92.8
72.99184	8.1
73.02813	15.1
75.00739	3.8
83.01271	9.7
83.84103	2.1
85.02818	22.1
86.00568	2.4
87.00747	8.6
88.82552	2.7
89.02314	87.0
95.01249	4.7
97.02817	5.0
98.19740	4.6
98.20448	7.3
99.00758	10.0
99.04419	2.4
101.02315	70.4
104.32523	2.3
111.00748	2.6
112.29836	2.7
113.02323	37.3
114.06359	2.1
119.03386	33.6
119.59631	2.5
121.93953	2.6
125.02333	19.2
131.03398	9.0
135.04443	3.3
136.82686	2.3
143.03409	9.1
149.04428	4.7
159.03065	2.7
161.04494	22.7
167.10667	16.7
179.05539	62.7
191.26941	2.8
221.06612	23.3
250.03897	2.3
287.22266	8.1
323.09766	22.5
324.10178	4.2
477.23438	34.9
478.23764	4.9
537.24951	3.2
537.33759	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	538.1415
Annotation	Unknow
Peak:m/z	Relative Intensity
52.05546	0.9
59.01253	1.8
61.98703	100.0
69.63865	3.1
70.59022	0.9
71.01252	1.6
79.20956	0.8
87.00740	2.9
89.02294	1.0
97.02808	0.9
98.20538	1.2
111.00766	25.8
119.03387	1.1
123.33814	0.9
173.00812	2.4
206.69580	0.8
264.75531	0.9
301.06628	0.9
493.13077	0.8
539.19720	2.2
543.89087	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.2716
Annotation	Murrastifoline C
Peak:m/z	Relative Intensity
55.01752	1.0
57.03066	0.6
57.03313	2.7
58.00462	1.8
59.01257	59.4
60.01581	0.6
61.98712	3.8
69.03314	0.7
70.55449	1.6
71.01262	28.4
71.04879	0.8
72.99174	2.5
73.02824	6.9
75.00753	7.2
81.03275	0.6
83.01266	4.3
85.02835	10.0
86.03209	0.7
87.00771	2.7
87.04400	1.3
89.02328	16.0
93.03279	0.5
95.01250	1.6
97.02841	0.8
98.20222	1.0
99.00798	2.9
101.02335	22.3
109.02859	0.8
111.00751	2.4
113.02341	10.0
119.02664	0.5
119.03398	3.3
121.02773	0.6
123.08075	0.7
125.02332	1.9
129.01872	0.7
131.03400	5.4
134.03609	0.7
143.03403	1.6
149.04456	1.6
152.01091	0.6
153.09132	0.7
157.12254	1.2
159.02878	0.9
161.04482	2.8
173.11743	1.4
179.05531	1.3
187.13292	2.0
193.04953	1.5
197.87529	0.5
217.14354	0.8
233.06711	0.5
262.35858	0.5
277.58884	0.6
347.20688	3.2
377.29123	9.3
378.29391	1.4
479.25122	6.7
480.25021	1.1
488.70737	0.6
509.48032	0.6
521.26050	0.9
539.26984	100.0
539.34460	46.1
540.27307	16.0
540.34900	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	539.2863
Annotation	Phoenistatin
Peak:m/z	Relative Intensity
50.51593	0.8
59.01254	27.2
61.98722	1.8
71.01261	10.6
71.53601	1.2
73.02814	6.2
83.01247	2.1
85.02824	4.0
85.03284	0.9
87.00777	1.0
89.02321	4.7
101.02341	10.9
105.18099	0.9
113.02338	5.3
119.03384	2.0
125.02312	1.2
133.13754	0.8
161.04442	1.9
179.05540	2.1
185.31932	0.8
224.92506	0.9
241.34149	1.0
252.68042	0.9
275.14185	0.9
317.21185	11.9
317.75534	0.9
318.21713	1.2
335.22287	29.4
336.22565	2.9
347.22134	1.6
479.26529	53.6
480.26883	8.6
492.73441	1.0
497.27634	39.0
498.28058	7.7
518.93268	0.9
539.28589	100.0
540.29022	20.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.0993
Annotation	Unknow
Peak:m/z	Relative Intensity
52.27315	2.1
57.03298	2.7
59.01248	21.5
61.98701	100.0
63.56876	2.7
71.01260	14.6
72.99201	2.9
73.02811	2.7
75.00747	5.2
83.01241	2.2
85.02824	4.3
89.02314	7.1
90.53807	2.3
91.08197	1.8
91.69572	2.3
96.95840	2.8
98.19784	8.0
101.02313	8.9
102.69337	2.0
108.80983	2.0
113.02340	5.4
119.03374	3.9
134.03648	5.6
151.00186	2.2
152.07025	4.3
193.04959	6.9
199.03833	3.0
227.03491	2.5
229.62355	2.7
242.02122	3.3
243.02957	29.7
257.04547	7.8
270.01724	5.8
271.02405	23.0
285.03961	12.2
286.04874	5.4
299.01892	8.4
300.02853	3.8
314.04318	46.0
315.05035	14.3
357.14438	2.4
377.28897	3.7
416.24646	2.3
477.10355	94.8
478.10648	13.5
508.17941	3.4
539.34265	25.4
540.34583	8.4
541.19360	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	540.0997
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	70.7
61.98705	100.0
67.60831	5.4
70.27051	18.1
71.01250	45.9
73.02843	12.2
74.64642	5.9
75.00737	23.3
83.01285	13.2
84.65007	5.8
85.02821	11.6
87.04387	6.9
89.02314	25.6
101.02334	34.0
113.02315	14.5
116.16344	5.5
119.03439	14.0
119.04922	10.2
120.05210	10.4
120.35788	5.6
134.03613	19.4
137.02257	6.0
143.06996	8.2
143.90506	5.8
160.64322	7.2
164.04565	6.2
178.02702	6.2
193.05022	37.2
215.24953	5.8
243.02861	25.2
248.60576	5.2
271.02557	20.7
285.04059	11.1
299.01999	8.5
302.77609	6.2
314.04358	39.1
315.04929	14.3
377.29025	17.2
378.29138	6.2
477.10327	93.5
478.10742	16.5
539.34412	81.2
540.35065	55.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.2301
Annotation	Unknow
Peak:m/z	Relative Intensity
53.45366	0.3
59.01251	5.4
61.98702	100.0
65.06944	0.3
71.01262	1.8
71.07232	0.3
73.02817	0.6
78.95789	0.5
85.02834	0.8
89.02335	1.1
101.02336	1.2
113.02324	0.4
119.03400	0.4
161.04488	0.5
461.14499	0.3
541.30725	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.1928
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03324	1.1
59.01255	17.8
61.98700	8.5
69.25537	9.1
71.01250	5.3
73.02820	2.8
81.03316	1.2
83.01244	1.3
85.02827	4.0
85.39626	0.9
89.02316	1.7
95.01259	2.9
96.95889	1.1
101.02319	2.7
101.14590	0.9
108.02051	47.1
109.02851	31.6
113.02347	2.0
123.00749	2.7
125.02315	1.4
139.11162	6.2
151.03896	1.3
152.01056	53.5
153.01855	20.7
154.02217	1.1
183.10178	8.6
225.11267	2.9
249.11880	1.1
456.92889	1.1
479.19012	2.2
480.19650	1.2
481.16959	3.5
497.20300	5.5
523.18091	2.5
540.34619	1.8
541.19244	100.0
542.19531	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	541.25
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00451	3.4
59.01249	54.3
61.98697	40.1
62.41824	2.7
69.03326	2.9
71.01254	52.5
71.55982	3.0
72.99181	4.6
73.02836	14.0
75.00750	3.9
80.28476	2.7
81.03313	3.0
83.01244	3.9
85.02833	10.5
87.00737	2.9
89.02315	55.3
90.02638	3.2
96.95914	4.9
98.20669	5.4
99.00755	19.7
99.04425	5.2
101.02328	33.5
102.02672	3.5
104.83635	3.2
113.02339	10.8
113.19035	3.0
115.03908	4.0
119.03383	6.4
125.02367	5.3
128.92931	3.0
131.03377	5.1
143.03381	3.4
149.04457	36.4
151.00459	3.0
153.28296	2.8
160.03941	32.4
161.04468	7.2
178.04056	2.6
185.71901	2.6
191.05594	5.4
193.05008	3.4
233.06677	4.6
251.07635	3.3
271.02521	6.3
272.02890	4.1
293.08813	3.5
294.07648	3.3
300.02530	7.5
301.02670	3.2
311.09909	3.6
314.04208	4.1
315.04749	9.1
316.05240	4.7
334.66748	3.2
334.74069	3.1
349.18661	7.2
360.03104	3.3
366.08270	5.9
378.29514	3.8
478.10580	30.6
479.11093	4.9
481.22830	100.0
482.23267	10.8
540.34662	14.4
541.35217	21.2
542.12909	6.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.25
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00451	3.4
59.01249	54.3
61.98697	40.1
62.41824	2.7
69.03326	2.9
71.01254	52.5
71.55982	3.0
72.99181	4.6
73.02836	14.0
75.00750	3.9
80.28476	2.7
81.03313	3.0
83.01244	3.9
85.02833	10.5
87.00737	2.9
89.02315	55.3
90.02638	3.2
96.95914	4.9
98.20669	5.4
99.00755	19.7
99.04425	5.2
101.02328	33.5
102.02672	3.5
104.83635	3.2
113.02339	10.8
113.19035	3.0
115.03908	4.0
119.03383	6.4
125.02367	5.3
128.92931	3.0
131.03377	5.1
143.03381	3.4
149.04457	36.4
151.00459	3.0
153.28296	2.8
160.03941	32.4
161.04468	7.2
178.04056	2.6
185.71901	2.6
191.05594	5.4
193.05008	3.4
233.06677	4.6
251.07635	3.3
271.02521	6.3
272.02890	4.1
293.08813	3.5
294.07648	3.3
300.02530	7.5
301.02670	3.2
311.09909	3.6
314.04208	4.1
315.04749	9.1
316.05240	4.7
334.66748	3.2
334.74069	3.1
349.18661	7.2
360.03104	3.3
366.08270	5.9
378.29514	3.8
478.10580	30.6
479.11093	4.9
481.22830	100.0
482.23267	10.8
540.34662	14.4
541.35217	21.2
542.12909	6.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.3247
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01256	2.9
60.99179	13.4
61.98703	1.0
66.85809	0.4
68.81585	0.5
69.43445	0.4
71.01247	1.2
72.99173	1.1
75.00752	1.0
78.05122	0.4
85.02863	0.7
87.00764	0.9
88.00267	5.3
88.12188	0.4
88.98682	100.0
89.02323	11.5
89.99014	1.3
90.01862	1.7
96.95900	1.9
101.02303	0.8
109.58421	0.5
113.02308	1.0
129.11005	0.4
129.65317	0.5
157.28654	0.6
225.15952	0.6
348.44586	0.5
422.32925	0.5
435.05997	0.5
449.31357	1.7
451.32660	0.7
465.30811	1.1
471.66550	0.6
515.80945	0.5
517.78534	0.6
541.35333	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.1361
Annotation	Scytonemin
Peak:m/z	Relative Intensity
57.03314	1.6
59.01256	4.7
65.25039	1.2
68.99675	4.2
69.74210	5.7
71.01256	8.4
73.02822	2.7
75.00752	2.6
83.01260	2.7
85.02839	8.8
87.00750	2.8
89.02325	2.1
95.01287	1.9
96.92171	1.2
96.95881	1.8
97.02814	1.4
99.00766	7.9
101.02335	4.1
111.00787	3.4
113.02328	10.5
113.99488	22.1
115.00275	13.3
125.02323	1.3
127.00291	3.8
129.01855	4.4
134.03670	5.2
139.00293	1.6
139.10123	1.1
141.01807	1.7
146.22890	1.5
147.04424	1.7
149.02362	13.3
149.05974	1.4
157.01349	8.1
164.04710	14.9
169.01318	3.1
174.01633	20.7
175.02164	1.5
178.02650	2.3
179.07031	2.0
193.04979	10.5
205.05055	1.6
205.77739	1.4
223.06082	9.7
262.40338	1.2
273.20142	1.2
277.05679	44.0
278.05817	1.7
337.07797	100.0
338.08185	7.3
345.15390	2.2
355.10406	1.3
358.11880	1.4
368.13788	1.3
483.11533	6.5
543.13580	88.1
544.13843	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	543.2809
Annotation	Unknow
Peak:m/z	Relative Intensity
54.78639	2.4
57.03328	52.2
59.01253	100.0
59.52644	2.5
61.98695	3.6
65.30509	2.6
67.82339	2.1
70.91573	7.3
71.01270	18.9
73.02814	7.3
80.50010	2.4
85.02815	9.7
89.02318	8.5
92.02831	3.0
99.04391	56.1
101.02319	26.5
113.02322	9.1
119.03380	2.7
125.02328	17.7
142.80313	2.6
143.03384	5.8
161.04451	5.7
259.82251	2.6
265.08060	3.1
289.18106	13.8
307.19333	6.4
363.03494	2.7
399.23782	13.1
441.24765	5.6
483.29614	4.5
543.28101	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	543.3397
Annotation	Unknow
Peak:m/z	Relative Intensity
55.10994	8.8
59.01240	40.2
61.98704	56.7
71.01253	20.3
72.99178	91.2
75.00747	22.3
81.03332	11.1
83.04887	39.3
84.23135	7.7
88.98678	80.7
89.02309	29.3
89.99014	16.4
90.01853	30.2
90.99079	10.6
91.00243	30.8
108.37775	8.9
113.02258	12.4
116.92752	15.3
159.83185	8.5
165.35271	7.2
207.14967	12.6
224.17738	9.5
225.16084	27.9
226.67798	10.5
252.88356	8.4
333.22833	17.4
447.29749	25.4
448.29953	9.2
449.31320	52.7
450.31531	21.3
451.32843	100.0
452.33206	18.7
465.30643	27.3
466.30902	10.8
472.15482	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	545.297
Annotation	Unknow
Peak:m/z	Relative Intensity
58.27457	0.9
59.01253	9.4
68.84922	0.7
69.82378	3.7
71.01275	5.9
73.02849	1.3
85.02834	1.8
87.00742	1.6
89.02317	5.0
95.01250	1.0
95.04933	0.8
97.02825	1.3
97.06478	1.2
101.02312	5.4
113.02355	2.4
113.09586	1.4
115.07524	0.9
128.66606	0.7
141.09103	1.0
161.04485	3.0
165.12819	2.4
167.14290	1.7
181.12262	2.7
187.05818	0.8
193.12341	1.7
195.13870	2.5
197.11736	1.2
211.13348	3.0
221.15518	1.2
231.36517	0.8
247.20654	3.7
253.09273	21.2
273.18604	2.1
281.21198	1.1
291.19662	34.3
292.19989	3.5
309.20728	100.0
310.21121	10.5
545.29651	11.0
546.29950	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.2965
Annotation	Unknow
Peak:m/z	Relative Intensity
50.41061	1.3
51.72843	1.4
52.03599	1.3
57.03315	2.6
59.01254	42.6
61.98705	2.8
65.45883	1.4
69.95251	5.7
71.01252	15.4
73.02821	3.2
74.17376	1.3
78.95767	1.4
80.16694	1.2
81.00055	1.4
83.01279	1.4
85.02834	3.7
87.00762	2.6
89.02315	13.8
95.01216	1.8
101.02341	12.6
110.45935	1.3
111.08033	20.0
112.76775	1.3
113.02320	8.6
119.03405	4.0
128.65894	1.3
136.63440	1.3
143.03400	1.6
161.04475	4.7
169.12230	6.0
179.05527	1.7
197.11757	93.6
198.12085	4.9
199.13309	5.4
211.13353	8.2
253.09254	51.5
254.09509	3.0
263.20114	4.6
265.18231	2.1
291.19656	35.1
292.20010	3.3
309.20712	100.0
310.21103	13.1
319.92099	1.5
485.30707	1.7
545.29279	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	545.2967
Annotation	Unknow
Peak:m/z	Relative Intensity
52.09224	0.5
54.15085	0.5
57.03323	0.9
59.01252	31.4
60.01574	0.7
61.98699	0.7
71.01253	7.8
71.78240	0.6
73.02818	1.3
79.95235	0.5
83.01264	1.3
85.02809	2.6
89.02312	5.7
96.28218	0.6
99.00703	0.6
101.02322	7.2
109.06474	0.6
111.08061	1.3
113.02338	4.1
119.03379	1.4
127.11201	1.4
143.03409	0.6
151.07724	0.4
151.11157	0.8
153.12732	3.1
154.83922	0.6
155.10730	1.1
161.04427	2.9
165.12784	1.1
167.10626	0.8
179.05475	1.2
179.14348	1.3
181.12271	3.4
196.65170	0.6
197.11783	1.4
207.13855	2.1
215.12798	1.3
227.12782	1.0
241.14264	0.9
247.20763	3.2
253.09273	18.5
254.09633	0.9
263.20416	0.6
265.21744	0.7
273.18472	2.6
281.21176	1.0
291.19678	23.0
292.20062	2.1
309.20712	100.0
310.21063	8.7
443.76776	0.6
503.32370	1.5
545.29535	11.3
546.30023	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.1673
Annotation	Sparanoside B
Peak:m/z	Relative Intensity
59.01267	7.9
61.98709	2.4
67.01761	1.3
69.63875	5.5
71.01261	8.9
72.99181	1.2
73.02835	1.8
83.01255	3.0
85.02380	1.9
85.02840	12.8
87.00779	2.2
89.02322	3.3
90.14672	1.2
91.24677	1.3
95.01260	1.8
101.02337	2.9
111.00813	1.5
113.02327	9.8
121.02854	100.0
122.03186	4.2
122.08674	1.2
139.00320	2.2
149.02397	2.1
164.04770	1.5
186.34532	1.3
189.80649	1.5
190.02611	1.7
193.01323	1.5
208.03735	2.7
223.06021	4.9
250.81818	1.5
265.07175	2.5
393.10425	1.5
425.13077	4.4
515.14093	3.8
547.16754	70.4
548.17212	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	547.3129
Annotation	Unknow
Peak:m/z	Relative Intensity
55.87883	1.0
57.03322	1.1
59.01248	7.3
61.98703	3.3
62.22038	1.0
70.50042	3.7
71.01253	3.0
71.04897	2.8
81.10957	1.1
86.80075	1.2
89.02325	3.2
90.37313	1.0
101.02338	4.5
101.08734	1.0
105.93306	1.0
113.02390	1.8
125.09637	1.2
127.11189	1.7
144.35170	1.1
161.04439	1.3
171.10205	3.6
209.11697	1.5
214.55684	1.0
246.39328	1.1
253.09285	17.0
254.09619	1.4
283.10742	1.1
293.21100	2.3
309.20950	1.1
310.20840	2.1
311.22278	100.0
312.22665	11.7
431.17889	1.1
547.30945	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.3122
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	7.4
61.98697	1.5
66.80995	0.7
69.93231	3.1
71.01236	3.8
78.85464	0.8
83.92402	0.8
85.02824	1.4
89.02335	3.3
101.02322	3.4
113.02356	2.3
115.07494	1.2
119.03371	1.0
161.04437	1.6
164.03436	0.9
167.14351	2.4
178.64864	0.8
183.13919	1.3
183.76270	0.9
195.13835	7.3
213.14793	1.1
235.87885	0.9
253.09254	14.9
267.23233	0.9
293.21246	6.8
293.40662	0.9
311.22287	100.0
312.22620	11.6
394.49252	1.1
547.31140	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	547.3491
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01760	0.6
55.77784	0.2
57.03321	1.5
58.00467	0.5
59.01254	100.0
60.01592	1.0
61.98701	4.1
68.99698	0.3
69.03352	0.3
69.49222	1.6
70.65627	0.3
71.01257	18.6
72.01588	0.3
72.99191	0.8
73.02821	4.9
75.00756	0.4
83.01265	3.0
85.02829	9.6
85.99998	0.5
86.03165	0.3
87.00780	0.9
89.02324	3.6
89.79245	0.3
94.83988	0.4
95.01257	2.0
97.02847	0.7
97.06485	0.2
98.20628	0.3
99.00769	2.1
101.02331	11.4
111.00792	1.2
113.02338	11.2
113.11993	0.3
115.04002	0.3
119.03436	1.0
121.10134	2.3
124.01553	0.3
125.02336	1.3
125.09509	0.2
125.84653	0.2
129.01857	0.5
141.01839	0.3
143.02472	0.3
143.03387	1.3
159.02927	0.9
161.04488	6.7
161.23921	0.3
167.75124	0.3
179.05577	0.3
185.15308	1.3
205.03586	0.4
244.52565	0.3
250.90768	0.3
267.53589	0.2
291.83224	0.2
317.84076	0.3
325.27618	0.7
329.19708	2.4
341.27151	0.3
343.28445	1.8
347.20700	2.7
422.16806	0.3
427.30682	0.4
439.30908	0.4
451.31082	0.3
457.31973	0.4
458.32083	0.3
469.32141	0.4
487.32788	28.3
488.33224	5.3
505.33884	15.8
506.34232	2.4
547.35291	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.3488
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01761	0.8
57.03325	1.1
58.00466	0.6
59.01251	100.0
60.01585	1.2
61.24479	0.3
61.98709	0.9
67.01767	0.2
69.03345	0.5
71.01254	20.2
71.45029	0.3
72.01634	0.2
72.99193	0.7
73.02814	5.2
74.00714	0.2
75.00768	0.2
83.01256	2.9
85.02825	8.8
87.00744	1.3
89.02319	5.9
89.02830	0.4
95.01263	1.9
97.02837	0.8
99.00758	2.5
101.02325	11.5
102.02699	0.5
111.00792	1.0
112.01646	0.3
113.02331	10.2
119.03407	2.3
121.97659	0.2
125.02342	1.2
129.01849	0.6
131.03391	0.5
143.03423	1.9
149.04465	0.5
159.02873	1.4
161.04471	6.6
179.05522	3.2
197.15469	0.3
205.12260	0.4
213.18651	1.0
221.06677	0.9
225.84572	0.3
261.10626	0.2
264.39673	0.2
321.34515	0.3
325.27631	1.1
343.17728	0.6
343.28598	1.5
347.21024	0.7
457.32053	0.3
469.31705	4.4
470.32397	0.9
487.32748	30.0
488.33075	5.3
488.39581	0.3
505.22818	0.7
505.33841	12.2
506.34271	1.9
547.25043	0.8
547.35535	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.3486
Annotation	Unknow
Peak:m/z	Relative Intensity
54.51888	0.2
55.01763	1.3
57.03318	1.2
58.00481	0.3
59.01250	100.0
60.01589	1.2
61.98697	0.6
69.03329	0.3
71.01253	18.2
71.08157	0.5
72.01584	0.5
72.99181	0.6
73.02822	5.4
73.03236	0.3
75.00742	0.3
77.43870	0.3
83.01257	2.7
84.02058	0.5
85.02821	9.1
87.00739	0.9
89.02313	3.9
95.01291	1.7
97.02838	0.9
97.69587	0.3
99.00761	2.3
101.02324	10.3
101.02993	0.5
111.00775	1.1
113.02332	8.6
119.03407	1.2
125.02353	0.9
129.01903	0.3
131.03419	0.3
143.03386	1.5
148.31049	0.2
159.02939	1.2
161.04469	7.2
171.39716	0.2
173.35974	0.3
179.05629	0.9
197.15488	0.5
199.13304	0.4
213.18578	1.7
231.20497	0.3
271.22687	0.3
313.27600	0.4
325.27597	1.4
343.17831	0.5
343.28531	1.6
347.20728	0.6
384.24030	0.3
425.73160	0.3
457.31918	0.5
469.31766	5.1
470.32083	0.8
487.32748	31.9
488.33069	4.7
488.39746	0.3
505.22552	0.7
505.33823	13.6
506.33981	2.1
547.34814	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.1035
Annotation	Unknow
Peak:m/z	Relative Intensity
54.04016	0.2
59.01249	0.3
59.75874	0.2
64.90939	0.2
69.95278	0.7
77.03830	1.6
78.95760	0.3
93.03328	0.5
93.05892	0.2
98.19878	0.2
121.02843	100.0
122.03180	3.9
137.02361	0.3
147.04420	0.4
152.18213	0.2
152.99516	0.3
165.01842	52.2
166.02188	2.3
167.08652	0.2
180.05678	0.3
181.06528	2.6
181.57506	0.2
182.06776	0.2
197.05992	2.5
207.04465	0.9
207.08070	0.2
223.04012	0.4
225.05530	1.7
251.07095	0.2
257.09698	0.7
285.09271	0.3
313.07141	1.6
314.07349	0.2
357.06134	0.6
383.07626	0.5
417.09671	1.8
418.10126	0.4
505.11606	1.8
506.11865	0.3
549.10400	24.6
550.10736	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.1465
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03336	3.0
59.01262	13.2
61.07327	2.6
71.01266	16.1
71.53221	3.1
72.99191	5.0
73.02794	3.6
75.00755	9.6
85.02838	22.6
87.00729	6.7
89.02311	5.7
93.03339	41.9
95.01246	3.8
99.00768	7.0
99.08819	3.2
101.02335	5.6
113.02342	16.6
121.02844	11.3
129.01846	4.1
137.02359	74.5
138.02682	4.6
191.01950	3.9
191.34235	2.5
193.04927	5.1
217.75377	2.6
249.06143	10.0
262.81082	2.5
272.89392	2.8
371.09903	18.8
411.11444	4.5
429.12735	4.8
531.13953	2.9
549.14661	100.0
550.14410	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	549.1827
Annotation	Unknow
Peak:m/z	Relative Intensity
58.11651	2.4
59.01245	5.7
69.38624	14.7
69.59195	2.0
71.01235	5.1
89.02318	6.1
96.03580	2.2
103.25746	2.5
105.94616	2.4
113.02314	2.5
119.03392	3.5
122.03596	3.3
132.26006	2.5
134.12364	2.3
150.03131	100.0
151.03435	5.2
153.80760	2.3
165.05489	79.5
166.05879	2.4
169.73293	2.5
204.23445	2.5
323.09891	5.5
418.64655	2.6
436.66690	2.5
441.05219	2.5
477.32260	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	549.2189
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00471	6.8
58.07834	4.6
59.01249	100.0
61.98703	5.1
71.01249	97.0
71.53431	5.3
72.99174	7.8
73.02819	17.3
83.01260	7.1
85.02804	31.6
87.00742	9.3
89.02320	86.6
91.01771	6.3
95.01241	7.8
96.95910	6.6
101.02325	69.7
113.02331	33.2
119.03411	26.3
125.02354	19.6
128.16922	5.6
131.03403	20.1
143.03394	13.4
149.04460	23.8
161.04472	16.3
165.09093	17.7
170.13362	6.3
179.05513	15.5
191.05507	6.3
221.06621	11.9
323.09781	30.9
357.09601	6.5
357.15421	18.8
387.20020	7.4
489.19797	58.8
490.19910	13.5
549.25708	17.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.2552
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01746	0.9
59.01250	100.0
60.01594	1.9
61.98703	2.7
70.68690	1.7
71.01257	12.6
72.99206	0.8
73.02806	4.2
75.00771	0.7
80.89462	0.7
83.01272	1.8
85.02818	5.6
87.00735	3.7
89.02312	6.4
89.02754	0.7
97.02860	1.2
99.00771	1.8
101.02333	7.2
111.00749	1.5
113.02348	5.2
125.02332	1.1
130.36984	0.8
131.03400	2.5
149.04483	1.4
159.02960	0.9
161.04483	3.3
202.22804	0.7
293.17761	1.1
315.18356	1.7
429.21271	4.6
447.22360	22.4
448.22668	2.0
467.70795	0.7
489.23587	1.8
489.33859	1.9
549.32080	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.2552
Annotation	Unknow
Peak:m/z	Relative Intensity
55.99303	0.8
59.01251	100.0
60.01581	1.1
60.93958	0.8
61.98693	3.3
69.33502	6.8
71.01246	12.6
72.99172	1.3
73.02812	4.1
78.95748	0.8
80.10235	0.8
83.01250	1.5
85.02822	6.7
89.02304	3.8
92.80870	1.0
95.01273	1.6
98.19962	2.8
99.00761	1.6
101.02326	8.1
113.02351	7.4
125.02360	1.2
131.03362	1.9
143.03381	1.2
149.04437	0.9
158.71783	0.8
161.04469	3.3
188.46748	0.9
191.03397	0.9
215.05412	1.2
219.57452	0.9
229.94690	0.9
241.30284	0.9
252.84505	1.0
274.59818	0.8
315.18143	3.3
344.72162	0.8
429.21164	3.0
447.22351	11.3
448.22629	1.8
489.23566	2.0
489.34375	9.1
507.35370	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.3646
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01748	1.1
55.08138	0.2
57.03327	1.7
58.00460	0.7
59.01250	100.0
60.01590	1.2
61.98696	1.8
67.00403	0.2
69.03319	0.5
69.37892	1.4
69.38308	0.5
71.01254	16.3
72.01595	0.4
72.99186	0.8
73.02815	4.4
75.00740	0.3
83.01255	2.7
83.86441	0.2
85.02823	9.0
85.99975	0.4
86.03138	0.3
87.00766	1.0
89.02315	2.9
90.58449	0.2
93.03371	0.4
95.01260	1.9
95.99377	0.2
97.02833	0.8
98.19743	0.4
99.00758	2.6
101.02324	8.5
111.00786	0.9
112.01560	0.3
113.01544	0.5
113.02327	9.4
115.03926	0.4
118.42677	0.2
119.03418	0.8
124.01547	0.4
125.02327	1.1
125.09593	0.2
126.93884	0.3
129.01817	0.4
143.03416	1.4
159.02888	0.9
161.04457	3.9
185.15388	0.7
299.25967	1.3
328.90454	0.3
345.30109	4.0
346.30316	0.5
429.21286	1.3
441.32208	0.3
447.22324	1.5
448.22507	0.3
453.32452	0.3
459.33249	0.6
489.34320	37.2
490.34674	7.0
507.35352	19.5
507.43219	0.5
508.35715	3.7
549.36798	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.1773
Annotation	Alboside I
Peak:m/z	Relative Intensity
59.01251	4.2
61.98706	14.0
69.38440	10.6
71.01269	5.1
75.05152	1.5
77.23154	1.5
81.80541	1.5
85.02831	2.4
87.00727	1.5
89.02321	4.8
98.20037	6.0
98.60368	1.5
101.02350	3.4
104.99523	1.4
113.02319	2.6
116.21313	1.4
121.02850	4.9
122.03680	3.7
126.52523	1.6
134.03632	35.3
134.20888	1.3
137.02347	5.5
139.03883	2.0
149.02362	8.3
149.06004	12.6
150.03139	29.5
151.03616	1.7
161.75072	1.4
165.05504	36.1
166.05904	1.8
178.02628	22.5
179.02956	1.5
179.05556	2.7
180.04236	2.8
181.86121	1.5
193.05006	100.0
194.05347	6.7
195.06578	25.0
228.38377	1.5
262.56012	1.4
341.10300	3.5
389.12445	5.4
397.37576	1.4
470.27960	1.6
491.21066	2.2
551.17957	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	551.3436
Annotation	Unknow
Peak:m/z	Relative Intensity
54.05774	1.9
56.31116	1.9
59.01247	14.1
71.01238	3.0
71.09222	3.9
89.02297	2.3
96.15875	2.1
96.89367	1.9
101.02299	3.6
113.02380	2.7
235.08121	2.4
240.43742	2.0
253.09358	11.6
255.23276	100.0
256.23599	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	551.3433
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01255	16.1
59.01504	3.5
69.30580	8.8
69.30996	12.6
71.01235	3.2
76.74749	2.8
98.19711	5.4
101.02318	4.7
103.75663	2.7
148.32228	2.7
253.09317	11.1
255.23294	100.0
256.23633	9.1
259.12100	2.8
261.40991	3.0
370.91971	2.6
384.67203	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	552.2863
Annotation	Unknow
Peak:m/z	Relative Intensity
51.13490	0.6
53.46585	0.5
59.01246	1.7
61.98716	0.7
65.93880	0.7
70.59380	1.6
78.95766	7.9
95.04913	0.5
109.10113	0.5
122.98306	0.7
147.17812	0.5
152.99452	1.3
168.04240	1.5
203.17990	0.5
224.06918	1.4
230.28261	0.6
242.07874	3.7
277.21713	100.0
278.22067	11.5
375.77896	0.6
410.99228	0.6
502.29391	33.8
503.29730	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	553.2499
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01767	0.3
57.03312	0.3
59.01251	5.3
60.99160	0.3
61.98705	2.8
63.06097	0.2
69.31919	0.5
69.32316	1.5
71.01249	6.8
72.99174	2.3
73.02824	1.4
75.00745	100.0
76.01091	1.1
83.01231	0.6
85.02812	2.4
87.00766	0.3
89.02315	3.0
95.01258	0.5
97.02818	0.5
99.00783	0.6
101.02330	4.9
111.00777	0.3
113.02332	3.1
119.03403	1.4
125.02314	0.4
131.03386	0.3
143.03409	0.5
145.65582	0.2
158.06210	0.2
161.04480	2.4
175.03920	0.3
179.05505	1.8
221.06693	0.5
331.17526	1.6
337.04663	0.2
346.46371	0.3
388.67844	0.3
477.23550	0.8
493.22882	6.3
494.23401	0.8
553.27789	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.2501
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03323	3.5
58.00475	3.6
59.00951	5.0
59.01249	100.0
61.98708	5.0
71.01254	77.0
72.99193	3.9
73.02809	18.4
75.00752	4.9
83.01253	7.5
84.47203	2.5
85.02838	21.3
86.08376	2.9
87.00744	9.9
89.02314	42.7
95.01241	4.9
98.19804	5.1
98.20490	9.9
99.00774	4.6
99.18756	2.7
101.02319	56.1
102.31128	3.3
113.02331	32.9
119.03386	19.6
125.02356	4.2
131.03424	9.5
134.03558	3.6
143.03366	8.2
149.04404	4.0
159.02911	3.9
161.04489	20.8
179.03152	2.8
179.05522	29.0
187.13318	5.3
193.05051	3.8
203.05646	4.6
221.06635	25.2
263.07809	6.3
283.15515	3.7
303.21561	3.9
314.71304	3.1
316.99893	2.7
331.17612	8.7
349.18668	24.6
391.19629	31.1
499.80396	3.0
511.23941	33.8
512.23859	7.1
553.24298	28.0
553.33636	20.6
554.24725	3.1
582.93274	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	553.2509
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00444	4.9
59.01255	89.8
61.98701	14.5
71.01258	100.0
72.99191	8.5
73.02810	22.5
75.00761	5.3
79.72880	4.7
83.01258	9.3
85.02830	26.7
87.00749	10.0
89.02325	86.1
98.20176	33.8
99.00768	6.7
101.02335	64.4
101.77010	5.4
113.02337	33.7
119.03403	35.9
131.03415	5.0
143.03444	9.6
159.02930	6.1
161.04492	27.1
179.05536	61.3
183.07208	4.8
193.04930	6.4
221.06630	18.5
252.47139	5.0
329.11353	5.6
331.17386	10.8
339.63593	5.3
458.43524	6.8
483.64392	5.2
493.22946	55.2
494.23434	10.1
553.32397	38.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.2505
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01751	4.7
57.03311	3.5
58.00471	3.7
59.01252	100.0
61.98701	2.9
63.35414	1.1
69.03318	1.8
70.69040	1.8
71.01255	96.2
72.01584	1.5
72.99181	5.7
73.02820	20.3
75.00729	2.1
81.03349	1.3
83.01263	9.8
85.02824	30.1
85.99959	1.5
87.00755	5.6
88.98695	3.9
89.02319	82.5
90.02648	2.1
92.34600	1.3
95.01265	6.4
97.02818	3.4
98.19836	1.3
99.00748	5.0
101.02323	73.0
102.02666	1.6
110.31734	1.2
113.02335	30.2
119.03392	28.7
125.02322	6.7
131.03415	9.1
135.29192	1.2
143.03386	10.3
149.04492	2.3
159.02893	3.3
161.04465	26.9
165.01842	1.2
179.05531	64.0
180.05908	1.8
210.65936	1.4
221.06602	20.5
221.82349	1.3
263.07382	1.2
268.26746	1.2
300.02588	1.8
301.03308	1.5
303.21765	1.4
323.09842	5.6
331.17572	3.1
440.97681	1.5
463.08722	2.6
465.25525	1.3
493.22928	55.2
494.23315	8.4
553.32489	19.3
554.32336	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.209
Annotation	Unknow
Peak:m/z	Relative Intensity
51.85097	0.1
55.35955	0.1
59.01250	1.5
61.98702	100.0
62.98413	0.2
62.99130	0.1
71.01250	0.6
71.04351	0.1
71.08981	0.2
73.02821	0.3
75.00738	0.3
83.04875	0.1
85.02835	0.2
85.84383	0.1
89.02320	0.5
94.21622	0.1
95.01291	0.1
96.95863	0.2
97.02879	0.1
101.02339	0.3
113.02333	0.3
119.03394	0.1
125.02315	0.1
140.76521	0.1
159.65318	0.1
167.10699	0.1
201.49045	0.1
234.04810	0.1
304.11038	0.1
375.21021	0.1
414.99939	0.1
476.71790	0.1
535.83417	0.1
543.85309	0.1
554.27545	0.1
555.28003	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.3014
Annotation	Unknow
Peak:m/z	Relative Intensity
56.76667	0.2
59.01245	1.0
61.98694	0.4
71.53409	0.4
78.95779	6.5
87.93736	0.3
96.95776	0.2
152.99483	0.9
153.45726	0.2
168.04216	1.2
224.06859	1.2
242.07947	2.3
277.21774	0.8
279.23288	100.0
280.23639	9.3
299.36887	0.3
335.54953	0.3
356.06558	0.3
504.30945	27.5
505.31213	5.0
570.25970	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.3016
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	1.4
61.98700	2.3
63.70841	1.1
64.00246	0.9
64.65740	1.1
70.59440	1.6
70.59747	1.6
74.77170	1.0
78.95775	25.0
80.96406	1.7
138.89832	1.1
148.61613	1.1
152.99463	2.8
168.04202	4.4
183.70110	1.2
224.06851	8.3
242.07809	1.9
244.37524	1.1
279.23279	100.0
280.23569	9.9
284.17130	1.1
310.01489	1.1
356.22174	1.3
504.30991	59.9
505.31137	8.9
554.27197	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	554.3463
Annotation	Unknow
Peak:m/z	Relative Intensity
50.06550	0.9
53.56248	0.9
55.13699	1.0
57.11793	0.9
59.01250	23.3
67.83231	1.0
71.01265	1.0
71.20554	1.8
78.52102	0.8
78.95779	18.4
93.83929	1.1
96.90814	1.0
110.66154	1.2
115.22279	0.9
152.99507	3.3
159.83112	1.0
168.04245	3.0
191.95224	1.1
224.06900	8.2
242.07939	1.4
255.23268	100.0
256.23624	9.4
309.44778	1.1
389.00793	1.1
480.30954	57.4
481.31226	9.9
547.44421	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.1039
Annotation	Unknow
Peak:m/z	Relative Intensity
53.56926	1.0
59.01247	0.9
62.50046	0.9
70.69524	2.3
70.69860	1.0
71.01234	1.2
74.99249	2.6
86.96878	5.4
87.00748	43.9
88.46547	0.8
96.95869	2.8
99.00529	0.8
101.00822	1.4
102.98750	3.3
111.00752	3.3
115.02401	2.0
117.00237	1.0
124.19006	0.9
125.00854	10.7
126.98766	54.6
126.99989	7.6
127.98877	4.8
141.00313	2.7
141.97443	2.3
144.99821	5.7
150.99991	4.8
152.97928	1.6
153.00415	1.0
168.99841	100.0
169.01065	5.6
170.00005	8.5
170.98978	1.7
180.99887	2.5
187.00960	2.1
191.01952	1.7
195.01349	1.4
211.00966	1.5
213.00177	37.9
214.00398	1.6
229.01952	4.4
230.99950	21.0
232.00012	1.6
243.03557	4.4
255.00081	2.2
273.01001	24.9
274.01172	2.2
285.01041	4.1
289.58060	1.1
303.02136	11.7
333.03030	3.8
375.04138	1.8
393.05176	2.3
424.99170	1.2
451.09229	5.0
555.10370	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	555.2661
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03339	3.4
59.01254	45.9
61.98707	38.9
69.03336	3.1
71.01256	75.5
73.02824	23.8
75.00742	6.9
80.31629	2.6
81.03291	2.7
83.01260	11.5
85.02826	29.1
87.00756	4.1
89.02335	24.7
91.75006	2.7
95.01263	5.7
98.19785	8.3
99.00748	9.9
101.02326	52.5
113.02336	31.6
119.03404	11.5
125.02352	4.4
134.52393	2.9
137.39653	2.9
143.03368	5.6
159.02895	5.8
161.04506	25.5
179.05551	6.8
271.05255	3.0
293.19495	2.9
327.39481	3.4
333.19061	18.8
334.79956	2.9
440.81400	2.8
474.64407	7.5
495.24387	100.0
496.24942	13.9
555.26172	5.5
555.33807	42.7
556.33960	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	555.2843
Annotation	Chaetoglobosin M
Peak:m/z	Relative Intensity
52.68634	0.5
59.01247	0.7
63.96104	1.2
69.03338	0.6
71.01252	6.2
71.11343	1.0
73.02818	1.7
78.98470	6.0
79.95601	9.7
80.96392	64.6
81.03351	0.6
85.02842	2.5
87.00746	2.6
94.97964	14.6
96.95910	0.7
97.02840	2.1
99.00745	0.5
101.02320	3.2
106.97972	2.9
111.03289	0.5
122.97465	4.5
125.01562	0.4
125.02315	2.7
127.03912	0.8
133.54311	0.4
134.97478	4.7
136.99036	1.4
148.99049	5.8
152.98552	7.2
164.28380	0.4
164.97284	0.7
164.98561	11.0
179.00064	0.5
179.33150	0.6
182.99593	2.1
206.99554	3.3
225.00700	17.6
226.01038	1.1
243.01704	1.7
255.23274	3.1
267.72928	0.5
299.04398	3.0
317.05310	0.6
349.79813	0.5
451.33780	0.5
542.59045	0.4
555.28418	100.0
556.28754	17.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.2611
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03329	1.5
57.70181	0.5
59.01254	1.0
61.98695	0.4
65.23203	0.4
67.01759	2.1
69.34997	1.4
69.35406	1.2
85.02810	0.6
87.00760	6.4
87.77354	0.4
111.00773	100.0
112.01124	2.8
121.02821	0.4
173.00839	5.5
254.30830	0.4
273.42480	0.5
309.20755	0.5
311.97070	0.5
501.83560	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.2604
Annotation	Unknow
Peak:m/z	Relative Intensity
52.38948	0.3
55.25655	0.3
57.03317	1.8
59.01250	13.5
61.98694	0.4
62.03504	0.4
67.01754	2.4
69.03335	0.4
71.01247	5.4
71.52472	0.4
72.99187	0.5
73.02815	1.8
83.01254	1.5
85.02823	3.5
87.00751	6.7
89.02312	0.9
95.01277	0.5
99.00780	0.9
101.02325	3.9
111.00763	100.0
112.01098	2.4
113.02334	2.4
119.03384	0.5
125.51908	0.3
129.01860	0.8
132.60298	0.3
161.04407	1.7
173.00829	8.2
304.93741	0.4
309.20621	0.5
471.29449	0.7
515.28516	0.9
557.29700	17.8
558.30212	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	557.2963
Annotation	Tricalysioside N
Peak:m/z	Relative Intensity
55.01753	1.4
55.93709	0.8
57.03330	2.0
58.00458	1.1
58.07988	1.0
58.60836	0.9
59.01251	60.0
60.01540	0.9
61.98692	1.9
69.21028	8.3
71.01251	29.8
73.02821	10.7
83.01257	4.5
85.02829	13.6
87.00743	1.4
89.02329	6.2
95.01252	3.3
99.00764	2.8
101.02316	16.6
113.02330	10.4
119.03331	2.3
153.12701	1.1
161.04408	6.0
238.61316	0.9
244.35622	0.9
292.60016	1.0
298.42352	0.9
378.91138	1.0
432.49057	1.0
471.29749	1.6
497.27448	3.1
515.28961	5.5
557.29645	100.0
558.30005	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	557.3206
Annotation	Unknow
Peak:m/z	Relative Intensity
51.60873	0.1
53.69001	0.2
59.01252	1.0
60.13344	0.1
61.98704	100.0
62.98417	0.2
69.35861	0.9
69.36264	0.3
78.95779	0.6
93.05750	0.2
100.61063	0.2
116.92731	0.2
121.25681	0.2
152.99506	0.4
199.48682	0.2
218.59692	0.2
249.36276	0.1
255.23325	1.3
256.23590	0.5
361.66400	0.2
456.31015	0.2
480.31079	0.6
483.32025	0.3
566.19318	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	558.2814
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98694	0.6
70.11967	2.2
78.95779	9.8
126.08990	0.7
140.01111	3.2
152.99501	1.0
196.03702	2.7
214.04800	3.2
223.33382	0.7
279.23288	100.0
280.23645	10.1
418.77176	0.8
420.62042	0.7
476.27832	28.7
477.28259	3.9
484.61490	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.2763
Annotation	Unknow
Peak:m/z	Relative Intensity
53.99991	1.3
57.03318	2.4
59.01236	4.2
61.98678	1.7
64.06271	1.3
64.62622	1.2
67.01764	2.1
69.30199	11.0
70.16524	1.1
72.00156	1.5
79.54707	1.2
85.02835	1.5
87.00750	9.7
89.48485	1.1
101.90632	1.0
111.00766	100.0
112.01105	2.0
147.60587	1.1
172.32289	1.1
173.00798	9.2
549.54285	1.3
559.27856	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.3121
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03315	1.6
59.01246	8.2
62.00969	0.3
66.33648	0.3
70.08755	1.2
71.01254	6.5
72.99183	0.5
73.02811	1.0
73.87026	0.4
78.95776	0.4
85.02828	2.2
87.00752	0.7
89.02310	4.9
90.29143	0.3
99.00744	0.5
101.02322	6.6
107.04887	0.8
111.00749	1.5
111.08056	0.7
113.02333	2.2
113.09600	0.5
119.03375	1.8
123.08020	0.5
125.09588	0.7
141.09084	0.5
151.11105	0.4
161.04454	1.4
163.11128	0.6
165.12756	4.5
179.05470	0.7
184.16165	0.4
191.14301	0.7
193.12251	1.2
209.11847	0.5
217.15878	0.9
235.08179	0.6
247.20702	2.0
253.09253	24.3
254.09555	1.0
263.20187	0.4
273.18536	2.7
291.19659	49.0
292.19995	5.1
305.21072	0.4
307.19525	0.4
308.19720	1.7
309.20209	0.4
323.22260	100.0
324.22592	10.8
447.13519	1.0
527.29163	0.8
559.31348	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.2555
Annotation	Unknow
Peak:m/z	Relative Intensity
55.66474	0.5
59.01229	0.6
61.98703	71.8
65.75519	0.5
68.37104	0.5
69.26688	4.7
74.91727	0.6
78.95775	9.5
87.25582	0.5
94.23613	0.6
120.71406	0.6
140.01105	2.3
149.24782	0.7
152.99452	1.0
196.03705	1.6
214.04875	3.4
261.22250	0.6
279.23285	100.0
280.23624	11.0
314.37042	0.6
330.45010	0.5
364.20859	2.8
365.21701	0.8
374.84052	0.5
476.27844	25.3
477.27997	4.1
561.25568	15.8
562.25934	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	561.2918
Annotation	Unknow
Peak:m/z	Relative Intensity
50.36790	1.0
52.77866	1.0
55.01755	1.5
56.43987	0.8
57.03316	3.5
58.33384	0.9
59.01252	76.7
60.01576	1.1
61.98685	3.3
66.33305	0.9
69.03326	0.9
69.17075	1.0
71.01254	29.9
71.04894	1.6
71.20052	1.8
72.99172	2.1
73.02823	9.5
80.02612	0.9
81.03330	1.7
83.01260	2.8
83.04893	6.0
84.02050	1.8
85.02828	11.3
87.00748	2.9
89.02322	17.2
95.01273	3.1
95.04915	1.7
97.02794	2.1
97.06441	2.1
99.00771	2.6
99.04379	4.0
101.02321	21.9
109.06484	2.1
111.08003	1.1
112.05190	1.6
113.02337	14.6
115.07511	2.1
119.03387	6.8
123.08093	1.2
125.02328	3.0
125.09596	5.5
127.07539	5.0
135.08051	3.1
143.03383	3.7
149.04491	2.1
153.09116	23.8
154.09465	1.0
155.10678	2.2
161.04474	7.7
163.11243	5.5
165.12764	2.8
171.10190	31.7
172.10593	2.5
178.09882	3.1
179.05510	4.2
181.12181	1.2
185.11723	6.2
191.10774	2.0
197.11789	9.8
206.99791	2.0
207.10152	1.8
209.11771	76.7
210.12100	5.2
211.13329	5.6
227.12833	4.3
235.13374	2.1
236.10464	1.4
238.12042	2.1
245.19005	2.2
253.09251	35.2
254.09639	1.9
268.44681	0.9
275.46500	1.0
279.19589	1.4
289.18097	13.2
290.18344	1.5
297.20776	3.3
307.19147	100.0
308.19540	10.0
325.20184	50.8
326.20514	5.6
357.26593	1.1
399.23795	3.1
407.19217	1.3
474.21133	3.4
483.29492	1.4
501.30829	17.5
502.30560	2.3
519.31812	9.6
520.32196	1.2
543.28082	20.2
544.28412	3.9
561.28973	16.8
562.30548	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.3277
Annotation	Unknow
Peak:m/z	Relative Intensity
52.21117	0.4
55.01756	2.0
57.03318	2.7
58.00467	0.9
59.01250	100.0
60.01598	0.8
61.98721	1.3
67.56418	0.6
69.03317	0.8
70.29188	1.5
71.01251	27.3
72.01625	0.6
72.99187	1.2
73.02818	8.6
75.00754	0.6
75.07622	0.5
78.62078	0.4
83.01261	4.8
85.02821	14.6
85.06471	1.0
85.99996	0.6
87.00739	1.3
89.02315	5.4
89.68053	0.4
95.01295	1.9
98.19801	0.6
99.00757	3.4
101.02323	16.1
111.00771	1.0
113.02320	10.3
119.03428	1.8
125.02361	0.7
131.03412	0.5
138.80707	0.5
143.03404	1.0
159.02881	1.1
161.04454	3.4
197.15500	0.8
213.18600	0.7
228.04588	0.5
243.24792	0.4
313.27536	1.8
321.24469	1.5
325.20438	0.5
339.25436	0.7
357.26514	0.8
368.56982	0.5
457.31604	3.0
475.32718	7.4
476.33298	1.2
483.29831	1.9
501.30756	7.7
502.30972	1.2
519.31909	4.4
520.31763	0.7
543.32025	1.3
561.32782	99.8
562.33099	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	562.3154
Annotation	Unknow
Peak:m/z	Relative Intensity
69.89838	3.8
69.90244	1.9
73.63104	0.9
78.95770	7.7
85.06451	2.3
90.68974	1.0
98.19705	1.1
140.01106	2.2
149.30431	1.0
196.03770	1.1
199.13316	13.3
214.04794	3.8
279.19672	9.4
347.25992	5.9
365.26962	100.0
366.27264	10.9
366.54843	1.0
562.31476	17.9
563.31573	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.2343
Annotation	Unknow
Peak:m/z	Relative Intensity
50.60698	1.2
54.24547	1.1
55.01758	2.3
57.03330	3.7
58.00461	1.7
59.01251	100.0
61.76771	1.2
61.98704	24.2
65.00198	2.3
71.01257	42.6
71.04891	1.3
71.53751	2.0
72.00797	1.2
72.01640	1.1
72.99165	2.8
73.02816	11.6
75.00748	2.6
75.31011	1.2
83.01257	9.0
85.02827	17.7
87.00744	2.9
89.02315	12.1
95.01264	4.0
99.00764	4.4
101.02319	25.0
101.02923	2.1
107.01287	3.2
109.85979	1.5
111.00734	1.5
113.02312	18.7
119.03358	5.8
125.02340	3.8
131.03403	2.0
143.03395	3.0
145.06494	2.5
149.04492	1.2
151.00275	8.8
157.12216	1.4
159.02893	1.7
161.04480	12.9
171.04462	3.8
179.05486	3.8
187.07622	2.5
197.11745	1.1
201.14879	2.0
208.28397	1.3
211.07585	4.9
213.05457	3.4
253.09212	4.1
255.06601	89.8
256.06900	7.8
279.06662	7.4
297.07666	3.9
315.18115	2.6
319.32449	1.3
327.21774	7.3
341.27002	2.4
354.13486	1.2
359.27979	5.8
459.22656	6.8
477.23401	9.2
478.23581	1.6
485.31207	1.4
502.30847	1.9
503.24728	2.2
503.32214	40.5
504.32510	5.1
521.33173	12.9
539.30035	1.2
563.17700	8.5
563.27313	10.4
564.18158	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	563.3436
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01762	1.8
57.03318	3.6
58.00488	1.0
59.01249	100.0
60.01589	1.1
60.05525	0.4
61.98702	2.6
69.03340	1.5
71.01250	39.6
71.04899	1.9
72.01563	0.6
72.99190	2.0
73.02817	12.0
75.00748	1.0
76.29892	0.4
77.65242	0.4
81.03320	0.5
83.01261	5.6
83.04901	0.9
84.02026	0.7
85.02819	21.6
85.99973	0.7
86.02331	0.4
86.03165	0.6
87.00744	2.1
87.04438	0.8
89.02316	11.6
95.01249	4.4
95.04916	0.5
97.02840	1.8
97.06477	1.3
98.19962	1.7
99.00757	5.1
99.04397	0.5
101.02319	22.5
101.06013	0.5
108.89599	0.4
111.00803	2.4
112.01556	0.8
113.02328	21.9
114.02674	0.5
115.07508	0.4
119.03383	3.3
119.08538	0.5
121.10117	0.5
124.01524	0.6
125.02361	2.2
125.09618	1.1
127.11216	0.5
129.01834	0.7
131.03392	1.0
137.09607	6.9
141.01807	0.5
143.03368	3.5
149.04475	0.6
157.12207	0.5
159.02896	2.4
159.84070	0.4
161.04460	15.1
162.04770	0.7
171.10167	4.2
179.05490	1.2
183.13820	1.0
185.15425	1.0
191.05260	0.5
197.15346	0.9
200.41708	0.5
203.38229	0.5
205.03464	0.8
207.03789	0.4
211.13306	3.0
211.17087	0.4
213.18575	1.6
221.11789	0.6
229.14397	2.6
229.17961	1.0
253.09273	7.5
254.09685	0.4
257.21225	1.5
271.22800	1.7
273.54984	0.5
291.19696	0.7
293.24780	0.5
301.16397	0.6
311.25742	0.8
313.27142	0.5
319.17587	0.7
327.21735	23.3
328.22028	2.8
329.19727	1.0
341.27032	1.6
345.18961	0.5
347.20749	3.7
359.28091	3.1
370.72906	0.4
373.22260	0.7
401.25214	1.1
415.26953	0.8
419.26355	0.7
433.28058	5.3
434.28470	0.8
455.29977	0.7
467.30392	1.0
485.31427	2.8
486.31427	0.5
503.32230	79.6
504.26596	0.3
504.32578	13.9
521.33252	31.4
522.33655	5.2
563.35040	4.9
564.34583	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.3435
Annotation	Unknow
Peak:m/z	Relative Intensity
52.01194	0.6
55.01756	1.6
57.03312	4.3
58.00464	1.4
59.01250	100.0
60.01583	1.4
61.98706	6.8
69.03319	0.9
69.21272	2.1
69.21687	4.3
71.01254	37.3
71.04890	0.8
72.01620	0.7
72.99196	2.3
73.02819	8.4
75.00780	0.7
83.01263	4.8
85.02824	17.8
86.00014	1.0
87.00758	2.9
87.04419	1.3
89.02317	12.1
90.85558	0.6
93.53905	0.7
95.01257	3.9
97.02859	1.5
97.06481	0.6
97.42516	0.6
98.20192	3.2
99.00753	3.8
101.02318	18.9
111.00786	1.8
113.02323	18.0
113.03061	1.2
119.03378	3.6
121.10152	1.8
124.01572	0.6
125.02354	1.9
125.09693	0.7
131.03406	1.2
137.09653	2.2
143.03436	2.9
153.12796	0.7
159.02922	1.7
161.04453	8.3
162.04832	0.7
171.10216	1.5
179.05504	1.6
201.14919	3.4
211.13402	0.9
253.09435	2.1
271.22736	0.9
312.81180	0.6
319.17654	0.8
327.21872	5.2
328.22110	0.9
341.27127	2.0
345.19412	2.0
347.20767	1.9
350.21252	0.7
355.62491	0.8
359.27975	6.2
363.20496	1.3
433.28345	1.0
473.31586	0.7
485.31433	1.3
503.32245	80.4
504.32590	12.6
520.68677	0.7
521.33301	25.3
522.33368	3.2
563.33618	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	565.1928
Annotation	Unknow
Peak:m/z	Relative Intensity
55.62896	0.8
56.74100	0.7
59.01258	12.7
59.13031	0.8
61.98706	1.8
69.46568	2.9
69.46985	2.2
71.01263	8.6
72.12674	0.9
72.99194	1.4
73.02809	1.7
85.02819	2.4
87.00780	1.1
89.02331	7.5
96.95872	1.6
101.02342	6.1
108.02062	2.2
109.02834	5.9
113.02332	4.8
119.03391	3.0
121.02842	4.4
122.03638	3.2
123.04389	1.6
124.01553	2.1
125.02339	1.2
129.03331	1.4
134.03635	2.7
137.02315	5.0
138.03105	1.9
139.03845	1.7
143.03394	1.0
143.04944	0.9
145.02875	1.3
146.03601	1.8
147.04425	31.2
148.05135	2.9
149.02367	2.5
149.06015	0.9
149.87979	0.7
150.03133	5.6
151.03934	6.1
152.04657	1.4
153.05484	1.6
154.02679	1.0
158.03670	2.7
159.04416	10.1
160.05215	20.1
161.02351	0.9
161.05989	5.3
162.03152	4.8
162.06750	1.4
163.03934	5.4
164.04713	15.8
165.05495	8.1
166.06049	1.2
168.04213	3.1
173.02380	3.7
173.06013	3.2
174.03160	1.6
175.03831	0.9
175.07559	22.0
175.09016	1.5
176.04707	2.3
176.07928	1.9
177.05513	13.4
178.02768	1.0
178.06287	4.1
179.05568	1.8
179.07072	2.3
188.04723	1.1
189.05479	1.1
191.07054	1.3
193.04971	2.6
193.08620	2.0
202.06068	0.8
218.56320	1.0
226.18175	0.8
237.05591	0.9
255.06662	1.0
265.05161	1.2
267.06662	2.7
282.08926	2.2
283.06131	9.8
297.07779	2.2
298.08487	11.7
299.08963	2.4
312.10153	1.1
313.10840	28.2
314.11295	4.3
315.12164	1.5
327.12457	2.8
328.12994	4.1
329.10367	1.5
329.14032	6.2
346.14072	2.5
359.15009	100.0
360.15363	11.4
361.16537	26.0
362.16940	2.6
401.16016	1.0
403.13986	21.7
403.22873	1.2
404.14343	3.0
565.19281	36.8
565.28119	3.1
566.19635	8.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.2142
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00453	2.6
59.01258	52.7
61.98723	2.3
69.27691	16.9
71.01260	33.8
72.99184	4.5
73.02826	4.8
75.00755	7.7
79.40984	1.9
83.01265	2.2
85.02838	8.7
87.00745	3.0
89.02319	33.1
95.01258	3.1
98.19932	7.7
99.04425	3.6
101.02328	20.8
109.71526	2.0
113.02327	17.9
119.03390	19.7
121.67091	1.9
133.10150	4.3
135.11699	3.9
143.03407	4.7
161.04478	4.4
161.09625	6.2
179.05576	15.5
179.10695	41.0
180.10982	2.4
205.08727	2.7
223.09717	89.9
224.10081	7.2
265.10837	3.4
289.16159	2.1
359.17029	5.9
371.09641	2.2
385.15115	17.0
403.16101	100.0
404.16513	9.6
495.39401	2.1
565.21765	9.8
566.21710	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.323
Annotation	Unknow
Peak:m/z	Relative Intensity
53.54746	2.2
57.03324	5.0
59.01254	100.0
60.01583	2.2
61.98708	25.6
71.01256	34.8
72.99189	2.4
73.02824	11.3
80.01875	2.2
83.01260	3.0
85.02816	12.0
87.00718	2.4
89.02317	9.8
97.42053	1.9
99.00747	4.0
99.08069	3.6
101.02335	20.7
113.02345	13.6
116.92687	4.1
119.03431	2.7
127.11173	2.2
128.71542	2.2
139.11119	2.8
141.01544	2.3
159.02762	2.3
161.04478	7.4
171.10229	3.9
183.13805	3.3
185.15399	2.4
211.13358	17.0
229.14447	8.7
253.09285	13.1
329.23349	62.9
330.23654	7.7
431.26407	3.0
457.78986	2.1
461.31192	20.6
473.27423	4.8
479.32355	7.7
505.33728	34.7
506.34003	6.3
523.34442	4.2
565.27191	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	565.3599
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01767	1.3
57.03332	4.4
57.87529	0.4
58.00486	0.9
58.39101	0.4
59.01255	93.8
60.01584	1.0
61.98707	0.6
69.03319	1.0
71.01258	29.0
71.02435	0.7
72.99200	1.2
73.02821	6.9
75.00771	0.5
83.01264	3.6
85.02829	16.3
85.99984	1.0
87.00776	1.7
87.04424	1.0
89.02324	8.3
90.48373	0.4
93.99388	0.3
95.01269	4.8
97.02853	1.3
98.20482	0.4
99.00758	3.0
101.02329	12.0
105.12613	0.3
106.72541	0.4
109.06589	0.4
111.00780	1.3
112.01575	1.2
113.02339	19.9
115.03913	0.4
119.03407	2.6
124.01534	0.8
125.02352	2.2
127.11176	0.5
127.77235	0.3
143.03413	2.4
143.10706	0.5
153.09122	0.6
159.02914	1.0
161.04477	4.9
169.12248	0.7
171.13843	1.4
187.13365	1.0
198.16045	0.4
199.13321	0.4
201.14975	1.7
216.63596	0.4
217.14447	0.8
221.15495	0.4
315.25381	0.7
343.28571	1.5
356.08536	0.5
359.28024	1.5
361.29587	11.0
362.29953	1.0
457.31631	0.4
469.31870	0.6
475.32986	0.9
505.33856	100.0
506.34149	16.1
523.34869	25.2
524.35114	4.7
565.28290	0.4
565.36108	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	567.2294
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00483	3.7
58.23176	2.6
59.01254	57.0
61.23865	3.1
61.98698	5.3
71.01252	27.9
71.32982	3.1
72.99193	11.5
73.02822	9.7
75.00757	4.7
83.01285	4.4
85.02814	7.3
86.41916	2.7
87.18408	2.9
89.02328	29.4
101.02339	18.9
103.08699	3.1
113.02344	12.0
119.03355	7.3
122.03620	5.6
137.06029	3.3
149.02396	21.0
150.03139	26.3
161.04465	3.4
163.11215	5.8
164.04672	5.1
165.05455	39.3
177.81332	2.9
179.05591	4.7
180.04184	3.8
181.12247	32.1
182.12585	4.2
194.05806	5.1
195.06531	31.0
209.08156	13.2
225.11270	98.0
226.11577	8.9
227.16209	2.7
239.12799	3.0
267.12357	4.4
311.10471	3.6
357.13510	9.8
387.16333	5.2
405.17676	100.0
406.17892	11.0
447.18503	4.8
449.97272	3.6
507.21027	5.5
567.22968	10.9
567.30798	5.7
574.32349	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	567.2302
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03320	1.7
59.01251	22.4
60.01587	1.6
60.99178	11.3
61.98688	3.4
71.01250	12.0
71.53473	1.1
71.53883	1.3
72.99187	10.3
73.02817	3.0
75.00754	2.7
83.01256	1.9
85.02824	4.0
85.05671	1.0
87.00747	7.9
88.00269	11.5
88.98089	1.2
88.98678	75.6
89.02318	100.0
90.01848	4.0
101.02313	4.7
113.02333	4.3
119.03418	1.6
119.04939	2.2
124.85543	1.0
142.78174	1.0
160.00604	1.1
161.04457	2.2
170.47815	1.0
179.05426	1.4
201.62671	1.1
477.23288	1.7
496.43182	1.1
506.33954	4.4
507.34094	3.4
525.35107	1.6
567.12085	1.7
567.30212	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.2606
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01253	47.3
70.27345	7.0
70.27740	10.1
71.01255	52.6
72.01591	3.4
73.02813	10.7
83.01212	4.2
85.02824	17.3
87.00762	3.9
87.04366	3.1
89.02317	35.9
95.01235	5.0
101.02313	39.4
113.02327	16.9
119.03368	16.9
120.05337	3.8
125.02314	6.1
126.35543	3.8
130.61421	3.3
131.03389	4.2
161.04478	17.1
179.05528	27.5
191.94308	4.2
228.57834	3.6
263.07541	4.0
323.09744	4.6
326.39792	4.0
338.40256	4.1
349.18631	27.7
350.18826	3.8
482.37903	4.2
511.23947	100.0
512.24152	15.3
528.84637	4.3
577.94312	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	571.2887
Annotation	1-palmitoyl-sn--glycero-3-phospho-D-myo-inositol
Peak:m/z	Relative Intensity
51.81345	2.6
53.21130	2.6
58.27892	2.8
59.01229	3.0
61.98679	5.9
73.86358	3.2
78.95776	84.0
80.73692	2.5
96.96841	17.7
107.22047	2.8
132.20747	3.1
150.97893	3.9
152.99483	84.4
213.69113	2.8
223.12254	2.7
241.01184	31.8
242.89240	4.1
255.23289	69.2
256.23706	3.3
315.04922	9.0
364.06546	2.9
391.22601	8.4
395.29510	3.2
409.23145	4.2
475.02063	3.3
571.28888	100.0
571.37341	6.3
572.28973	17.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	574.2354
Annotation	Unknow
Peak:m/z	Relative Intensity
52.90785	0.5
55.01755	0.8
59.01238	2.9
61.98701	100.0
65.60228	0.4
69.03323	19.7
70.55540	1.1
70.55882	0.7
71.01238	3.1
71.06797	0.4
72.99162	1.1
73.61423	0.4
79.01762	0.5
85.02835	1.3
87.56821	0.5
89.02325	1.0
95.01299	0.8
96.95921	0.9
97.02845	4.7
99.00745	4.4
101.02354	1.9
110.02342	0.8
119.03364	0.5
121.02876	1.1
126.31796	0.4
134.03641	1.2
141.01859	1.9
144.00433	0.5
150.03183	0.6
179.05521	0.6
185.00842	13.0
185.02467	0.8
193.05020	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.1404
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01753	3.1
56.20589	1.1
57.03326	3.5
59.01245	10.1
60.23394	0.8
60.83546	0.8
61.98697	2.8
64.22266	0.8
69.03324	100.0
69.60168	5.0
70.03687	1.3
71.01244	4.6
72.99190	2.0
73.02811	1.5
79.01777	1.1
79.78032	0.8
85.02834	3.0
87.00756	1.2
89.02328	3.8
91.78183	0.8
95.01267	2.0
96.95894	2.0
97.02827	20.3
97.03399	1.8
99.00752	24.8
99.04395	4.0
101.02334	3.5
107.10058	0.9
113.02341	2.3
119.03452	1.1
123.00780	1.6
134.03601	1.5
141.01826	7.6
150.03143	2.1
161.04520	1.0
163.08632	0.8
165.05518	1.7
185.00832	58.0
186.01135	2.5
193.04982	2.0
241.58766	1.0
242.12900	0.9
252.91301	0.9
394.89481	1.1
575.13568	2.4
575.27374	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.3433
Annotation	Unknow
Peak:m/z	Relative Intensity
50.76142	0.7
55.52205	0.9
57.03313	1.6
58.00448	1.1
59.01250	100.0
60.01579	1.8
60.92315	0.8
60.99168	0.9
61.98698	1.2
70.02847	2.1
71.01256	18.2
72.77103	0.8
73.02818	3.7
83.01259	2.3
85.02814	8.9
87.04360	1.7
88.98668	6.1
89.02325	4.5
91.93952	0.7
95.01257	3.6
97.02821	1.1
98.19743	0.8
99.00739	2.1
101.02317	6.8
102.97465	0.9
111.08071	0.9
113.02345	10.2
118.32923	0.8
119.03397	1.2
125.02364	0.8
143.03395	1.9
146.16573	0.7
161.04456	3.0
180.06689	1.1
353.27084	1.9
371.28040	4.0
515.32269	74.7
516.32654	11.8
533.33557	15.7
534.33478	2.8
575.29950	5.0
576.30774	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	576.3023
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98705	100.0
69.27921	3.8
78.95744	0.4
80.96396	1.4
153.58350	0.4
186.63493	0.5
277.21735	0.7
278.22061	0.8
379.28662	1.8
519.58539	0.5
577.27325	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	576.3028
Annotation	Unknow
Peak:m/z	Relative Intensity
59.99965	0.4
61.98706	100.0
69.34235	3.2
78.95792	0.9
82.50040	0.4
87.11699	0.4
95.33707	0.5
108.26302	0.4
160.77075	0.4
265.45959	0.5
278.22134	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	576.3305
Annotation	Unknow
Peak:m/z	Relative Intensity
57.55336	0.4
59.01250	20.0
59.37036	0.4
66.39320	0.5
67.01223	0.4
70.27946	0.8
70.28326	1.4
75.74879	0.4
78.95773	6.3
90.48146	0.4
96.95869	1.0
98.20195	1.3
103.85177	0.4
152.99481	1.9
168.04192	1.7
224.06880	1.2
233.22775	0.7
242.07988	3.2
257.21054	0.5
277.21719	100.0
278.22076	8.7
298.24356	0.5
331.06161	0.5
486.09595	0.5
486.59177	0.6
502.29428	29.3
503.29645	5.3
533.11157	1.1
589.68921	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	576.3304
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	31.0
70.65913	2.5
70.66255	3.6
71.01249	2.2
71.23008	1.5
71.37117	1.5
72.00307	1.6
78.95773	32.2
80.96388	15.7
81.40077	1.6
94.97937	3.5
124.40801	1.8
125.09409	1.7
127.56960	2.0
152.99527	4.0
168.04260	4.0
209.05727	2.2
224.06912	10.5
225.00728	3.7
242.07846	2.4
277.21719	100.0
278.22092	8.5
299.16232	7.2
502.29419	67.7
503.29471	10.7
577.26935	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	577.1564
Annotation	RHOIFOLIN
Peak:m/z	Relative Intensity
52.47880	0.2
55.01748	0.2
57.03306	0.6
58.00470	0.4
59.01251	16.1
60.42062	0.2
61.98696	1.1
65.00185	1.0
67.35533	0.2
67.85629	0.3
69.03313	0.5
71.01254	5.5
71.04887	0.3
71.53047	0.2
72.99168	0.5
73.02817	2.0
74.28950	0.3
75.00763	0.4
83.01254	0.9
85.02817	2.4
87.00731	0.5
89.02318	2.3
95.01260	0.8
97.02831	0.3
99.00742	0.5
99.04399	0.5
101.02315	3.3
111.00762	0.5
113.02341	2.5
119.03396	0.9
123.00761	0.5
125.02352	0.3
131.03458	0.3
136.98732	1.8
137.94916	0.3
139.00278	1.4
141.06970	0.9
143.03421	0.3
143.04886	0.4
145.06561	0.3
151.96364	0.3
159.02814	0.3
161.04437	0.9
164.98193	0.3
166.99759	0.7
167.04904	0.8
169.06503	3.1
171.04398	0.7
171.08122	0.3
181.06316	0.3
185.05911	0.4
195.04440	1.7
196.05064	0.4
197.06012	2.7
199.03963	0.4
213.05513	1.1
220.00148	0.3
223.03926	3.2
224.04491	0.7
225.05411	0.8
241.05020	3.0
243.91632	0.3
251.03471	2.0
267.02985	0.4
268.03604	0.6
269.04541	100.0
270.04877	9.5
283.15427	0.9
316.80505	0.3
373.26013	0.4
415.23358	0.3
445.11240	0.3
473.31589	0.3
487.29211	0.3
491.31784	0.3
499.28928	0.6
517.30151	5.2
518.30597	0.4
535.31287	1.8
576.31104	0.8
577.32477	8.4
578.32776	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.2685
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	4.7
61.98702	39.3
69.03320	0.8
71.01255	8.4
71.02919	1.2
73.02814	1.7
78.95770	1.4
78.98454	6.0
79.95603	11.9
80.96389	79.7
81.03310	1.6
85.02828	3.0
87.00753	3.2
94.97380	1.2
94.97963	17.7
95.01218	0.7
96.95905	0.6
97.02818	1.9
99.00734	0.7
101.02313	2.3
106.97961	3.5
122.97475	6.9
125.02376	3.7
127.03867	0.9
134.97482	4.9
136.99030	1.2
148.99060	5.8
150.92061	0.7
152.98543	8.0
164.97276	0.9
164.98557	11.1
167.00087	0.7
182.99619	2.7
206.99683	3.6
225.00682	17.1
242.07867	0.9
243.01715	1.6
277.21777	2.5
279.23282	24.0
299.04434	2.5
299.79260	0.7
323.19580	0.7
334.52478	0.7
504.30917	7.0
512.09515	0.6
577.26831	100.0
578.27228	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	577.3233
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01759	1.7
57.03329	3.6
58.00469	2.0
58.24140	0.3
59.01254	100.0
60.01585	1.5
60.30501	0.3
61.98713	1.0
69.03336	0.8
71.01258	32.2
71.04889	1.6
71.53709	0.3
72.01608	0.3
72.99189	2.4
73.02826	9.4
75.00748	0.8
83.01255	4.5
83.04902	0.5
83.49240	0.3
84.02066	0.4
85.02827	14.7
85.06470	2.7
85.99973	0.4
86.03190	0.6
87.00745	1.8
87.04388	0.4
89.02322	12.8
95.01269	2.8
97.02833	0.8
97.06482	0.4
99.00757	2.5
99.04396	0.6
101.02332	16.7
101.06000	0.3
111.00764	0.8
113.02338	13.9
114.02748	0.4
115.03887	0.5
115.07513	0.6
119.03394	4.4
120.03680	0.3
123.04445	0.5
125.02349	0.9
129.01845	0.6
131.03380	0.7
137.09572	0.4
143.03424	1.3
143.10680	2.0
155.10658	0.5
159.02966	1.0
161.04492	2.3
171.13858	1.4
179.05559	0.8
191.01938	0.5
201.14882	0.4
221.06798	0.4
229.18028	0.6
243.02956	0.4
271.02692	0.5
299.01926	0.8
314.04285	0.4
329.26999	4.2
337.23831	2.0
355.24808	1.7
373.26080	0.4
415.23441	1.1
428.68649	0.3
473.31412	3.8
474.31656	0.5
491.32346	3.9
492.32593	0.8
496.63318	0.3
499.29230	2.5
517.30206	9.1
518.30634	1.4
535.31226	3.8
535.38812	0.5
536.31689	0.7
559.31116	1.6
577.32355	98.1
578.32666	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	577.323
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01753	1.5
57.03324	2.7
58.00470	1.3
59.01252	87.4
60.01593	1.7
61.98697	1.2
62.86393	0.3
67.78258	0.3
67.83982	0.3
69.03300	0.5
69.55743	0.8
69.56143	1.5
71.01255	29.1
71.04897	1.2
72.01587	0.4
72.99178	2.1
73.02820	10.8
75.00742	0.8
81.03320	0.4
83.01260	4.6
83.04900	0.5
85.02826	11.4
85.06467	1.9
85.99997	0.6
87.00744	1.7
87.04389	1.0
89.02319	10.8
93.03355	0.3
95.01270	2.4
96.95895	0.6
97.02829	0.9
97.06470	0.4
99.00755	2.8
99.04369	0.4
99.08056	0.4
101.02322	16.1
111.00785	1.3
111.04414	0.4
113.02334	10.7
114.02634	0.4
119.03382	3.1
125.02333	1.1
125.09612	0.4
127.11219	0.8
129.01859	0.8
131.03403	0.6
137.09647	0.5
143.03386	1.1
155.10687	0.6
157.12262	1.1
159.02960	0.9
160.01561	0.4
161.04498	2.2
171.13835	1.3
179.05481	0.6
183.13763	0.3
193.04955	0.8
201.14928	0.5
220.57292	0.4
253.76616	0.3
269.04535	2.4
270.04810	0.4
328.91104	0.3
329.26962	3.2
337.23834	2.4
338.24319	0.5
355.25058	2.0
356.25366	0.4
415.23630	0.4
473.31223	5.6
474.31448	0.7
491.32245	5.0
492.32825	0.6
499.29218	4.1
500.29749	0.6
517.30286	7.7
518.30322	1.2
535.31409	3.3
536.31396	0.5
559.31317	2.8
560.31543	0.6
577.32294	100.0
578.32574	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	577.3592
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	13.8
69.14306	0.7
69.51452	0.7
71.01251	3.7
79.41747	0.7
83.42046	0.7
85.02802	1.2
89.02296	2.8
101.02322	3.2
107.67841	0.9
108.13927	0.6
113.02334	1.9
119.03391	0.8
161.04535	1.4
180.27847	0.8
215.16411	0.8
235.08235	1.9
253.09244	12.5
281.24854	100.0
282.22366	1.2
282.25238	13.5
321.83392	0.8
390.42847	0.7
391.26895	0.9
425.17303	0.7
533.10504	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	578.318
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01241	1.2
60.38465	0.5
61.98702	100.0
63.96124	0.6
69.23932	4.0
71.01250	4.8
73.02809	1.0
74.28290	0.5
78.95762	0.5
78.98463	2.8
79.95599	4.7
80.96389	33.3
85.02845	2.0
87.00775	0.7
94.97957	7.4
96.95908	2.3
101.02328	0.7
106.97968	1.3
109.52064	0.5
122.97466	2.7
125.02351	1.5
127.03899	0.6
134.97487	2.2
136.99045	0.9
148.99030	3.0
152.98520	2.8
164.98584	4.9
178.71544	0.5
181.76573	0.5
182.99590	0.8
193.88800	0.5
197.94934	0.5
206.99706	1.7
225.00656	7.8
243.01750	1.0
274.64554	0.5
279.23361	1.9
280.23691	1.0
281.23868	0.9
282.24280	0.8
299.04428	0.9
492.70715	0.6
579.28424	62.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	578.3182
Annotation	Unknow
Peak:m/z	Relative Intensity
52.02515	0.4
56.97029	0.4
59.01247	0.9
61.98701	100.0
69.82567	1.5
71.01258	1.9
76.22435	0.5
78.95798	1.1
78.98470	1.5
79.95606	2.1
80.96389	17.5
85.02844	0.8
87.00739	0.6
94.97947	4.0
95.63395	0.4
96.95911	1.8
97.02837	0.5
101.02353	0.5
106.98008	0.5
110.75228	0.4
121.94351	0.5
122.97466	0.5
125.02358	0.8
134.97495	1.0
142.91925	0.4
148.99078	1.5
152.98512	1.3
164.98540	2.4
165.92331	0.4
173.04439	0.5
193.72633	0.4
206.99556	0.6
225.00685	3.2
279.23349	1.7
280.23624	0.9
281.24020	0.5
299.04568	0.8
579.28406	27.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	578.3468
Annotation	Unknow
Peak:m/z	Relative Intensity
54.25532	0.4
59.01246	8.6
61.98701	100.0
62.20722	0.4
62.98399	1.3
63.57649	0.4
63.99129	12.3
64.62333	0.5
71.01263	0.9
71.12012	0.4
75.19186	0.5
78.95768	3.2
78.98464	1.2
79.95618	1.5
80.96387	12.5
82.95961	1.0
85.02840	0.5
94.97968	2.2
98.19731	1.7
106.97981	0.6
122.97460	1.1
134.97470	0.8
147.54816	0.5
148.99048	0.8
152.99571	0.7
164.98537	1.7
168.04214	1.1
177.87190	0.5
224.06960	0.7
225.00667	1.5
242.08009	1.7
277.21826	0.7
278.22119	0.9
279.23279	47.8
280.23639	5.6
444.49606	0.5
504.30917	14.3
505.31454	1.9
549.63812	0.5
578.27173	16.2
579.27002	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	578.347
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01258	9.7
61.98701	100.0
62.98397	1.9
62.99091	0.8
63.99126	11.4
67.54346	0.7
71.20083	1.7
78.95771	10.8
82.29242	0.7
99.62575	0.8
125.89212	0.7
126.35177	0.7
152.99533	2.2
156.51532	0.7
168.04228	1.3
191.64233	0.9
224.06915	3.8
242.08064	0.8
252.81520	0.7
279.23282	43.2
280.23624	6.2
282.91489	0.9
504.30951	27.0
505.31247	5.8
552.43097	0.9
578.27362	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.1931
Annotation	Unknow
Peak:m/z	Relative Intensity
52.44316	1.3
59.01258	8.7
59.04283	1.2
61.98719	6.9
68.66169	1.3
71.01249	11.6
71.53448	1.4
73.02819	3.1
85.02831	4.4
89.02308	10.6
98.27647	1.4
99.00765	1.7
100.37595	1.4
101.02314	7.3
111.00785	2.5
113.02312	3.4
121.02847	100.0
122.03182	5.6
125.02354	1.3
131.45769	1.4
149.04436	3.0
151.00330	1.7
161.04478	1.7
166.02646	4.0
169.26213	1.4
178.53056	1.3
181.04936	5.7
221.06732	2.0
257.32932	1.5
293.42163	1.3
323.09705	1.5
387.10733	1.8
397.13513	4.2
417.15454	7.4
519.17255	3.5
519.24469	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	579.2082
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01762	1.2
56.64347	0.6
57.03313	2.1
57.30046	0.6
58.00449	1.0
59.01250	50.4
59.49551	0.6
61.98689	1.1
69.03328	1.4
69.42173	4.6
71.01252	28.0
71.04897	3.5
72.99181	1.5
73.02825	7.5
82.09051	0.6
83.01263	3.5
83.04903	0.9
85.02821	12.4
85.06458	0.7
85.99945	0.7
87.00741	2.9
87.04381	1.3
89.02315	10.6
95.01271	3.1
97.02814	1.4
97.06448	0.8
98.19834	1.3
98.20492	1.3
99.00748	2.6
101.01691	1.2
101.02321	15.7
109.02833	1.6
111.00744	1.9
113.02329	13.5
119.03416	4.5
119.04885	1.2
123.00769	1.8
124.01521	1.0
125.02316	2.4
125.09588	0.8
129.09062	1.5
137.02342	7.3
137.09630	5.8
139.00185	1.0
142.00317	0.6
143.03391	2.4
149.02353	1.2
151.00267	15.1
151.03967	0.9
152.00964	1.4
152.04677	2.2
155.10724	0.8
157.12221	2.9
159.02950	1.2
161.04468	7.6
163.03807	0.7
165.01851	0.8
166.02626	47.9
167.03084	3.1
169.12212	1.3
177.01875	1.7
179.05551	1.5
181.04985	66.6
182.05319	3.2
190.06291	1.0
191.03296	0.9
192.04190	0.7
193.05035	1.2
199.13298	0.7
205.08553	0.8
207.06512	1.2
209.04510	1.2
271.06021	2.3
298.12445	0.7
301.16467	1.6
319.17685	2.7
345.19058	2.0
357.26620	3.0
359.11438	1.1
363.20178	1.9
371.14883	0.8
375.27484	2.6
387.10788	12.8
388.11118	1.7
402.13159	7.2
403.13541	1.4
417.15540	100.0
418.15872	14.6
431.26370	2.0
449.27542	1.9
459.29453	1.1
501.30664	2.0
519.31726	66.8
520.32025	8.0
537.32733	17.3
538.33429	2.7
579.17194	3.0
579.26117	2.0
579.34552	3.2
580.33801	1.0
590.87329	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.2083
Annotation	(+)-Syringaresinol O-beta-D-glucoside
Peak:m/z	Relative Intensity
52.23333	0.5
59.01249	3.1
61.98697	1.5
66.04669	0.4
71.01247	3.0
73.02805	0.8
78.76447	0.4
85.02820	1.5
86.53165	0.4
89.02323	2.4
95.01273	0.6
95.04887	0.5
101.02319	1.3
109.02827	1.9
110.58263	0.4
113.02300	2.0
119.03385	0.7
121.02821	0.6
123.00774	2.8
125.02344	1.1
137.02344	9.6
149.02356	1.2
150.03177	0.8
151.00266	18.8
151.03922	1.6
152.00970	1.6
152.04697	2.1
153.05420	0.5
161.02278	0.5
161.04433	1.1
163.03944	0.5
165.01709	0.6
166.02626	54.4
167.03172	3.5
175.03961	1.2
177.01830	3.8
177.05515	0.6
178.02678	0.7
179.03438	0.8
179.68524	0.4
181.04987	73.3
182.05305	3.4
184.03688	1.1
190.02661	0.5
190.06264	1.1
191.03450	1.0
192.04225	0.6
193.04916	0.8
195.02884	0.8
205.05104	0.9
205.08658	1.5
207.06557	1.4
219.06528	0.6
223.05925	0.5
225.32788	0.5
255.02969	1.5
283.02393	4.0
284.03281	1.2
288.37259	0.5
327.12408	0.7
359.11337	1.7
371.15054	0.6
373.31030	0.5
387.10834	14.5
388.11157	1.3
402.13229	6.2
403.13644	1.0
417.15546	100.0
418.15881	11.8
475.21515	0.6
492.70523	0.5
493.22241	0.5
579.13593	2.9
580.13824	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.209
Annotation	Unknow
Peak:m/z	Relative Intensity
52.48468	0.8
57.03333	1.6
59.00952	1.6
59.01254	28.6
61.98729	1.2
63.58558	0.8
71.01253	20.3
71.01845	0.9
72.99178	1.4
73.02823	5.1
75.00760	1.0
83.01284	2.0
85.02841	8.2
87.00742	1.5
89.02325	10.6
95.01261	1.6
98.20123	1.0
99.00779	1.9
100.67895	0.9
101.02317	10.4
104.05608	0.8
107.04886	1.0
109.02121	0.9
109.02843	2.1
111.00742	1.0
113.02339	8.3
113.70029	0.9
115.00290	1.0
119.03422	3.3
121.02834	1.0
123.00746	1.6
125.02331	1.8
131.03418	1.6
137.02364	9.3
139.00252	1.0
143.03453	1.2
143.10681	1.1
149.04472	2.2
151.00273	17.8
151.03940	1.7
152.01056	1.5
152.04723	1.7
157.01138	1.1
159.02975	1.1
159.04465	0.9
161.04539	4.3
166.02644	56.6
167.03328	3.7
175.02466	1.5
175.03966	1.7
177.01898	2.4
181.05000	75.3
182.05385	4.0
205.05101	1.3
205.08607	1.7
207.06541	1.9
293.08908	0.9
329.10437	0.9
346.01312	0.9
357.26157	1.0
359.11624	1.9
363.20337	1.4
375.27222	1.0
387.10931	15.0
387.20102	5.2
388.11499	1.9
402.13315	5.9
403.13544	1.3
417.15570	100.0
418.15930	13.2
429.12402	1.1
442.90170	0.9
475.21826	2.2
493.22717	1.3
519.24377	10.9
519.31781	14.0
520.25079	2.2
520.32257	3.1
537.33038	4.4
579.15411	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.2296
Annotation	Unknow
Peak:m/z	Relative Intensity
56.71487	1.7
59.01250	19.5
61.98705	15.6
71.01254	17.1
71.52993	1.5
71.53429	1.7
72.99168	2.3
75.63266	1.3
85.02825	5.5
88.98729	1.7
89.02318	14.6
96.95863	2.4
101.02342	8.3
104.71866	1.6
113.02325	7.2
119.03364	4.4
121.02836	1.6
123.00779	2.5
137.02368	8.1
149.04501	2.4
151.00305	12.6
161.04457	4.3
166.01241	3.4
166.02620	49.5
167.03189	2.4
174.94426	1.6
177.01688	1.9
179.05473	2.4
181.04987	69.5
182.05247	2.8
184.03667	2.1
190.06151	1.8
255.03004	7.4
283.02475	16.7
284.02991	2.8
327.12460	2.7
371.15134	2.1
387.10916	13.7
397.44296	1.6
402.13208	5.7
413.56940	1.6
417.15576	100.0
418.15988	15.3
475.21674	5.0
493.23141	4.4
579.13354	15.6
580.13727	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	579.2655
Annotation	Unknow
Peak:m/z	Relative Intensity
50.66211	0.4
55.01738	1.5
57.03315	1.7
58.00460	1.1
59.01250	15.9
61.98693	1.5
69.03323	1.1
69.82499	2.1
71.01252	24.0
71.51508	0.4
72.01573	0.6
72.99169	1.3
73.02816	6.7
75.00729	0.6
75.94413	0.4
81.03329	0.6
83.01249	2.6
85.02821	10.3
85.06448	1.1
85.99986	1.0
87.00741	4.4
89.02316	7.4
95.01257	1.9
97.02837	1.4
98.20515	0.9
99.00761	2.7
101.02323	17.0
102.02683	0.7
111.00742	0.8
111.04375	0.5
112.61044	0.5
113.02320	9.5
113.05974	0.7
114.06766	1.3
116.18382	0.5
119.03383	2.5
125.02335	2.4
125.09615	0.8
129.09111	0.6
131.03375	1.0
139.94244	0.5
141.01677	0.6
141.09094	1.9
143.03374	1.4
143.10609	2.6
159.02878	0.6
161.04466	3.9
181.41347	0.5
193.15857	1.9
221.06564	1.2
255.15981	3.3
262.72665	0.5
417.21292	3.2
579.26544	100.0
580.26843	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	579.2658
Annotation	Unknow
Peak:m/z	Relative Intensity
52.91404	3.4
54.04893	3.7
59.01250	100.0
61.98710	23.5
71.01250	32.9
72.99166	5.9
73.02822	13.4
75.00773	8.1
83.01237	5.6
85.02820	17.9
87.00767	7.1
89.02300	8.0
95.01295	4.0
96.95875	6.4
98.61932	4.0
99.00760	4.9
101.02339	21.3
110.10009	3.5
113.02337	15.4
115.82470	3.4
116.15364	3.4
116.71362	3.8
116.92744	6.0
146.61290	3.7
157.95462	3.5
161.04471	8.4
193.05011	4.7
459.22250	12.1
477.23456	16.1
478.17563	3.8
478.24103	5.4
519.32019	19.6
520.32397	4.5
579.32904	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	579.2664
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	100.0
61.98699	17.4
68.42312	2.7
69.03353	3.2
70.28032	3.2
70.28387	7.5
71.01258	48.3
72.99172	4.2
73.02824	16.9
75.00751	5.0
83.01263	5.9
83.52383	2.2
85.02827	19.3
86.02363	4.7
87.00754	88.4
88.00278	24.7
89.02324	14.1
95.01235	4.0
96.95875	4.0
99.00759	6.7
101.02321	29.7
104.86591	2.7
109.99985	3.1
112.40886	2.4
113.02337	16.8
116.92747	3.3
119.03387	6.2
121.02806	2.4
123.15181	2.4
125.02280	3.3
136.98729	4.4
143.03328	2.8
143.12416	2.6
148.30879	2.5
149.23462	2.7
161.04454	10.8
198.84254	2.6
236.76198	2.6
241.04990	6.5
269.04453	15.1
270.05234	10.5
271.06131	4.9
285.07681	22.6
286.07974	2.6
315.18292	6.4
357.26505	4.3
370.10086	3.3
459.22345	18.2
477.23386	29.3
519.24902	5.7
519.31677	16.0
537.32837	5.8
579.17120	4.1
579.34064	42.4
580.33917	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	579.2842
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01242	1.7
63.34872	0.5
63.96112	1.2
69.03323	0.6
71.01250	7.8
71.53482	0.6
73.02827	1.5
78.95773	1.2
78.98460	7.2
79.95604	10.4
80.96388	66.9
81.03349	0.8
85.02816	2.9
87.00739	4.0
94.97958	15.4
95.01251	0.8
96.95885	4.3
97.02830	2.2
101.02328	2.6
106.97972	3.4
113.02342	0.8
122.97460	6.4
125.02368	3.2
133.21469	0.6
134.97496	5.1
136.98969	1.5
144.02814	0.6
148.99049	5.4
152.98531	6.8
159.50928	0.6
164.98537	11.3
182.99628	1.7
206.99612	2.5
225.00674	14.7
243.01726	1.4
255.23245	3.0
269.24878	0.8
279.23294	2.2
281.24768	2.4
299.04376	2.2
341.11023	0.8
410.33395	0.6
506.32861	1.2
579.28430	100.0
580.28729	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	579.3052
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	0.6
61.98704	100.0
68.26828	0.7
71.53226	0.8
78.95797	0.8
83.14790	0.6
107.11202	0.7
214.46370	0.6
277.21750	1.5
278.21838	0.9
302.13940	0.7
354.50278	0.7
462.53506	0.6
502.29562	0.7
519.13666	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.3051
Annotation	Unknow
Peak:m/z	Relative Intensity
52.76352	0.3
59.01235	0.2
61.98701	100.0
62.91113	0.2
62.98408	0.3
64.30322	0.2
64.63855	0.2
71.53789	0.3
72.55672	0.2
76.97395	0.2
78.95778	0.7
130.35823	0.3
152.99490	0.6
177.81985	0.2
177.93665	0.2
277.21796	1.2
278.22070	0.4
279.22464	0.3
412.99753	0.3
502.29480	0.8
504.30481	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.3384
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01746	2.8
57.03320	6.2
58.00461	2.1
59.01252	95.7
61.98697	3.7
66.73347	1.0
69.03316	2.3
69.35449	7.7
70.15850	1.0
71.01253	55.0
71.04890	5.2
72.99171	4.6
73.02815	13.1
75.00745	1.7
81.03333	1.3
83.01250	6.5
85.02821	24.9
85.06458	1.3
85.99970	1.2
87.00744	4.3
87.04374	2.7
89.02314	23.1
95.01271	5.0
95.04900	1.0
97.02831	2.0
97.06458	1.7
99.00749	6.4
99.04412	1.3
101.02321	31.1
102.02654	1.0
111.00761	2.8
113.02331	29.5
114.02629	1.0
119.03366	8.8
121.02902	1.3
123.00722	1.1
124.01523	1.0
125.02311	2.3
129.01768	1.2
129.09096	3.1
131.66310	1.0
132.96271	1.0
137.02342	4.8
137.09637	9.3
143.03386	4.1
143.10670	1.2
151.00262	9.3
152.04681	1.1
155.10733	1.7
157.12221	3.3
159.02870	3.6
161.04468	10.9
166.02634	25.5
167.03244	2.3
169.12241	1.4
171.13768	1.7
173.11615	1.1
175.03876	1.2
179.05479	2.5
181.04988	38.9
182.05283	1.4
193.05067	1.3
199.13263	1.1
201.14882	2.6
215.36804	1.1
271.05988	1.5
287.22357	2.2
301.16605	1.8
319.17581	4.3
343.21255	2.7
345.19180	2.5
357.26407	5.0
363.20444	2.3
375.27499	4.3
376.27844	1.2
387.10895	6.7
388.11008	1.6
402.13232	4.3
417.15549	38.9
417.24814	3.3
418.15781	6.3
431.26352	2.4
449.27338	3.8
464.64944	1.3
501.30536	2.0
519.31720	100.0
520.32135	19.1
537.32770	27.1
538.33008	3.6
579.16687	2.3
579.32483	4.4
580.34192	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.3388
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01754	1.8
57.03327	3.9
58.00478	1.4
59.01252	100.0
60.01583	1.2
60.88094	0.5
61.98715	0.7
69.03330	0.8
69.37541	0.5
71.01254	37.6
71.04894	3.0
72.01604	0.6
72.99174	2.6
73.02815	8.9
82.85877	0.5
83.01254	3.5
83.04916	0.6
85.02823	18.4
85.06461	2.6
85.99963	0.7
87.00765	3.6
88.01113	0.7
89.02318	17.0
95.01263	4.6
96.95906	1.7
97.02843	1.3
97.06480	0.8
99.00747	3.9
101.01670	0.3
101.02322	18.4
111.00797	1.5
113.02332	19.6
115.07529	0.6
119.03387	6.7
125.02375	1.8
125.09592	0.6
126.03075	0.7
126.90367	1.7
131.03406	1.4
137.09634	8.0
143.03407	2.8
143.10693	3.2
149.04480	1.5
151.00288	0.6
159.02980	1.5
161.04466	8.6
161.05669	0.7
166.02734	1.1
166.95306	0.5
171.13841	0.8
175.03920	1.2
179.05611	1.9
181.05014	1.3
201.14902	2.8
229.18195	1.5
251.20071	0.7
269.08255	0.5
273.20795	1.5
279.06708	0.6
287.22302	4.4
297.07788	3.1
309.07800	2.8
309.11221	0.9
310.08255	0.7
312.10168	2.2
315.25534	1.8
323.09338	1.2
324.10190	1.7
327.12344	10.0
328.12549	1.1
339.12372	9.7
339.16251	0.9
339.25735	0.7
340.12744	1.4
345.19302	1.2
357.26492	5.4
358.26883	0.7
363.20151	2.6
375.27460	4.0
417.15808	1.7
417.25153	1.2
431.26843	1.0
449.27603	4.5
450.27997	0.7
483.29504	0.6
501.30984	1.5
519.24463	2.3
519.31720	66.2
520.32025	10.6
537.32751	21.0
538.33075	3.4
540.97534	0.6
579.34387	3.4
580.34454	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.1878
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01260	32.3
61.98711	29.3
71.01270	18.4
71.53510	2.5
73.02806	5.5
75.00752	7.8
81.03341	8.5
82.27624	2.6
83.01266	7.6
83.80970	2.2
85.02843	7.5
89.02324	6.8
95.01286	4.0
95.04913	6.3
95.42770	2.8
97.02835	6.4
97.22315	2.5
99.00723	2.5
101.02358	11.3
102.01873	5.7
103.00288	5.4
103.03903	4.9
109.02821	4.6
111.04386	3.8
113.02332	6.1
121.02822	5.3
123.04411	10.6
125.02343	13.1
129.86333	2.3
135.04381	3.0
137.02347	6.3
139.03903	3.9
141.16132	2.4
147.04416	3.2
147.08078	3.0
149.05936	4.7
150.03183	3.9
151.03886	5.1
153.05447	3.7
160.03595	2.8
161.04494	3.5
165.05496	4.7
167.03448	22.8
173.05968	13.0
179.03452	3.3
191.03439	3.5
193.05000	3.3
197.04485	5.4
209.04489	17.9
213.09171	6.3
225.09059	2.8
227.10570	3.8
229.08557	4.7
239.05435	11.4
257.08234	14.5
269.08276	3.9
283.09698	2.7
299.09372	14.2
311.09467	12.2
329.10284	5.6
341.10294	100.0
342.10757	11.3
353.10291	5.4
355.12189	3.1
371.11353	74.5
372.11746	10.7
383.06586	2.4
383.11414	3.1
401.12448	26.4
402.12643	3.5
413.12140	3.3
443.13458	10.6
461.14774	12.7
462.14709	2.8
473.14493	6.9
474.14783	2.6
491.15771	3.5
521.33319	20.6
550.59277	2.6
580.33978	5.3
581.18744	5.5
581.34766	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	581.2242
Annotation	Alangilignoside C
Peak:m/z	Relative Intensity
55.01754	2.4
57.03310	2.0
58.00475	1.7
59.01259	36.0
61.98716	6.5
71.01265	28.2
72.99189	3.4
73.02827	5.2
83.01256	5.2
85.02836	9.1
87.00754	4.9
89.02322	16.7
92.98169	1.4
95.01282	1.8
98.19738	2.3
99.00742	3.7
101.02325	20.8
111.00765	1.6
113.02348	8.9
113.85743	1.3
114.43726	1.4
115.03891	2.6
116.26212	1.3
119.03397	11.0
122.03663	1.4
123.00777	10.3
123.50586	1.4
124.01575	2.1
125.02335	2.5
138.03137	17.6
139.03893	4.0
143.03419	2.8
149.02377	3.0
150.03159	2.4
151.03906	2.0
153.05489	14.1
157.46780	1.3
164.04663	2.1
164.87764	1.3
165.05383	2.8
166.02597	2.5
167.03073	1.3
175.03917	1.6
181.04982	3.5
182.05342	1.8
184.92006	1.2
187.03979	4.5
193.04999	1.5
202.06219	4.9
203.07101	4.1
206.05728	2.1
207.06619	1.4
208.03636	1.5
221.08067	2.2
223.06108	4.6
233.08130	11.7
250.08456	1.3
265.05072	1.4
313.07175	2.4
325.07138	2.0
327.08755	3.0
329.06357	1.7
329.99948	1.5
340.09424	2.7
341.10355	4.0
343.08038	1.6
344.08777	2.9
355.11807	3.5
356.08856	1.7
358.10593	6.9
359.11331	14.6
371.11203	8.4
373.12921	14.5
374.13171	1.5
386.13721	4.5
389.12375	5.9
401.16147	7.3
404.14725	10.0
405.15594	3.1
418.15820	2.1
419.17181	52.7
420.17334	5.4
454.19110	1.4
521.25409	1.8
521.33118	3.3
566.19958	5.4
581.22388	100.0
582.22772	17.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.2241
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01767	1.3
57.03318	3.9
58.00464	2.7
59.01252	100.0
59.20197	1.2
60.01580	2.7
60.88639	1.1
61.98712	6.2
71.01257	64.6
72.99187	5.2
73.02836	8.8
75.00754	1.5
83.01266	6.0
85.02826	22.7
87.00751	5.2
87.04381	2.3
89.02322	56.8
90.18669	1.1
95.01262	4.1
96.95880	1.1
99.00762	3.2
101.02328	40.4
111.00774	2.4
113.02335	35.4
114.02737	1.6
119.03390	28.8
120.03715	1.6
125.02354	2.3
131.03404	3.1
134.03609	3.5
143.03410	6.4
149.04387	2.3
153.05505	1.2
157.12228	1.4
160.01610	2.1
161.04494	10.1
173.11716	1.2
175.00285	2.4
175.02533	1.2
175.03865	6.3
176.52498	1.1
179.05559	11.2
187.13284	1.7
188.04680	1.5
189.05414	2.1
190.02594	4.4
193.04980	6.1
205.05028	9.8
207.06502	1.5
219.06615	1.7
220.07404	2.7
235.06117	1.3
235.09753	3.2
301.98038	1.4
314.11768	1.3
341.10229	2.3
345.22794	3.8
359.28104	4.8
377.29214	7.4
386.13269	1.5
401.16068	27.9
402.16473	3.0
500.23749	1.4
508.48853	1.3
520.31970	2.7
521.33270	90.5
522.33575	11.4
538.33325	1.7
539.34387	18.9
540.34247	2.6
581.34882	4.8
582.18921	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	581.2739
Annotation	Unknow
Peak:m/z	Relative Intensity
52.32059	11.6
53.37087	13.3
53.59594	11.4
59.01250	36.6
61.98718	34.0
71.01272	14.5
71.53453	18.7
120.16191	12.4
253.09351	37.1
291.19620	26.2
305.25845	15.3
309.20859	100.0
372.58835	15.1
377.87048	12.3
545.29895	63.6
546.30627	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	581.2736
Annotation	Unknow
Peak:m/z	Relative Intensity
51.52155	6.6
53.64890	8.6
54.99891	7.4
59.01259	42.2
61.98701	46.9
62.38163	7.2
66.42532	6.7
69.18535	26.8
69.18953	49.2
71.01251	12.6
81.23750	8.9
86.42118	8.8
96.95889	9.4
98.20572	16.0
102.57300	8.0
155.43611	7.2
188.82767	8.3
197.25468	7.9
221.51270	7.9
244.37094	7.1
253.09286	28.4
291.19620	55.1
309.20602	100.0
581.27362	46.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.2998
Annotation	Unknow
Peak:m/z	Relative Intensity
52.27607	2.1
58.09807	2.3
64.88428	2.2
71.01238	8.5
71.53720	3.5
75.32359	2.2
78.98451	3.9
79.95596	8.4
80.96390	54.3
90.08323	2.9
94.97952	17.0
106.97996	2.6
111.61298	2.2
122.97440	4.4
132.16072	2.4
134.97427	4.0
148.99037	3.9
152.98547	6.4
154.58337	2.3
164.98514	8.6
180.24358	2.2
182.99471	3.9
190.36960	2.4
206.99600	4.8
225.00711	15.2
379.91663	2.7
549.19220	2.6
581.30029	100.0
582.30164	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	581.3206
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01240	0.2
61.98702	100.0
69.23414	1.2
69.28804	0.1
75.08216	0.2
75.20463	0.1
78.95795	0.2
82.79592	0.2
82.95980	0.3
91.13956	0.2
94.94802	0.1
106.45168	0.2
152.99472	0.4
157.03676	0.2
160.94850	0.1
220.78641	0.1
248.93945	0.2
279.23264	2.2
279.26038	0.2
280.23755	0.5
281.23984	0.2
504.30811	0.8
581.26990	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.3211
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	0.2
61.98706	100.0
62.62352	0.1
62.98414	0.2
62.99128	0.1
71.01975	0.2
78.95783	0.7
101.88478	0.1
106.54338	0.1
151.51990	0.1
152.01994	0.1
152.99541	0.3
179.09627	0.1
186.25543	0.1
199.61081	0.1
279.23282	1.4
279.26114	0.1
280.23819	0.4
281.24097	0.3
282.24353	0.2
328.71606	0.1
349.98795	0.1
352.05701	0.1
433.23999	0.1
462.79538	0.1
504.31006	0.9
505.31500	0.1
506.31808	0.2
507.31726	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.3547
Annotation	Unknow
Peak:m/z	Relative Intensity
50.19233	0.6
50.25085	0.6
55.01756	1.7
57.03325	5.8
58.00463	2.3
59.01250	73.9
60.01570	0.7
61.98705	10.1
69.03316	1.8
69.44853	4.7
69.87921	0.6
71.01254	36.3
71.04897	0.8
72.01591	0.7
72.99196	3.4
73.02824	9.3
75.00745	1.4
83.01255	4.5
83.04903	0.9
85.02829	17.6
85.06485	0.8
85.10818	0.6
85.99976	1.0
86.03129	0.7
87.00757	4.0
87.04399	1.4
87.64743	0.5
89.02322	12.6
95.01266	5.6
96.95924	0.9
97.02821	1.9
99.00730	4.1
101.02326	18.1
111.00760	1.7
112.01575	1.2
113.02329	20.5
115.07529	2.0
116.92701	0.7
119.03378	4.7
120.99557	2.7
124.01553	1.3
125.02347	1.9
125.09548	0.7
129.09113	2.0
143.03400	2.1
148.03960	0.7
155.10756	0.9
157.12228	3.4
161.04474	5.3
169.12215	0.8
171.13834	0.7
179.05519	1.1
187.13298	2.2
201.14919	2.7
217.14449	1.2
225.10306	1.5
359.28030	3.9
377.29034	7.2
378.29514	0.8
391.30014	0.6
419.12003	0.7
444.15628	1.3
460.24188	0.7
461.24033	2.3
477.30798	0.8
479.24899	3.3
488.14728	0.9
497.26230	0.7
503.32437	1.3
506.16052	0.8
521.33289	100.0
522.33636	19.7
539.34363	26.1
540.34338	4.2
581.35797	7.8
582.35822	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	583.134
Annotation	Unknow
Peak:m/z	Relative Intensity
52.75782	2.3
59.01256	3.2
66.47250	2.1
71.01265	5.7
71.52783	2.8
73.02802	2.7
78.95780	8.6
78.98469	5.3
79.95629	11.8
80.96398	65.9
85.02814	3.5
87.00738	2.9
94.97991	15.1
96.95901	7.0
96.96861	2.3
101.02315	3.0
106.97968	3.5
121.02837	7.4
122.97491	3.4
134.97491	4.6
148.99060	7.5
152.98557	6.5
157.22156	2.2
164.98553	11.8
197.25383	2.1
206.99576	2.5
217.73633	2.0
222.92039	2.1
225.00659	17.6
241.01183	11.8
583.13409	100.0
584.13550	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	583.1339
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17178	1.6
54.79294	1.7
69.54622	9.4
71.01241	4.8
78.98468	3.2
79.95605	6.7
80.96395	42.8
87.00739	3.1
89.68202	2.0
94.97978	11.0
98.19823	3.3
101.02311	2.4
106.72199	1.6
121.02864	4.1
125.02316	2.2
134.97464	2.1
140.58223	1.9
148.99103	4.1
152.98537	4.7
164.98601	9.7
217.48477	2.2
225.00673	13.9
236.88242	1.9
263.18234	1.9
333.51550	2.4
360.98328	1.8
523.40955	2.0
583.13367	100.0
584.13733	15.8
585.54382	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.1513
Annotation	Unknow
Peak:m/z	Relative Intensity
51.65588	12.0
53.10228	12.8
59.01250	25.2
61.98699	29.1
69.38409	91.8
71.01241	39.9
71.56659	12.2
72.99191	15.9
75.00746	28.0
85.02840	46.5
93.03336	24.5
96.95882	11.7
99.00784	18.4
108.02087	15.5
109.02833	57.0
113.02332	37.7
121.02863	22.0
137.02332	51.0
153.01854	100.0
153.50270	12.3
283.60309	13.2
303.05301	11.9
389.10748	13.6
429.12436	41.8
479.23062	15.0
549.14587	37.4
583.14520	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	583.2182
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03335	0.5
59.01253	5.0
61.98700	18.2
63.57268	0.5
69.70447	2.3
71.01258	3.0
73.02834	0.7
75.00757	0.9
81.03346	0.5
85.02849	1.2
89.02353	0.9
93.03328	3.8
95.01259	1.0
96.95882	0.8
99.00784	0.7
101.02332	1.8
108.02116	0.5
109.02876	0.5
111.00837	0.5
113.02351	1.8
113.10825	0.5
116.92776	0.7
119.03384	0.6
121.02830	5.5
122.03629	12.7
123.04443	0.9
133.02841	1.3
135.04459	0.7
136.01521	1.0
137.02348	0.6
148.01495	0.6
149.02341	30.5
150.03127	88.9
151.03465	3.6
159.04684	0.5
160.01593	0.6
163.03923	0.8
164.04715	6.8
165.05476	100.0
166.05811	5.0
175.03961	0.5
177.05482	1.7
180.04190	6.4
195.06555	63.2
196.06891	3.8
222.05110	0.8
224.06790	0.7
249.05365	0.6
255.06302	0.6
267.06610	0.8
267.09836	0.6
268.07318	1.8
279.06641	0.6
283.09662	1.5
284.06989	0.7
296.06830	1.2
297.11108	0.6
299.09210	0.7
307.09589	0.9
308.06757	1.5
308.10495	1.4
309.07458	1.6
309.11035	0.7
311.09229	1.1
312.06290	1.6
322.08496	0.6
323.09067	2.5
324.06284	1.0
324.09808	2.1
325.10620	2.5
326.11398	3.0
327.08649	5.7
328.09277	1.0
337.10886	0.6
338.11328	0.8
339.08545	7.3
339.12332	1.9
340.09067	1.0
341.13687	1.4
342.11029	4.5
343.11426	1.0
354.11118	3.3
356.12430	0.8
357.13419	20.7
357.96417	0.5
358.13837	2.7
369.13422	24.1
370.13919	2.6
451.28604	1.4
457.12665	1.0
461.15814	1.0
473.15869	0.6
487.17331	1.2
505.12692	0.6
505.18707	7.0
506.19019	0.8
517.18188	1.8
522.33057	1.8
523.34869	4.3
524.34790	0.7
535.19714	37.0
536.20013	7.4
553.20221	1.4
583.20905	1.5
583.32251	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.2187
Annotation	Unknow
Peak:m/z	Relative Intensity
59.00987	1.1
59.01252	10.4
61.98703	9.2
71.01249	6.7
71.53590	0.8
72.99166	0.8
73.02811	1.7
75.00749	1.0
79.27368	0.8
80.59707	0.9
85.02806	2.4
89.02311	2.7
93.03355	4.5
95.01274	0.9
96.95880	1.1
101.02306	2.9
113.02309	2.6
116.92688	0.7
121.02847	5.2
122.02817	1.5
122.03625	16.6
133.02783	0.8
135.04483	0.9
136.01570	1.3
137.02376	1.2
149.02344	35.0
150.03131	100.0
151.03442	3.9
164.04692	6.4
165.05486	97.0
166.05775	4.3
177.05420	2.6
179.07101	1.1
180.04211	7.6
195.06557	55.7
196.06857	2.8
199.62714	0.8
224.06827	1.4
268.07397	1.4
280.07257	0.9
281.08115	1.1
283.09744	1.9
285.07596	1.9
293.08026	0.9
295.05997	1.2
296.06747	1.3
300.10019	1.4
307.09607	1.4
308.06876	1.7
308.10327	2.4
309.07556	1.8
311.09222	1.3
312.06393	2.3
323.09128	3.5
324.06461	1.5
324.09973	2.1
325.10794	3.0
326.11700	4.7
327.08740	6.4
327.12100	1.5
338.11612	1.0
339.08810	9.2
339.12436	2.2
340.08801	1.5
340.68295	0.9
341.14038	1.2
342.11075	5.9
343.11499	1.3
354.10925	3.5
355.11740	0.9
356.12424	1.0
357.13431	17.6
358.13669	2.2
369.13437	18.6
370.13885	3.9
378.72925	0.8
461.15903	1.6
505.18735	6.7
506.18912	1.1
517.18854	1.1
522.33813	4.1
523.34467	5.3
535.19763	31.4
536.20050	6.0
541.34900	1.6
553.20691	0.9
583.21118	1.2
583.29059	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.3361
Annotation	Unknow
Peak:m/z	Relative Intensity
58.04513	0.4
61.98703	100.0
71.20587	0.6
73.41934	0.4
78.95775	0.7
88.98724	0.5
141.42308	0.4
151.44594	0.4
152.99484	0.9
189.74168	0.4
235.43341	0.4
236.97234	0.4
251.42740	0.4
281.24930	1.8
283.25626	0.4
436.39481	0.5
506.32483	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.3703
Annotation	Unknow
Peak:m/z	Relative Intensity
51.85526	1.5
58.00471	2.1
59.01251	35.9
61.98703	100.0
69.70126	8.3
71.01253	17.4
72.99172	2.4
73.02803	6.2
75.00734	1.8
83.01256	2.8
85.02827	8.1
87.00764	3.1
89.02321	9.6
95.01261	2.7
96.95898	1.6
99.00766	1.8
101.02318	12.1
111.00747	1.7
113.02316	5.1
116.42274	1.5
119.03376	3.8
139.33104	1.9
141.01598	2.1
149.02316	2.1
150.03072	5.0
161.04474	3.8
161.72751	1.5
165.05455	7.0
195.06648	3.9
271.02170	2.3
361.29623	7.5
523.34851	66.0
524.35315	9.9
535.20142	1.9
583.12018	1.8
583.29120	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	586.0477
Annotation	Unknow
Peak:m/z	Relative Intensity
69.22054	36.3
87.92410	49.9
96.95901	15.3
98.19769	9.1
103.91914	100.0
104.92670	30.7
105.93487	19.7
106.94236	6.0
111.00780	10.9
120.29152	4.3
123.94543	40.3
125.28674	4.5
127.95613	4.9
141.38951	4.4
145.96632	36.0
161.96121	56.9
163.97726	13.0
171.94592	16.3
189.95653	14.2
191.01955	18.6
199.94073	86.1
200.94756	8.5
218.90973	4.9
303.95123	8.8
364.51303	4.8
427.01447	5.5
452.06012	12.5
455.59439	5.2
457.67566	4.9
482.03662	10.7
586.04913	20.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	586.345
Annotation	Unknow
Peak:m/z	Relative Intensity
51.62314	0.4
59.01252	3.6
60.78338	0.3
61.98704	100.0
69.03307	0.6
71.01270	1.4
71.53664	0.4
73.02846	0.5
73.18732	0.3
85.02828	0.6
85.93217	0.4
86.90924	0.4
87.00814	0.4
89.02334	1.3
96.95885	0.4
101.02340	1.1
121.65687	0.4
131.03413	0.5
149.04448	1.0
160.66348	0.4
170.86456	0.4
197.96248	0.4
200.80293	0.4
206.60710	0.4
241.21696	0.4
275.52338	0.4
437.70670	0.4
519.82983	0.4
531.46637	0.4
587.25122	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	587.3073
Annotation	Unknow
Peak:m/z	Relative Intensity
54.59256	0.6
59.01250	15.6
61.98689	1.1
71.01242	6.6
71.52872	1.2
71.53487	0.6
73.02782	0.8
85.02821	1.5
87.00757	1.3
89.02316	4.5
96.35865	0.6
101.02321	5.1
113.02326	3.2
114.08532	0.6
119.03395	1.2
125.05933	0.7
161.04504	1.6
165.12762	14.3
179.05464	1.4
192.94859	0.7
247.20613	7.2
248.20918	0.7
253.09264	22.0
254.09531	1.0
272.97681	0.7
273.18680	3.7
291.19644	100.0
292.20004	11.6
590.80511	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.323
Annotation	Unknow
Peak:m/z	Relative Intensity
57.33434	0.4
61.98708	0.8
64.80535	0.4
70.69106	1.1
72.99184	1.5
73.48665	0.4
75.00751	100.0
76.01095	1.1
78.95778	1.8
80.40439	0.3
86.20418	0.3
96.57506	0.4
107.39227	0.4
129.34546	0.4
130.78000	0.3
133.15477	0.4
194.93974	0.5
209.36774	0.4
247.69724	0.4
268.97690	0.5
275.42020	0.4
277.21765	0.5
283.95300	0.3
307.78906	0.4
313.60596	0.4
400.16040	0.4
422.15329	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.3226
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02125	0.7
53.48077	0.8
54.28952	0.8
61.98688	1.5
70.44279	1.5
70.44609	2.0
71.03887	0.9
72.99171	1.4
75.00745	100.0
76.01085	1.2
78.95776	3.1
93.40463	0.9
96.17281	0.9
100.88103	0.8
104.54788	0.8
124.40836	0.9
162.67862	1.0
229.03433	1.0
258.28821	1.0
268.97400	1.2
277.21674	2.1
322.57162	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	590.2815
Annotation	Unknow
Peak:m/z	Relative Intensity
58.77329	0.3
59.01254	0.5
61.98701	100.0
69.31433	2.9
78.95789	0.5
98.20036	1.6
99.50588	0.4
122.25848	0.4
160.15347	0.5
206.26044	0.4
255.23358	0.5
293.20276	0.4
390.70593	0.5
438.83432	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	590.2817
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	0.5
59.16434	0.2
61.98703	100.0
66.43513	0.2
69.28265	1.9
74.82157	0.2
78.95821	0.3
91.38122	0.2
98.82544	0.2
106.38128	0.2
141.26727	0.2
149.86935	0.2
164.04768	0.2
268.14807	0.2
276.32373	0.2
292.19968	0.3
293.20630	0.4
386.75113	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	590.2818
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01248	8.5
61.98700	85.5
68.71130	4.3
71.01250	15.9
71.53082	5.7
75.00756	40.7
78.95773	6.4
85.02821	12.3
95.01249	5.3
99.00742	5.5
103.12580	4.4
113.02315	13.5
113.56720	5.4
114.32734	4.0
140.42984	4.1
255.23134	5.0
277.21698	38.2
278.22058	4.6
279.23322	8.4
402.92590	5.5
411.26587	4.6
467.44171	4.9
502.10370	4.8
527.28607	100.0
528.28925	13.4
574.24329	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	591.1717
Annotation	Cannabin
Peak:m/z	Relative Intensity
57.03338	0.9
59.01250	8.1
59.06504	0.4
61.98699	2.8
65.00211	0.7
71.01257	4.2
71.20055	0.9
72.99173	0.9
73.02822	1.3
78.95776	1.9
83.01259	0.7
85.02827	1.4
87.00746	0.6
87.04404	0.5
88.98674	1.2
89.02333	1.9
95.01278	0.6
96.01524	0.4
98.19962	0.5
101.02319	2.0
109.99940	2.8
111.00691	0.5
113.02323	1.8
115.53441	0.5
117.45135	0.4
119.01329	0.8
127.37724	0.4
137.02328	0.7
137.99451	1.2
139.05455	0.8
152.99496	1.8
159.02911	0.6
161.04475	0.7
163.00267	10.6
165.98985	3.6
167.37918	0.4
184.05241	2.7
196.05235	2.6
198.03130	2.4
199.13371	1.2
206.99957	0.6
211.03958	1.3
212.04572	0.7
223.03996	0.7
224.04732	1.1
239.03427	3.0
240.04213	1.3
255.23183	2.8
267.02875	3.1
268.03751	100.0
269.04095	10.6
283.06104	91.4
284.06412	9.5
299.12778	0.5
387.27661	0.6
391.22580	0.8
420.94745	0.4
531.32135	4.6
549.32709	1.6
591.33667	0.9
592.32733	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.2084
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03336	1.0
59.01254	18.2
61.98699	2.9
65.21111	0.7
65.70630	0.9
67.14532	0.7
71.01251	6.2
71.53747	1.2
72.99164	0.9
73.02836	2.9
76.61942	0.8
81.03352	0.9
83.01271	0.9
85.02833	3.7
87.00774	1.3
89.02316	3.7
94.50578	0.9
101.02338	3.4
109.02839	1.4
111.00780	2.4
113.02348	3.1
119.38567	0.8
121.02843	2.3
123.00809	1.1
125.02341	0.9
136.01561	41.2
137.02364	4.9
141.76071	0.9
143.03494	0.9
151.00299	9.4
151.03912	53.5
152.04596	1.8
160.03979	5.9
160.05122	1.2
161.04430	1.3
166.02640	22.9
167.03152	1.1
175.03961	1.0
177.01871	1.6
177.05466	1.6
179.05460	0.9
181.03403	1.5
181.04993	30.0
182.05347	0.9
191.03455	0.9
193.04997	0.8
205.08661	1.0
255.23213	1.2
329.10352	2.0
357.09720	11.5
358.10309	1.1
372.12158	6.3
387.14493	100.0
388.14880	11.7
405.21378	1.0
531.31982	7.7
549.32428	1.4
591.30933	4.7
592.20282	1.7
592.30194	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.2298
Annotation	Unknow
Peak:m/z	Relative Intensity
50.86133	1.7
57.03321	4.7
57.50335	2.6
58.00457	2.2
59.01255	86.5
61.59862	1.8
61.98711	2.4
71.01254	58.0
71.53503	3.0
72.13807	2.0
72.99175	5.1
73.02835	10.6
81.86564	2.2
83.01259	4.8
83.12857	1.8
85.02847	16.2
87.00734	6.3
87.99072	2.0
89.01768	2.5
89.02319	48.7
95.01247	3.1
95.04899	2.1
96.95885	1.9
99.04391	4.5
101.02327	32.1
104.00272	2.3
109.47694	1.8
111.04426	3.3
113.02332	25.3
119.03395	19.9
120.32078	2.2
131.03410	3.0
135.04385	2.8
137.09708	2.1
143.03355	3.3
157.06511	3.2
161.04463	8.1
161.13297	18.7
179.05531	14.8
180.05994	2.1
185.13289	3.9
187.11208	26.7
196.69160	2.8
205.12286	35.1
206.12602	3.1
229.12190	10.8
231.10204	2.7
246.69261	2.2
247.13553	2.8
249.11316	72.1
250.11664	5.8
263.54147	2.5
269.13126	2.2
291.12317	4.5
339.08682	2.4
357.13397	6.9
369.13370	4.7
385.18726	4.8
411.16577	16.5
417.17563	2.2
429.17657	100.0
430.17679	13.0
547.27704	5.1
591.21661	11.2
591.30286	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	591.2297
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01757	2.5
57.03320	1.9
58.00474	2.8
59.01250	100.0
60.01604	1.8
61.98702	2.4
69.03327	3.8
70.71200	3.9
71.01257	61.4
71.27406	1.5
72.99175	5.2
73.02827	8.7
81.03326	2.2
83.01260	8.0
85.02814	14.5
87.00758	5.9
89.02316	64.6
95.01270	4.0
96.95902	3.2
97.02795	1.7
98.19939	1.7
99.04395	5.4
101.02324	34.3
103.03917	2.4
113.02337	27.8
119.03392	22.9
125.02306	4.1
127.03820	2.6
143.03429	7.2
149.04462	2.1
149.06059	1.9
161.04459	12.9
161.13269	17.9
163.06044	4.0
163.11223	4.6
179.05493	14.7
185.13274	2.3
187.11221	19.6
205.12277	62.3
206.12526	4.8
210.71597	1.7
219.13745	1.7
229.12317	7.4
249.11288	52.8
250.11603	3.8
291.12289	3.3
369.18958	1.9
376.84198	1.9
385.18652	5.1
411.16605	17.8
412.16745	1.9
429.17609	70.7
430.18137	8.5
531.24420	27.0
532.24756	5.0
541.97064	1.8
549.25446	17.7
550.26123	4.2
591.23181	7.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.2481
Annotation	Tiliacorinine 2'-N-oxide
Peak:m/z	Relative Intensity
53.97795	1.0
59.01251	4.5
64.41045	1.1
68.80891	1.2
69.27888	4.4
69.28320	5.6
71.01260	8.0
73.02818	3.0
78.95769	3.4
78.98457	4.4
79.95599	10.3
80.96391	67.6
85.02815	2.5
86.03038	1.2
87.00757	2.3
94.97960	16.2
101.02323	3.0
106.97961	3.1
122.97458	4.8
125.02351	3.0
134.97455	5.2
148.99042	5.7
152.98509	6.4
152.99565	2.4
164.98521	11.4
182.99612	3.8
199.13277	1.5
206.99605	3.2
225.00682	17.5
255.23318	3.7
274.88040	1.2
291.19696	2.6
299.04471	3.6
317.04993	1.4
437.94656	1.3
481.99228	1.1
572.09949	1.2
591.24817	100.0
592.25073	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	591.3386
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	100.0
61.98716	19.3
62.73374	4.1
69.94838	12.5
71.01247	32.3
73.02809	6.2
75.10271	3.1
78.95775	27.6
81.00309	3.3
85.02833	10.3
89.02313	11.0
90.99390	3.6
96.48730	3.6
99.00764	6.7
101.02315	19.4
103.66635	3.6
113.02338	16.6
139.56953	3.7
152.99512	13.7
160.41592	3.8
161.04539	6.7
199.13319	10.2
222.36037	3.8
255.23296	21.0
325.33673	4.5
369.22861	11.7
465.17551	4.1
487.32855	34.2
488.33075	4.9
493.21426	3.7
505.33939	8.6
531.28412	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	591.3388
Annotation	Unknow
Peak:m/z	Relative Intensity
51.42530	1.3
56.77385	1.4
57.03313	2.3
59.01251	100.0
61.98696	3.2
71.01255	22.4
73.02808	5.7
83.01257	3.1
85.02818	13.6
87.00725	1.6
89.02313	4.2
95.01237	2.2
99.00727	2.4
101.02320	13.1
113.02333	11.9
121.10155	3.7
125.02299	2.5
147.04343	1.6
161.04446	6.1
224.79314	1.6
301.47263	1.4
329.19635	2.2
355.37076	1.5
487.32755	50.4
488.33057	10.5
505.33847	17.7
506.34409	2.2
598.56537	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.3386
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01752	3.2
57.03329	4.0
57.05049	2.6
59.01252	100.0
61.98685	8.0
69.27685	14.5
69.28091	5.5
71.01253	23.4
71.22907	2.6
73.02822	5.2
75.25193	2.5
83.01241	4.9
85.02826	10.7
87.25806	2.5
89.02309	8.1
98.19839	5.6
101.02328	12.8
113.02334	16.0
116.34899	2.5
149.04535	4.0
161.04376	4.7
227.50385	2.4
337.44003	2.6
469.31708	4.3
487.32819	34.7
488.33264	5.3
505.33615	7.0
506.34244	2.9
531.27863	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	592.2975
Annotation	Unknow
Peak:m/z	Relative Intensity
50.76385	4.4
53.99047	4.8
61.98711	42.9
71.53598	5.3
72.45523	4.7
72.88602	4.0
75.00755	11.2
78.95775	13.7
85.02831	10.9
96.95893	100.0
96.96851	7.8
113.02332	12.5
114.20253	4.8
118.75380	4.3
121.02829	7.7
121.52855	3.9
152.99496	8.9
182.47849	5.5
279.23392	42.7
280.23544	5.5
297.80051	5.7
507.27017	7.5
529.30194	59.0
530.30280	12.2
593.15167	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	592.2977
Annotation	Unknow
Peak:m/z	Relative Intensity
60.47660	1.3
61.98701	100.0
63.66127	1.1
69.21867	2.7
69.22277	8.3
78.95797	1.4
98.20555	2.9
101.82191	1.3
106.30479	1.4
110.64347	1.3
121.02861	2.3
165.01802	3.3
283.72971	1.5
395.27902	2.6
592.25018	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	593.1518
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01258	96.2
61.74419	2.3
69.71658	13.3
71.01258	49.8
72.99182	10.8
73.02817	12.7
83.01257	7.1
85.02824	16.5
87.00755	7.3
89.02317	24.9
93.03332	2.7
95.01301	3.1
96.95918	3.6
97.02789	2.9
98.20175	8.9
99.00804	3.5
99.04413	5.5
100.02666	2.5
101.02325	24.6
113.02337	18.7
119.03387	9.1
125.02406	3.9
134.03590	3.6
134.39799	2.7
143.03432	3.1
160.01595	11.8
161.04469	8.2
172.77432	2.8
175.02576	3.6
175.03885	15.4
179.05580	5.6
179.29442	3.2
193.04999	7.3
207.13989	3.2
227.03510	25.1
228.04158	2.5
232.90474	2.7
251.12820	17.6
252.02013	3.0
255.02994	47.5
256.03525	7.3
283.02603	3.6
284.03268	60.9
285.03952	27.6
337.09521	5.2
359.15070	9.5
431.19150	16.0
503.15744	4.7
515.28558	3.5
533.25537	26.0
551.27277	13.3
593.15216	100.0
593.31812	49.6
594.15344	15.5
594.31531	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.1512
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01253	5.8
68.90675	1.4
70.82449	3.8
71.01231	3.8
71.62170	1.3
82.80252	1.4
89.02338	3.2
107.01264	3.1
107.99741	1.4
151.00278	4.4
159.04449	1.4
163.00302	3.0
171.36803	1.6
211.04044	2.9
227.03462	27.1
228.03688	3.3
229.05022	10.6
239.03461	2.1
255.02980	50.2
256.03497	6.4
257.04553	6.9
275.98129	1.8
284.03262	59.8
285.04041	100.0
286.04352	10.0
430.18011	1.7
431.19131	3.2
550.73419	1.6
593.15149	92.4
594.15497	19.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.1516
Annotation	Unknow
Peak:m/z	Relative Intensity
54.87159	0.5
56.76039	0.5
57.03312	0.6
59.01249	6.9
61.98697	2.0
65.00184	0.8
69.20967	1.5
69.21389	2.5
71.01266	3.5
72.99174	0.5
73.02828	1.3
75.00760	0.8
83.01255	0.7
85.02824	1.9
87.00747	0.8
89.02316	1.6
96.95891	1.0
101.02343	2.5
109.99983	0.9
111.00757	1.1
113.02308	1.5
120.54365	0.4
123.00758	0.5
135.64435	0.4
136.98706	1.3
139.00356	0.6
141.06978	0.6
143.04868	0.5
151.00310	0.6
151.05472	0.5
161.04532	0.5
165.98994	1.5
169.06456	2.5
171.04402	0.8
184.05255	0.5
195.04466	1.0
197.06036	2.4
199.03896	1.2
205.04860	0.8
211.03929	0.9
212.04646	0.6
213.05472	0.8
223.03990	2.8
225.05325	0.5
227.03442	1.3
239.03398	1.7
241.05051	2.7
242.02173	0.9
243.02940	3.4
251.03496	2.1
255.02875	2.3
257.04581	0.7
267.02911	1.7
268.03760	16.7
268.06689	0.8
269.04550	100.0
270.01971	1.0
270.04874	8.9
271.02490	4.0
285.03998	1.9
299.01926	8.3
300.02545	1.0
311.05624	1.1
314.04370	9.0
315.05051	2.2
349.64395	0.6
376.80103	0.5
431.09827	64.2
432.10114	9.1
489.26547	0.6
533.29718	0.9
549.29175	1.7
593.15149	12.7
593.30872	2.0
594.15485	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.1878
Annotation	Didymin
Peak:m/z	Relative Intensity
52.27715	0.2
52.83185	0.2
59.01252	3.1
61.98703	7.0
65.00194	4.1
68.99689	0.6
71.01257	1.3
72.99178	0.5
73.02813	0.5
75.00791	0.2
78.95758	0.5
80.99693	0.3
82.00529	0.3
83.01262	0.3
85.02809	0.6
87.00736	0.3
88.98692	0.4
89.02310	0.6
95.01275	0.5
96.99200	0.5
97.99992	0.2
101.02313	1.0
108.99241	0.4
109.99979	14.5
111.00780	0.8
112.88406	0.2
113.02332	0.8
115.08659	0.3
123.00797	1.5
124.01550	0.8
124.98700	0.4
125.02359	0.2
125.99493	2.2
136.98701	9.6
137.02335	0.5
137.99492	6.8
139.00166	0.4
141.98953	0.6
151.00166	0.4
152.01068	1.9
152.99478	0.3
153.98880	0.4
164.98215	2.8
165.98991	16.5
166.99249	0.3
169.06516	1.8
171.04443	3.7
173.05899	0.4
178.99799	1.7
180.00555	0.8
180.59598	0.2
181.01346	0.4
181.06450	0.9
189.99005	1.2
197.05980	0.5
199.03940	0.7
201.05489	0.6
213.05524	1.7
214.06265	0.8
215.12834	0.3
225.05399	0.2
226.06285	0.7
241.05022	24.4
241.08893	0.6
242.05652	3.4
243.06557	0.4
246.05307	0.7
253.05215	0.3
255.23242	0.6
256.07349	0.8
267.06580	0.6
269.04544	36.9
270.05304	49.9
271.05695	4.3
277.33307	0.2
283.06226	0.4
284.06842	1.0
285.07672	100.0
286.08017	8.9
294.05341	1.6
295.05948	0.5
296.06683	0.3
309.07712	3.3
310.07983	0.3
312.06570	0.3
327.08707	3.3
328.09149	0.4
336.06445	0.3
351.08630	0.3
354.50720	0.3
391.22528	0.4
473.27969	0.3
511.12140	0.3
531.28040	1.2
533.29883	0.8
560.07306	0.3
578.16284	4.5
578.24756	0.4
579.16528	1.2
593.18744	20.3
594.19086	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	593.2243
Annotation	Unknow
Peak:m/z	Relative Intensity
55.58244	0.5
59.01251	11.8
61.98691	1.7
69.45935	2.7
69.46344	0.9
71.01254	5.7
72.99194	0.7
73.02810	1.9
73.97087	0.5
75.00737	0.9
76.64337	0.5
78.87177	0.5
85.02810	2.7
89.02327	2.0
93.03326	0.9
95.01262	0.8
96.95872	1.5
99.00721	0.7
99.04395	1.2
101.02315	3.8
108.02131	0.5
111.00804	0.9
113.02333	2.9
119.03398	1.1
119.04990	0.5
121.02844	2.6
137.02354	1.0
145.02847	1.0
146.32677	0.5
147.04404	2.1
151.00282	0.7
161.04514	0.6
162.03105	0.6
163.03934	5.2
168.04315	0.6
173.02504	0.5
174.03075	2.5
175.03914	12.5
175.97934	0.5
176.04684	3.5
177.05504	1.0
179.03383	1.3
179.05490	0.9
180.04204	11.4
181.04631	0.7
188.04678	2.3
189.05502	7.6
190.06267	19.4
191.07066	12.6
192.04243	0.7
193.05002	10.0
194.05759	6.3
195.06265	0.7
203.07057	2.1
205.08644	14.6
206.08897	1.0
207.06578	5.1
208.07338	8.5
221.08182	0.6
223.09676	1.6
227.03491	2.0
229.05009	0.9
251.12738	1.6
255.03014	4.8
284.03207	4.8
285.04016	13.0
286.04449	1.5
326.29254	0.6
329.10449	0.8
343.21097	0.8
344.12616	2.8
345.12759	0.7
359.14993	100.0
360.15323	13.3
389.16110	1.9
413.17755	0.5
431.19092	2.0
522.74493	0.6
533.29358	1.0
549.28888	0.9
593.15265	6.6
593.32336	5.7
594.16150	1.0
594.32220	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.273
Annotation	Unknow
Peak:m/z	Relative Intensity
54.17809	0.6
58.84537	0.8
59.01236	0.7
67.89693	0.6
69.17580	0.5
78.95773	72.8
82.41346	0.6
93.93616	0.5
96.96839	13.5
98.19803	2.2
98.39992	0.6
108.99734	0.6
121.02822	0.6
150.97937	1.3
152.99487	100.0
153.99849	1.9
167.22733	0.7
171.00525	2.4
221.55075	0.6
223.00069	10.8
229.69547	0.8
237.54710	0.6
241.01143	25.5
242.01430	0.7
259.02237	1.8
277.21713	48.8
278.22046	5.1
315.04861	18.0
316.05222	0.8
333.05820	1.4
431.21310	0.6
486.26096	0.7
593.27295	81.0
594.27533	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	593.2734
Annotation	Unknow
Peak:m/z	Relative Intensity
52.00692	1.5
78.95776	100.0
94.61866	2.1
96.96843	16.6
116.98127	1.8
118.91085	1.6
121.02839	5.1
123.26674	1.7
152.99489	62.7
153.89241	1.7
209.04510	3.9
221.95561	2.1
241.01143	26.0
255.23100	2.0
277.21716	34.6
278.22116	4.1
315.04889	7.1
413.21136	4.6
431.21988	5.4
593.27295	77.7
594.27643	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	593.2732
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39079	0.9
55.04840	0.7
59.01233	1.3
61.98697	1.6
62.96290	1.0
68.59092	0.8
70.44733	3.2
75.00755	4.6
75.88544	0.8
78.86510	0.9
78.95773	66.9
95.76939	0.7
96.96851	12.9
101.42912	0.8
106.17553	0.8
107.99636	0.8
118.48182	0.8
121.02838	3.4
124.29765	0.9
138.52715	0.9
141.61487	1.0
142.76073	0.9
150.97900	1.1
152.99492	100.0
153.99829	1.6
171.00580	3.0
207.41339	0.9
209.04512	2.7
223.00095	8.5
241.01180	24.6
242.01352	1.2
259.02237	2.2
268.63525	0.9
277.21732	41.8
278.22052	4.0
315.04892	16.5
333.05887	1.8
381.23022	1.0
413.20914	1.2
431.21948	3.1
593.27307	76.6
594.27844	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	593.3543
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01751	2.2
57.03335	3.5
59.01249	100.0
61.98702	20.6
62.93024	2.4
64.33387	2.5
70.29620	4.0
70.29974	6.5
71.01238	19.6
72.99188	3.6
73.02816	3.3
78.95779	6.3
85.02811	6.7
87.00701	2.7
89.02319	4.5
96.95909	3.3
98.19765	2.5
99.00755	3.5
101.02313	12.6
113.02327	10.0
140.54530	1.8
146.89476	2.5
152.99516	4.5
161.04456	3.2
179.05803	2.4
201.14864	6.1
255.23285	8.3
284.02975	2.4
285.07584	2.9
299.25748	3.7
345.30017	4.0
390.58966	2.3
489.34299	41.9
490.34567	12.3
507.35452	22.8
508.35236	3.3
533.29926	3.8
549.36157	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	595.2891
Annotation	Unknow
Peak:m/z	Relative Intensity
53.74250	1.1
56.95704	1.1
61.98704	1.5
67.55454	1.2
75.24749	1.3
78.95773	67.6
79.79540	1.3
87.00806	1.2
96.96843	11.6
100.61358	1.2
106.68343	1.2
121.02823	1.8
150.97913	2.5
151.73018	1.4
152.99487	100.0
171.00525	3.6
241.01086	9.6
245.75330	1.4
279.23300	19.3
280.23792	1.6
315.04782	3.9
347.44067	1.5
415.22592	1.5
433.23566	19.6
434.23923	3.1
557.49988	1.5
595.28864	31.8
596.29077	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	597.1672
Annotation	Unknow
Peak:m/z	Relative Intensity
65.89969	4.4
67.57607	5.4
70.39111	8.9
72.99173	18.4
80.96374	4.5
93.03316	7.1
96.95897	17.4
107.04880	5.5
108.02074	5.5
109.02799	5.1
115.67559	4.5
133.02855	5.0
136.37936	4.5
152.01118	6.7
165.05481	49.4
179.03406	10.2
193.05038	11.1
255.02544	6.8
255.05110	100.0
256.05536	6.1
288.86023	4.8
395.32617	4.6
433.55652	4.6
435.09360	8.6
568.15088	4.6
597.14514	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	597.387
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03334	0.5
58.02851	0.4
58.76812	0.4
59.01248	4.6
61.98703	4.9
71.01242	2.7
71.24622	0.6
73.02816	1.2
75.00746	1.0
79.90263	0.4
81.02837	0.6
81.03327	17.1
83.04898	46.8
84.05206	1.0
85.02826	0.9
89.02320	1.1
100.07560	6.4
101.02314	1.4
113.02313	1.0
113.50806	0.5
125.07014	0.5
126.05486	1.0
136.01598	0.6
145.04898	0.5
149.02330	0.5
150.02971	0.4
178.02711	0.4
191.07239	0.7
192.04329	0.6
199.03831	0.8
199.18108	8.5
200.18198	0.6
207.14914	1.2
212.71556	0.5
223.06029	0.8
224.06288	0.5
224.17520	0.6
225.16031	11.4
225.18111	0.8
227.03221	0.6
243.17111	23.4
244.17439	1.0
265.07141	1.8
269.15128	2.1
270.05124	0.9
271.06030	1.1
285.07672	2.8
286.08075	0.8
300.10016	2.4
301.10669	1.3
309.21829	1.3
331.11835	2.5
332.12167	0.6
351.85071	0.5
353.20737	7.0
354.20953	1.0
433.31992	0.6
451.32852	2.3
469.33942	16.3
470.34531	2.1
496.46432	0.5
537.33087	0.6
579.37695	3.5
580.37988	0.5
597.38763	100.0
598.39111	18.1
606.74005	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	598.2803
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02846	6.8
59.01246	1.0
61.98692	1.0
66.03342	0.9
69.81590	2.5
69.85004	0.5
70.02855	0.9
70.55216	0.5
72.00784	0.9
72.62563	0.6
74.01918	0.9
74.02342	17.6
75.13682	0.5
81.04447	1.1
82.02860	2.0
86.02355	6.2
86.05998	1.0
86.98982	1.3
87.05521	3.0
88.03906	0.7
90.00072	0.8
96.04422	0.8
97.03950	2.0
98.20573	0.6
99.05519	14.6
99.74434	0.5
101.07062	2.2
102.05487	1.9
107.06031	0.9
109.03930	2.2
111.05524	1.5
112.03923	1.6
113.03478	0.7
113.07099	0.6
116.01659	1.2
118.45668	0.6
120.01153	0.6
121.47648	0.5
123.05537	1.7
124.03913	1.2
125.03457	1.7
126.01871	0.6
127.05043	2.6
128.03432	38.4
129.03760	0.8
129.99590	0.7
131.04512	0.7
135.05545	3.9
137.07094	1.0
139.04990	0.5
141.06607	4.0
143.04523	55.5
144.04898	1.3
145.06065	2.7
146.04482	5.1
146.39639	0.5
153.06601	3.7
155.08150	0.6
160.00655	15.7
166.09738	2.5
167.04512	4.1
167.08177	2.2
170.03270	1.0
171.04031	1.5
171.07593	0.6
177.03316	6.3
179.04549	12.2
180.04930	0.6
181.06104	1.8
184.10820	0.8
185.05595	2.0
192.07704	1.4
197.05617	1.7
198.08734	1.2
210.08766	10.0
228.09906	0.8
242.07835	0.7
254.07814	18.4
255.08150	1.2
272.08865	28.6
273.09140	2.0
288.06580	10.9
289.06918	0.7
291.19391	0.6
306.07648	100.0
307.07965	6.2
580.27460	0.8
598.28046	8.4
599.28235	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	598.2803
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23091	0.8
52.43421	0.7
58.02847	12.4
59.01254	1.7
60.97371	0.8
61.98698	1.0
62.89615	0.8
66.03364	1.3
70.67230	1.6
72.00771	1.7
72.97397	2.5
74.00562	1.4
74.02342	23.8
81.04444	1.6
82.02856	3.5
83.98460	0.7
84.04429	1.0
86.02341	12.4
86.05975	2.3
87.05510	4.2
88.03917	1.1
97.03943	3.2
99.05510	20.5
100.00269	2.8
101.07079	3.0
102.00009	0.8
102.05489	4.8
107.06068	1.9
108.04431	0.9
109.03958	4.0
109.07570	1.4
111.05509	1.4
112.03923	2.3
113.04176	1.1
116.32026	0.8
123.05506	1.2
125.03451	2.5
127.05005	2.9
128.03424	65.4
129.03781	1.7
135.05530	6.1
137.07054	1.3
139.04945	1.0
140.94559	0.7
141.06610	3.9
143.04520	78.0
144.04880	1.2
145.06059	3.6
146.04485	8.9
153.06619	3.9
153.37643	0.7
165.12695	1.0
166.09790	3.8
167.04526	3.5
167.08218	4.1
169.06116	0.9
170.03267	1.7
171.03979	1.8
179.04530	19.4
180.04817	1.3
181.06113	2.4
185.05579	3.7
192.07739	2.4
197.05560	3.3
210.08766	20.9
228.09808	1.7
254.07788	48.3
255.08133	2.3
256.11386	2.4
272.08865	100.0
273.09180	6.5
291.19601	2.7
304.06271	1.2
325.18414	5.8
345.61981	0.9
469.23773	3.5
502.85696	0.9
580.26819	4.3
598.27997	27.4
599.28278	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	601.4113
Annotation	Unknow
Peak:m/z	Relative Intensity
61.03167	6.5
64.30269	7.2
71.54162	10.2
75.41351	6.1
90.82165	7.4
160.55255	6.2
259.64438	6.7
274.89301	7.0
291.19675	47.1
309.20718	100.0
583.40631	11.8
617.29248	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	601.411
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03335	1.3
65.71339	0.9
70.28060	1.6
70.28439	1.8
75.59154	0.9
111.08070	1.5
139.11209	1.0
153.12779	2.0
155.10648	1.1
165.12741	3.0
167.10699	1.5
181.12193	1.8
199.13338	1.2
221.15291	1.1
247.20596	4.5
250.83630	1.0
273.18588	2.4
291.19647	26.7
292.19958	1.9
309.20709	100.0
310.21024	8.2
329.89331	1.1
583.40173	4.7
584.40076	1.4
594.44586	1.2
601.41132	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	602.2984
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01236	5.1
61.98695	4.6
66.03355	5.1
71.01239	1.9
71.02378	2.1
71.40206	2.1
82.02853	24.2
94.02853	2.1
97.00301	2.5
98.01107	11.4
99.01902	3.1
108.04432	8.7
109.03972	4.9
110.02351	2.2
111.03143	3.8
111.05514	2.4
112.03897	3.3
119.04896	2.0
120.04437	3.7
126.55672	1.7
127.05006	13.1
128.03407	7.2
129.10223	12.4
131.56395	1.9
134.06055	2.1
137.03464	6.3
139.04962	3.0
146.06024	22.1
155.08165	91.3
156.08517	3.2
162.05478	2.2
177.02965	2.1
177.06480	1.8
179.08232	19.7
189.06546	3.0
193.01868	2.0
196.24394	1.6
203.06656	2.2
204.07655	3.3
204.23627	1.8
205.06087	3.4
207.11339	3.3
208.42033	2.0
222.12355	3.0
223.10794	4.5
224.13969	5.6
242.11971	2.9
247.11006	2.5
266.11862	55.2
267.12149	5.1
283.14661	2.7
300.13324	2.0
335.17316	2.6
360.19492	3.3
378.18082	6.5
394.17700	31.8
395.17667	4.4
396.22894	33.2
397.23044	5.4
400.57916	1.8
422.20816	26.1
423.21112	3.7
432.62534	2.1
469.57651	1.8
474.23669	4.0
486.65543	2.0
491.26370	6.2
507.26282	2.3
518.25372	5.0
519.26031	11.1
520.26837	2.6
558.30768	3.5
559.30457	2.1
584.28876	15.5
602.29797	100.0
603.30176	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	603.3023
Annotation	Unknow
Peak:m/z	Relative Intensity
60.99178	7.3
63.58464	2.7
63.61600	2.5
78.95779	3.6
81.15015	2.5
81.39109	2.3
86.67899	2.3
87.00743	6.2
88.00280	13.5
88.98679	43.6
89.02322	100.0
98.20545	5.5
148.90894	3.0
186.64442	2.7
324.97702	2.9
413.76733	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	603.3026
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01253	4.4
60.55271	1.3
60.99179	3.5
63.52610	1.0
65.37837	1.1
71.53732	1.1
87.00752	4.5
88.00285	13.0
88.01122	1.3
88.98683	23.6
89.02324	100.0
90.02682	1.6
102.26476	1.1
148.90880	1.8
165.54611	1.1
199.81421	1.2
277.21735	1.6
324.97824	1.4
385.33783	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.3387
Annotation	Unknow
Peak:m/z	Relative Intensity
51.41406	1.2
59.01251	100.0
60.01601	1.5
61.98697	2.4
65.87323	0.9
70.02428	4.2
71.01244	2.5
75.19488	1.1
77.79891	1.2
84.99776	1.1
89.02276	1.4
89.48486	1.2
152.99553	1.5
253.09189	1.4
289.18036	3.4
307.19229	1.6
518.82153	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.2408
Annotation	Trigonosin B
Peak:m/z	Relative Intensity
71.53781	5.0
71.54163	4.2
141.29665	3.6
152.99545	3.2
197.94412	3.1
443.86636	4.0
460.60516	3.7
473.19656	6.1
473.64783	4.4
513.19287	4.7
514.20105	11.1
529.22491	100.0
529.30408	5.2
530.22815	21.1
613.69031	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	605.3178
Annotation	Unknow
Peak:m/z	Relative Intensity
50.65858	2.0
57.03316	3.3
59.01249	100.0
59.60452	2.2
61.98710	6.3
62.66206	1.9
62.74766	2.0
69.17867	2.1
69.36761	18.4
71.01247	32.9
72.99197	2.6
73.02821	12.3
77.17617	2.4
83.01266	4.2
85.02819	18.5
89.02307	7.0
95.01235	2.8
96.95856	2.5
98.19875	5.2
99.00742	3.0
101.02325	18.2
108.60262	2.2
113.02309	9.4
119.03396	2.3
161.04454	4.1
174.72223	2.2
193.04918	2.4
395.91348	2.5
463.43091	2.3
475.32718	3.3
501.30609	3.4
519.32495	3.6
545.30292	2.7
561.32764	94.1
562.33051	19.1
609.24457	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	605.3184
Annotation	Unknow
Peak:m/z	Relative Intensity
50.06660	5.2
59.01258	61.3
61.98700	22.1
62.61695	5.9
64.89304	5.4
71.01251	13.6
71.45361	7.4
78.95784	6.2
82.45571	5.7
83.52537	5.7
85.02834	10.0
86.92332	6.9
101.02339	9.2
119.98940	5.8
165.12744	7.8
195.58607	6.0
196.99229	6.9
247.20720	6.7
253.09305	36.3
280.49402	6.8
291.19711	87.6
292.19955	8.6
309.20694	100.0
310.21036	12.0
329.49930	6.9
331.13950	5.9
520.10156	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	605.3543
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	100.0
61.98701	6.3
70.06023	6.0
78.95785	4.2
98.20509	3.8
101.02250	3.1
141.38971	2.9
158.03769	2.6
163.14328	3.1
202.95296	3.3
221.97693	3.3
502.39035	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	607.3336
Annotation	Unknow
Peak:m/z	Relative Intensity
55.34003	2.8
59.01250	100.0
61.98698	11.6
65.74460	2.4
71.01252	37.9
71.11489	6.6
71.77235	3.4
71.90441	3.4
72.99211	3.1
73.02824	10.8
78.95814	2.6
83.01244	3.6
85.02837	13.8
89.02318	14.8
90.64400	2.8
93.73962	3.1
99.00758	3.5
101.02324	20.0
102.92392	2.6
113.02328	19.3
119.03419	6.7
128.07014	3.1
132.07658	2.8
138.52837	3.2
146.00482	3.3
161.04430	7.3
179.05597	3.0
181.12228	3.3
201.14978	4.7
241.04999	16.1
243.03127	4.0
269.04568	45.9
270.04773	7.2
271.02295	3.2
284.06967	4.3
288.14694	2.9
299.01889	6.6
299.09238	54.4
300.09564	5.5
426.21542	3.3
427.22672	10.3
485.31454	4.5
503.24948	3.6
503.32278	50.4
504.32480	7.9
521.32959	15.5
522.33350	3.2
547.28040	10.4
607.16681	4.6
607.28510	17.4
608.28168	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	607.3337
Annotation	Unknow
Peak:m/z	Relative Intensity
58.83939	5.0
59.01249	100.0
60.24552	4.5
61.98708	10.4
67.43639	4.5
69.27132	4.9
71.01250	39.2
71.02696	10.3
72.99191	4.9
73.02828	9.3
78.91036	3.8
85.02820	23.2
87.00735	5.9
89.02312	11.0
101.02324	20.1
107.69490	4.4
110.78984	4.2
113.02322	19.2
120.99582	5.1
149.15169	4.0
161.04478	7.5
174.43965	5.2
201.14960	7.4
284.03281	9.1
299.05609	13.9
359.28036	5.5
411.54117	5.2
450.33966	4.2
503.32361	98.8
504.32513	16.3
521.33221	28.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.3336
Annotation	Unknow
Peak:m/z	Relative Intensity
53.48444	2.9
57.03321	5.5
59.00950	5.1
59.01250	100.0
61.98702	5.2
70.82561	4.7
70.82919	3.6
71.01250	40.9
71.04898	4.3
73.02827	11.9
75.00761	3.8
83.01257	5.9
85.02819	23.9
89.02319	12.0
95.01266	4.2
99.00794	2.7
101.02318	22.9
110.05222	3.3
111.00738	3.5
113.02321	27.0
119.03381	5.4
125.02376	3.8
129.01846	6.6
137.09651	12.1
143.03470	2.6
159.02856	3.2
161.04466	11.6
176.75395	2.6
180.20102	3.3
186.71350	2.7
209.11803	16.7
213.18449	4.5
219.33778	2.9
251.66252	2.7
258.01379	2.6
341.27014	3.0
375.84616	3.1
377.99161	2.8
415.14404	3.2
433.27762	5.6
467.94946	3.7
485.31155	4.7
503.32269	94.0
504.32520	17.8
521.33350	31.8
522.33905	4.4
563.34003	5.3
630.08167	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	608.2924
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	0.3
61.98702	100.0
62.98412	0.2
67.55181	0.1
70.44955	0.4
70.45314	0.1
71.01253	0.4
78.07152	0.1
78.95762	0.2
78.98488	0.3
79.95589	1.0
80.96389	3.3
87.00761	0.2
88.85101	0.1
94.97956	0.7
101.02362	0.2
106.97968	0.1
122.97430	0.3
123.09611	0.1
125.02309	0.1
134.97504	0.2
148.99066	0.4
150.66064	0.1
152.98558	0.3
164.98552	0.5
177.38585	0.1
182.99718	0.2
206.99603	0.3
225.00687	1.2
248.43011	0.1
283.02533	0.2
291.19843	0.2
299.04446	0.2
467.53690	0.1
579.01666	0.1
608.24902	0.3
609.25818	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	608.293
Annotation	Unknow
Peak:m/z	Relative Intensity
55.18728	4.7
61.66198	4.2
61.98705	100.0
71.53619	4.8
74.39021	5.1
76.76766	6.3
78.95783	10.3
81.20342	4.0
85.02844	4.3
130.78281	4.5
192.28270	4.6
207.49146	4.4
464.28354	5.1
609.26141	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	608.2928
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84996	0.2
55.33059	0.2
59.01254	0.4
61.98706	100.0
62.98398	0.2
64.81723	0.2
66.52336	0.2
70.03041	0.7
73.03732	0.2
78.95807	0.2
105.55669	0.2
162.61694	0.2
182.11665	0.2
224.56451	0.3
263.97736	0.2
285.76233	0.2
299.69757	0.2
424.65894	0.2
524.37549	0.2
609.26422	0.4
619.62726	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	608.3206
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01248	1.8
59.29111	1.0
60.99176	14.8
61.98661	1.6
71.01254	1.8
71.53243	1.6
71.53666	1.0
71.54028	1.1
77.53157	1.0
78.95776	5.2
85.02831	3.6
87.00743	1.2
88.00280	3.1
88.98679	100.0
89.02318	8.7
89.99013	1.7
92.42289	0.9
96.96848	1.5
107.26661	1.0
113.02322	2.5
130.78595	1.1
150.99986	0.9
271.02512	1.4
277.21683	5.9
279.23331	2.1
346.05487	1.9
406.17746	1.2
527.28748	15.9
609.14233	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.1463
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	9.1
61.98698	2.4
65.00187	1.8
69.63852	4.1
69.64261	2.5
71.01262	7.0
72.99161	1.3
73.02821	2.3
73.61674	1.2
76.36524	1.2
77.62208	1.4
79.12753	1.1
85.02809	2.4
87.00739	1.7
89.02304	3.9
96.95899	3.3
101.02325	5.1
107.01264	3.3
108.02071	1.8
109.02841	1.9
113.02303	2.7
119.03394	2.5
121.02807	2.1
150.03087	2.2
151.00266	11.3
153.09030	1.3
155.10667	2.6
163.00238	2.9
165.05469	2.5
178.99777	6.8
199.09747	1.3
215.87082	1.2
225.11272	2.9
226.02786	2.3
227.03462	3.6
243.02989	10.8
244.03320	2.2
254.02162	3.2
255.02968	30.0
256.03458	2.2
271.02481	54.1
272.02979	5.9
280.49045	1.4
285.04071	2.1
298.78854	1.4
300.02747	100.0
301.03452	41.6
302.03842	2.9
313.03506	1.8
323.09689	3.1
405.17752	2.3
549.26178	2.7
609.14594	75.4
610.14807	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	609.1461
Annotation	Unknow
Peak:m/z	Relative Intensity
54.72158	0.7
55.48783	0.6
59.01255	4.1
61.23534	0.6
61.98699	0.9
65.00187	2.2
68.88874	0.6
71.01274	3.6
72.99177	1.0
77.06616	0.6
81.14445	0.6
83.01244	1.6
87.00748	1.1
89.02316	0.9
93.03354	1.8
95.01252	2.1
96.95877	4.8
99.00733	1.4
101.02338	1.5
107.01248	2.6
108.02030	1.7
109.02818	1.2
109.99972	3.7
111.00789	3.6
113.02316	1.5
117.03361	0.7
121.02876	1.7
123.00774	2.9
124.01569	1.9
125.02305	2.0
132.02046	0.9
133.02869	0.9
135.00746	0.9
136.44656	0.6
136.98697	1.2
137.02295	1.8
137.99449	1.4
139.00255	4.0
143.04913	1.1
145.02818	1.0
148.01559	1.3
149.02417	0.9
151.00284	10.7
152.01039	3.8
153.01828	0.9
155.04846	1.0
155.62741	0.7
163.00275	2.9
164.01050	0.8
165.99031	4.6
166.99742	3.4
171.04425	3.1
173.02278	1.1
173.05978	1.0
175.03932	0.9
178.99800	5.9
181.01346	1.3
182.03601	0.7
183.04446	2.2
185.02267	0.7
185.06015	1.1
187.03941	3.2
193.01469	1.0
193.98515	0.8
198.03177	1.8
199.04005	3.1
199.17039	0.6
200.04497	1.2
201.05504	1.8
201.12807	0.6
208.00124	0.8
209.00772	1.9
211.03876	3.1
215.03539	3.1
216.04120	1.2
226.02664	3.0
227.03499	9.3
228.03990	2.2
229.05058	3.3
239.03415	2.1
243.02986	16.2
244.03627	2.6
245.04437	1.7
254.02098	3.0
255.02974	38.5
256.03391	4.2
257.04660	3.9
271.02475	47.1
272.03149	13.3
273.03943	2.7
282.01675	1.9
283.02493	13.5
284.03003	2.2
285.03989	2.8
299.01953	2.4
300.02725	59.5
301.03497	47.6
301.06473	1.0
302.03827	3.4
343.04666	0.6
447.09442	0.8
489.12619	1.7
591.13568	2.2
609.14569	100.0
610.14899	15.1
610.24066	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.146
Annotation	Cyanin
Peak:m/z	Relative Intensity
59.01248	1.0
61.92818	0.3
61.98699	0.7
63.02280	0.4
63.71059	0.4
69.41076	0.4
71.53239	0.6
73.19807	0.3
89.02305	0.6
96.17493	0.4
98.24557	0.4
101.02337	0.6
104.04902	0.4
105.57339	0.4
107.01268	0.9
111.00755	1.3
117.03366	0.5
136.05122	0.4
151.00291	2.6
155.04962	0.4
159.04407	0.7
167.04916	0.5
183.04463	2.4
211.03958	2.3
213.01762	0.4
227.03496	3.0
255.02966	46.4
256.03317	4.3
271.02493	1.1
283.02469	100.0
284.03009	16.9
285.04013	10.8
286.04367	0.8
300.02747	1.0
301.03760	0.5
327.05060	0.8
446.08539	8.1
447.09219	5.4
448.09842	0.5
549.25531	0.7
609.14587	82.5
610.14868	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	609.2188
Annotation	Unknow
Peak:m/z	Relative Intensity
53.36271	1.5
56.17106	1.5
57.82989	1.7
58.38290	1.6
59.01254	100.0
59.68612	1.4
61.98707	3.3
71.01243	7.0
71.53223	1.9
71.53660	1.7
73.02783	1.8
85.02821	4.1
89.02302	2.8
96.95889	6.0
101.02314	5.5
111.00747	7.4
113.02324	2.9
117.55427	1.5
125.02309	1.8
150.03166	2.8
153.17964	1.8
161.04401	1.8
165.05481	8.7
179.05574	1.9
179.07018	1.9
195.06572	5.4
195.08340	1.6
210.08754	1.8
220.65686	1.7
225.57011	1.6
227.03380	2.8
241.05215	2.1
255.02979	5.5
256.03568	1.6
261.11279	4.4
271.02533	2.8
284.03302	3.2
285.04022	21.7
286.04474	2.4
300.02744	5.1
301.03354	2.5
315.05194	2.1
324.71429	1.7
339.08652	4.1
341.22198	1.6
342.11093	2.7
343.17740	2.4
354.11426	2.0
357.13547	11.3
361.16705	6.0
361.18268	5.0
369.13443	9.8
403.19400	2.4
609.14520	13.4
609.29480	2.4
610.14526	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	609.2402
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01760	1.1
57.03313	1.7
58.00463	1.2
59.01252	70.4
61.98697	1.7
62.45009	1.0
69.03326	1.3
69.60309	5.3
71.01250	29.8
72.99178	3.2
73.02816	8.3
83.01273	5.0
83.04880	1.0
85.02821	15.1
87.00750	2.6
89.02316	12.9
95.01268	3.5
99.00774	3.3
101.02323	19.8
111.00753	1.5
113.02325	10.4
119.03401	4.6
122.03575	0.9
138.25603	0.9
142.38136	0.9
143.03404	1.1
151.00258	1.1
151.81964	1.0
161.04469	2.3
181.12242	1.6
199.13338	7.9
255.03053	1.8
271.02408	2.6
300.02710	3.2
301.03604	1.0
324.06046	1.0
337.78860	1.0
343.17578	8.7
344.18384	1.3
361.18668	56.0
362.18958	5.9
369.13675	1.1
369.18793	1.3
387.20233	3.6
398.30890	1.1
403.19705	100.0
404.20050	11.5
429.21265	44.0
430.21744	4.5
466.72504	1.0
565.28119	1.7
609.14435	3.4
609.27167	12.6
610.15326	1.0
610.27710	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.2583
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	2.1
61.98689	3.3
63.96099	1.0
71.01257	5.5
71.52771	0.8
73.02812	1.8
78.98457	4.7
79.95608	17.0
80.96390	56.5
85.02824	2.9
87.00758	2.5
87.87967	0.8
90.41785	0.7
94.97963	13.8
96.95863	1.3
97.02847	1.1
99.00787	1.5
101.02293	2.3
106.97961	2.3
122.97479	4.3
125.02335	3.0
127.03878	0.9
133.15802	0.8
134.97455	3.9
136.99039	0.9
148.99042	4.2
152.98503	5.8
164.98520	7.5
182.99596	2.1
206.99638	2.5
225.00708	16.7
243.01709	2.3
271.30777	0.8
299.04376	3.2
301.03189	0.8
318.30786	0.8
323.88556	0.8
461.88483	0.7
481.17719	1.7
511.18167	1.4
609.25854	100.0
610.26080	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	609.3493
Annotation	Unknow
Peak:m/z	Relative Intensity
53.16363	4.4
59.01249	80.8
60.44504	4.0
61.98702	15.4
71.01247	43.5
72.97302	4.4
73.02824	12.0
74.02327	4.7
75.00741	9.6
81.19407	4.3
83.01230	6.7
85.02817	19.2
89.02332	14.7
94.22580	4.5
96.95915	4.8
99.00759	7.8
101.02296	23.5
111.94511	4.7
113.02346	15.2
116.92745	26.2
117.01813	7.8
117.92728	5.0
125.02382	6.3
132.51450	5.2
161.04466	7.2
241.31070	4.4
296.26398	4.7
300.02802	5.4
361.29550	8.1
459.30582	4.6
467.56635	4.5
505.33786	100.0
506.33807	8.5
523.34760	14.9
609.30304	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	609.3489
Annotation	Unknow
Peak:m/z	Relative Intensity
50.85649	1.8
55.12424	2.3
57.03323	3.7
59.01250	100.0
65.19894	2.5
69.03307	2.2
69.25639	6.4
69.26051	13.8
71.01254	30.5
73.02818	6.3
79.10017	1.9
83.01271	3.3
85.02834	16.2
87.00774	2.7
87.04407	3.4
89.02314	8.9
89.86900	2.3
95.01264	5.3
97.02796	2.5
98.19911	7.0
98.63796	2.5
99.00752	3.4
101.02320	13.0
107.17529	2.1
113.02341	22.2
119.03371	3.2
169.26527	2.4
201.14819	2.5
245.47588	2.1
318.63132	2.3
361.29492	11.2
388.01065	2.7
505.33841	90.1
506.34253	11.2
523.34949	19.5
524.35272	2.8
565.35791	5.9
620.04742	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	609.3496
Annotation	Unknow
Peak:m/z	Relative Intensity
53.08060	2.8
55.01766	4.3
56.99308	3.0
57.03302	3.4
59.01252	100.0
61.46724	2.7
61.98708	24.7
62.04535	2.6
63.51455	2.7
71.01251	39.8
71.53668	4.0
72.99183	3.5
73.02807	9.8
73.78625	3.3
75.00738	3.3
83.01257	6.2
85.02833	18.4
87.00766	4.7
89.02306	12.8
90.83212	3.5
95.01247	6.7
99.00741	4.3
101.02326	22.4
113.02354	20.1
146.56039	3.0
161.04495	5.6
169.95158	2.9
174.43521	2.9
199.13371	5.0
343.17798	6.4
361.18774	19.5
361.29623	9.1
505.33939	47.4
506.33914	7.4
523.23743	7.4
523.34888	11.4
524.35168	4.0
529.35388	3.6
535.46967	3.2
549.29102	7.2
565.25006	85.3
565.33484	3.3
566.25311	13.4
609.31128	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.3497
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01258	100.0
61.98713	33.7
71.01262	49.2
71.53771	5.6
73.02824	15.0
84.27422	5.4
85.02821	10.2
87.00739	5.9
89.02332	20.1
93.27132	4.9
95.01271	8.7
99.00754	7.9
101.02340	29.6
113.02322	17.2
121.02867	6.7
150.03134	6.4
161.04478	8.7
187.51515	5.1
234.54254	5.7
244.97755	5.2
271.02689	5.6
311.62103	5.8
505.33759	66.4
506.34140	13.0
523.34369	10.1
549.29193	22.3
565.34039	6.8
609.15497	7.2
609.32233	9.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.349
Annotation	Unknow
Peak:m/z	Relative Intensity
52.67103	3.5
57.03306	3.7
59.01251	100.0
61.98688	8.3
63.55433	2.7
69.08662	3.4
69.62050	2.9
69.81831	13.9
71.01253	38.9
71.04870	3.2
72.99174	4.9
73.02819	9.2
75.00769	3.1
83.01247	4.8
85.02824	17.4
87.00748	4.7
89.02317	10.6
95.01254	3.8
96.95937	3.8
98.20282	7.2
99.00760	5.5
101.02323	24.4
113.02328	18.5
119.03357	3.5
123.39862	3.2
125.02356	4.0
137.67587	3.1
143.03400	4.7
161.04414	6.6
173.50250	3.1
208.11819	2.8
218.66779	2.9
302.41776	2.7
361.29819	7.4
383.00415	3.7
397.75327	3.3
447.25888	4.5
473.27261	3.6
505.33792	91.1
506.34433	14.0
523.34808	8.6
529.03351	3.4
535.76794	4.4
537.77924	3.3
591.30396	4.1
609.31354	54.3
610.31293	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	609.4136
Annotation	Unknow
Peak:m/z	Relative Intensity
56.88404	4.6
59.31552	4.9
61.98697	5.6
63.59711	4.5
70.27747	6.7
70.28110	14.4
80.68725	4.5
88.81109	4.6
95.04906	18.8
116.48948	5.1
119.18271	4.8
121.10112	17.1
171.10187	49.0
172.10402	4.7
268.04654	4.4
271.02563	6.2
275.20151	62.9
278.11343	29.6
293.21277	100.0
294.21658	11.5
315.19434	48.6
359.18481	9.0
449.24704	5.2
509.81689	4.7
609.14899	8.5
609.41510	58.2
610.41663	11.7
633.78864	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	611.1983
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01255	100.0
61.98713	25.5
66.52406	3.9
69.03307	4.5
71.01260	94.8
72.99188	9.1
73.02823	14.1
75.00767	4.5
81.03326	4.8
83.01236	4.5
85.02847	23.7
87.00768	10.0
88.98704	7.3
89.02325	77.7
93.03342	81.9
96.95885	4.3
97.02840	10.1
98.19827	15.4
98.20551	12.7
101.02334	60.3
113.02344	37.1
119.03393	37.2
121.02869	49.2
125.02341	43.4
126.91018	4.4
131.03365	6.5
133.04991	5.2
137.02350	84.8
143.03436	8.5
149.04456	4.0
161.04456	15.7
179.03355	5.2
179.05534	26.3
197.05956	8.2
221.06578	27.0
227.07069	43.7
245.06441	4.4
263.07666	6.3
281.06711	4.6
295.67844	4.2
323.09927	43.9
350.85941	4.2
354.95816	4.2
443.12064	33.5
611.32751	48.7
612.33160	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	611.2557
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82777	3.1
59.01254	57.5
69.65824	16.3
71.01255	35.8
73.02837	3.1
82.32005	2.8
85.02814	7.7
86.00915	3.1
89.02306	24.2
97.69952	3.2
98.20579	3.0
99.04373	15.9
101.02323	11.3
113.02329	12.1
115.73241	2.7
119.03380	8.5
135.04370	3.0
143.73511	3.1
168.24532	2.7
170.54770	3.5
179.05527	3.4
189.12830	4.6
207.13869	31.3
214.91127	3.1
251.12874	83.7
252.13205	8.0
431.19238	100.0
432.19547	10.0
495.52008	3.7
611.16187	6.7
611.25500	80.8
612.26117	11.3
618.60461	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	612.3176
Annotation	Chasmaconitine
Peak:m/z	Relative Intensity
70.66985	0.9
70.67300	0.6
73.97317	0.5
77.84983	0.5
82.07430	0.4
107.11608	0.5
111.53709	0.5
121.02842	100.0
122.03175	3.8
123.47104	0.5
144.11185	0.6
151.03705	0.6
180.05762	1.8
181.06516	8.1
198.17708	0.5
225.05516	7.3
278.99619	0.5
313.07159	16.5
314.07477	1.7
357.06180	8.6
358.06326	1.1
416.44250	0.7
612.31720	47.5
613.32080	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	613.2293
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01242	2.8
61.98692	2.5
67.01776	1.4
69.09219	0.8
71.01247	2.0
73.02821	1.0
75.00758	0.8
86.91962	0.7
87.00748	0.7
87.24020	0.7
88.98685	1.0
89.02285	1.3
90.96089	0.8
96.95909	1.2
98.20300	4.3
101.02297	1.5
104.51337	0.6
109.02827	1.7
111.83192	0.7
113.02332	1.1
114.69140	0.7
117.95533	0.6
129.47417	0.6
135.04321	0.7
136.01587	1.6
137.02351	19.5
142.69603	0.7
150.03073	0.8
150.37242	0.7
151.03917	2.1
160.01569	0.9
163.03868	0.8
164.01048	2.3
165.01849	100.0
166.02191	4.5
177.05492	1.9
177.72528	0.6
177.81689	0.7
179.03416	23.1
180.04201	58.5
181.04613	3.2
194.05789	4.6
195.02959	3.3
195.06561	77.3
196.06866	4.8
210.05280	13.5
213.11942	0.7
221.51929	0.7
224.06708	0.7
225.07643	65.7
226.07951	3.9
240.07924	0.8
268.07507	1.2
280.07352	0.8
283.09912	0.9
284.06619	0.7
296.06815	1.1
297.11380	1.2
308.07047	1.2
308.10703	0.8
309.07758	1.8
312.06448	1.4
323.09164	2.3
324.06503	0.8
324.09967	1.7
325.10849	1.2
326.11594	2.7
327.08618	4.7
338.11569	1.0
339.08807	7.8
339.12408	1.4
342.11035	4.3
343.11346	1.6
354.11105	2.9
357.13422	19.7
358.13757	1.9
369.13431	20.7
370.13651	3.5
452.17886	1.4
491.17734	0.9
517.19330	1.0
535.19690	6.7
536.20294	1.4
550.18799	0.9
565.20764	36.9
566.21490	7.4
613.23340	2.6
613.34833	1.3
614.23743	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	615.2462
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	25.3
61.98698	3.7
71.01221	3.0
71.53153	3.7
75.00732	5.1
81.30757	2.5
89.02309	3.4
96.95881	4.4
99.05493	4.5
121.05171	3.3
122.05997	12.2
128.03447	7.2
131.28325	2.9
134.05974	3.6
143.04495	9.9
160.06293	10.5
173.47420	2.8
213.10240	32.0
226.11009	3.3
239.11884	7.2
241.13419	17.5
251.11905	2.5
267.14978	7.8
272.09009	4.7
285.12454	100.0
286.12802	7.5
306.07440	16.1
349.20682	2.8
358.15759	2.9
359.15652	2.6
553.24426	16.0
571.25739	47.9
572.25745	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	617.4063
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03302	4.7
58.85316	2.7
59.01263	5.4
61.98703	3.7
63.20839	3.0
69.27191	25.1
76.48997	2.7
78.95760	18.3
81.63244	2.6
97.06474	6.8
125.09631	7.3
135.04475	4.3
135.08014	5.2
137.09615	3.6
141.05376	5.1
153.09099	10.1
163.11139	6.6
165.12735	6.5
166.58293	3.1
171.10225	20.0
185.11752	6.8
191.14333	8.2
207.10294	2.9
209.11761	7.1
211.13446	3.3
238.12331	3.4
245.19081	18.7
247.20691	4.3
289.18134	76.6
290.18335	5.9
290.87091	3.5
291.19730	31.5
292.20175	3.5
307.19150	90.4
308.19464	9.2
309.20740	100.0
310.20966	8.7
325.20251	33.5
326.20596	4.5
581.38910	7.0
617.30597	3.8
617.40820	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	618.2931
Annotation	Unknow
Peak:m/z	Relative Intensity
54.18536	1.7
59.01233	6.3
64.19688	1.9
66.03349	4.2
68.04927	3.4
69.41395	8.5
69.41809	5.0
82.02850	21.8
93.03329	2.3
98.01094	10.7
98.20092	7.4
100.33372	2.0
107.04939	2.4
108.04447	5.3
109.03970	4.7
110.02361	2.5
111.03131	5.9
111.05513	2.4
112.03944	2.4
116.04966	3.2
118.06511	2.4
119.04930	2.4
120.04410	5.1
121.02847	2.4
125.03363	2.2
127.05037	16.5
128.03403	7.4
129.10220	14.8
132.04457	4.3
133.05229	18.4
134.06027	18.4
135.04391	4.4
137.03430	3.6
139.04939	3.2
139.08638	3.8
146.05986	8.4
155.08163	100.0
155.09442	4.8
156.08456	3.8
160.03958	7.7
162.05502	7.0
169.69685	1.9
177.02959	3.2
179.08145	19.1
188.07082	2.3
189.06563	3.0
205.05989	2.6
206.12939	2.4
207.87177	2.1
214.65715	2.3
222.12341	2.8
223.10858	6.6
224.14050	3.9
240.13542	2.6
241.09698	2.1
242.11823	5.0
245.09277	8.7
257.09189	3.0
259.14536	5.2
264.10275	54.9
265.10641	5.0
274.12155	9.8
274.14926	2.7
276.17157	10.8
281.12930	13.1
282.11234	11.0
300.13525	2.3
302.14993	3.7
317.15967	2.1
335.17010	3.5
376.16641	7.5
392.16226	17.6
394.21414	34.4
395.21585	5.4
405.63831	2.2
410.16986	4.6
420.19144	13.0
438.20514	3.8
482.23950	25.8
483.23880	3.0
489.24878	4.9
507.25891	3.3
517.24176	5.4
524.25116	5.6
535.25525	3.3
575.30908	3.2
579.39954	2.2
582.27307	4.4
600.28229	85.2
601.28564	14.5
618.29193	26.4
619.29871	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	618.2931
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02841	0.6
59.01250	3.1
61.98695	1.5
66.03358	3.9
67.26994	0.4
68.04932	3.1
69.59981	0.4
70.82219	0.5
70.82525	0.5
71.01251	1.1
71.02379	0.5
82.01591	0.9
82.02856	18.5
83.01237	0.4
89.02325	0.4
93.03338	6.0
93.04445	0.3
94.02855	1.2
96.04428	1.1
96.95876	1.1
97.00310	1.5
97.03949	0.5
98.01096	10.1
99.01904	0.7
101.02313	0.7
107.02377	0.5
107.04916	0.6
108.02074	0.5
108.04432	5.5
108.08046	0.4
109.02852	0.6
109.03971	3.8
109.04640	0.6
110.02349	1.7
111.01900	0.6
111.03144	4.2
111.05531	2.7
112.03946	2.9
112.07532	0.4
116.04953	3.2
117.03338	0.9
118.06520	0.9
119.04896	0.7
120.04436	8.1
121.02848	3.4
121.03624	0.6
122.02389	0.6
123.05520	0.6
125.03473	1.2
127.05023	16.4
127.08691	0.4
128.03427	10.1
128.05336	0.5
129.10234	9.4
130.08617	0.6
131.03644	1.9
131.04851	0.4
132.04469	4.3
133.05231	26.5
134.06024	28.1
135.04404	0.9
135.06351	1.1
137.03458	4.2
139.05025	3.5
139.08658	3.1
140.07089	1.4
144.04443	0.5
145.02841	0.4
146.02400	0.8
146.06026	2.2
148.03928	0.9
151.05000	1.4
152.07054	0.9
153.06642	0.5
155.08165	100.0
156.08539	3.1
158.06021	0.6
160.03952	11.9
161.04312	1.1
161.07086	1.5
162.05525	1.0
163.12308	0.6
164.07042	1.0
165.05367	0.9
169.06078	0.5
170.06035	1.4
172.03938	1.2
173.04694	0.8
174.05463	2.2
177.03009	3.4
177.06599	0.6
179.08180	15.8
179.11754	1.1
180.08661	0.5
180.10225	1.9
181.13359	0.6
186.05490	0.8
188.07156	3.2
189.06609	5.7
189.10313	0.4
193.09612	0.6
195.08095	0.8
195.11301	0.6
197.12968	0.6
200.53288	0.4
203.06807	0.6
204.07655	1.7
205.06105	2.9
205.09828	0.6
206.12938	1.5
207.11330	4.1
208.08861	0.7
209.12854	1.0
214.08627	0.8
216.05330	0.6
219.08102	0.8
221.09628	1.9
222.08893	2.7
222.12357	3.3
223.07449	0.6
223.10823	6.3
224.13980	3.5
229.09805	2.6
231.14984	0.6
234.12444	1.3
236.10742	0.7
237.09218	1.5
240.13397	0.9
241.09825	2.9
241.11845	0.8
242.11913	4.5
245.09293	13.1
246.09702	1.0
251.12823	0.8
257.09335	1.2
259.10742	0.5
259.14536	4.8
260.14862	0.5
264.10278	70.4
265.10623	6.7
274.15640	2.2
275.10349	1.7
281.12943	13.9
282.13416	0.8
292.16718	0.6
300.13562	1.5
307.10873	1.0
316.12943	1.2
317.16168	1.2
318.14484	1.2
318.18118	1.4
335.17368	3.8
336.15591	0.5
338.18610	0.6
342.18127	2.6
344.16107	0.9
354.18387	0.6
358.17624	3.8
359.17627	0.8
372.19385	0.8
376.16650	8.9
377.17038	1.1
388.18726	1.6
392.16132	20.1
393.16486	2.4
394.21329	39.8
395.21774	4.4
410.17010	0.9
420.19257	17.3
421.19669	2.0
438.20627	0.6
439.23682	0.6
441.21021	0.4
446.89581	0.4
472.22324	2.6
473.22556	0.4
489.25076	5.0
490.25290	1.1
505.24741	1.5
506.24594	0.6
516.23682	3.2
517.24524	5.9
518.25159	0.9
524.25177	5.3
525.25391	0.9
534.24921	0.9
535.25916	0.8
556.29279	1.4
575.30658	1.7
582.27222	5.9
583.27399	0.6
600.28253	98.8
601.28601	21.3
618.29297	16.0
619.29657	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	618.293
Annotation	Unknow
Peak:m/z	Relative Intensity
59.00952	1.6
59.01246	25.8
61.29254	1.2
61.98686	4.7
66.03355	1.8
68.04913	3.2
71.01247	4.7
71.02365	2.5
71.20640	2.4
73.02815	1.9
82.02850	14.3
84.27385	1.3
85.02802	2.6
89.02298	1.9
93.11598	1.3
98.01107	5.0
101.02303	1.7
107.04880	2.9
108.02042	3.4
108.04414	3.3
109.03967	3.2
110.02306	1.5
111.01871	1.6
111.03134	2.6
111.05506	3.6
112.03909	2.7
113.02315	1.8
116.04928	3.2
120.04424	2.1
121.02870	3.3
123.04430	6.5
127.05022	15.4
128.03429	5.0
129.10237	14.3
134.03619	5.3
135.04425	44.9
136.04846	1.3
137.03535	3.2
139.05055	1.6
139.08630	2.4
140.07007	1.4
146.06018	15.3
151.06291	5.7
152.07092	7.4
155.08171	53.3
155.09451	2.6
161.04501	1.5
173.07092	2.9
177.03040	2.2
179.08176	11.1
189.06659	6.6
195.07607	1.6
204.07709	1.6
206.12772	1.6
207.11299	3.5
216.82159	1.3
222.08795	3.2
222.12393	2.3
223.10739	2.2
224.13960	2.6
234.12535	2.8
241.13318	3.6
242.11813	3.9
247.10872	1.6
259.14420	3.4
263.10349	12.0
266.11914	3.1
276.17065	2.2
282.11374	11.6
299.14035	5.3
302.14981	2.3
376.18741	2.0
394.17392	7.7
396.22885	2.0
410.17157	18.8
411.17374	2.5
412.22400	25.4
413.22714	4.4
422.20929	1.8
438.20313	16.4
439.20673	2.2
482.23999	3.1
499.29279	3.2
507.25861	9.3
517.30328	1.8
523.25708	3.5
534.24780	4.6
535.25763	10.1
536.25659	1.7
574.30182	3.3
600.28467	12.1
618.29303	100.0
619.29541	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	619.256
Annotation	Methyl pheophorbide b
Peak:m/z	Relative Intensity
61.10464	2.6
69.39909	20.5
72.23529	2.8
84.21947	2.6
98.19770	3.2
126.30412	3.0
157.05495	2.7
236.60571	3.0
299.97653	2.8
387.87631	3.4
401.13791	3.6
416.16360	12.3
417.16946	3.8
459.18234	100.0
460.18686	18.0
473.19971	13.2
474.20380	7.5
503.17297	4.4
518.19562	49.2
519.19666	12.1
532.20886	7.2
533.21936	99.0
534.22394	21.3
587.23053	6.7
619.25629	75.8
620.26013	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	619.3338
Annotation	Unknow
Peak:m/z	Relative Intensity
55.35601	1.5
57.97026	1.7
59.01030	1.4
59.01257	15.3
69.48882	11.2
71.01260	4.1
80.84313	1.6
89.02325	4.8
98.20603	3.6
101.02335	4.8
108.13680	1.7
110.59108	1.7
113.02319	2.5
115.36492	1.9
118.76466	1.6
125.09608	3.9
148.36873	1.7
152.58694	1.6
161.04472	2.4
163.11241	3.0
197.11821	2.1
239.12756	1.9
253.09247	23.2
261.90341	1.7
291.19635	5.5
308.20035	1.7
323.22305	100.0
324.22617	11.6
506.75195	1.6
587.86310	1.7
614.55383	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.1821
Annotation	Pectolinarin
Peak:m/z	Relative Intensity
54.66660	0.3
55.01753	0.5
57.03305	0.6
58.00471	0.4
59.01251	15.3
59.57267	0.3
60.99163	0.4
61.98703	3.4
65.00192	0.3
69.03293	1.3
71.01250	9.2
71.04842	0.4
71.53783	0.5
72.99170	0.9
73.02821	2.3
75.00741	0.4
76.42931	0.3
78.95774	0.8
83.01247	1.4
83.20332	0.3
85.02823	2.4
87.00742	1.9
88.98672	2.9
89.02320	7.2
95.01250	0.7
96.95881	0.9
97.02826	1.0
99.00729	0.7
99.04336	0.3
101.02320	7.0
113.02322	2.9
115.03887	0.3
117.03300	2.7
119.03381	1.9
125.02347	1.5
131.03319	0.4
135.00764	1.1
136.98697	0.4
138.46736	0.3
143.03381	1.2
149.04460	0.3
149.66426	0.3
155.04861	0.4
159.04419	0.3
160.01590	0.4
161.04431	1.9
163.00259	5.9
164.98187	1.2
165.98970	0.3
167.10675	1.2
173.05971	0.7
179.05489	1.4
179.14287	0.8
183.04445	1.1
185.02277	0.5
193.05005	0.7
195.13887	2.2
205.12273	2.1
211.03961	1.7
221.06488	0.5
223.13339	20.9
224.13661	1.2
227.03413	2.5
235.08278	1.9
239.03641	0.4
255.00235	0.6
255.02953	11.0
256.03281	0.6
269.04544	0.8
283.02469	59.0
284.02823	4.2
287.07874	0.5
297.04153	1.4
298.04816	61.0
299.05130	5.1
305.08737	0.4
313.07172	100.0
314.07523	7.9
397.13504	10.6
398.14008	0.9
399.23898	0.7
415.14536	5.7
453.73154	0.3
499.28400	0.3
501.30432	0.4
517.30048	0.8
522.78912	0.3
561.29053	3.5
577.32275	4.7
578.32355	0.5
621.28357	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.2189
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01770	1.8
57.02168	1.6
57.03335	2.8
59.01254	55.4
61.98696	1.6
62.90024	1.4
71.01259	25.9
71.10924	2.4
73.02828	5.5
83.01271	2.8
83.92188	1.4
85.02816	9.0
87.00775	2.6
89.02300	11.5
95.01243	2.2
99.00743	3.0
101.02322	13.5
109.02834	2.3
113.02348	11.2
119.03377	4.9
123.00788	4.6
124.01528	1.8
125.02348	3.3
137.02330	8.6
143.03349	1.8
149.02380	2.0
149.50789	1.7
151.00270	22.5
152.04590	2.9
159.02979	2.2
161.04477	4.2
166.02628	56.1
167.03215	4.7
175.03873	2.3
177.01868	4.1
178.39624	1.9
181.04985	71.2
182.05351	3.6
192.04189	1.8
205.08510	1.9
387.10831	11.7
388.11160	1.9
399.23737	3.1
402.13245	6.4
417.15530	100.0
417.24847	4.9
418.15863	11.6
517.30286	2.5
561.29211	27.2
562.29272	2.3
577.32397	14.9
579.30243	21.5
580.30518	3.5
621.31201	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	621.2188
Annotation	Unknow
Peak:m/z	Relative Intensity
53.07996	1.0
53.52979	1.1
58.78529	0.9
59.01247	4.9
63.14905	1.3
69.17906	5.1
69.18333	5.4
71.01263	1.7
85.02814	2.4
95.01286	1.3
96.95858	2.1
98.20055	5.3
101.02305	1.7
109.02836	3.2
113.02390	1.1
117.65843	1.1
123.00769	3.0
137.02353	11.3
139.03891	1.6
151.00273	21.1
152.01082	1.9
152.04677	1.4
166.02626	63.0
167.03137	5.9
175.03944	1.3
177.01816	3.1
179.90662	1.2
181.04987	87.3
182.05299	3.8
191.03343	1.4
192.04283	1.1
207.06558	1.2
273.12634	1.8
335.12537	4.9
359.11264	1.7
364.76605	1.1
371.14963	1.3
372.65497	1.2
387.10870	14.9
388.11340	2.0
402.13428	7.3
417.15546	100.0
418.15854	16.8
470.54291	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.2184
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01253	10.8
61.98699	1.6
68.18739	1.4
68.74068	1.3
69.52453	2.6
69.52864	5.1
71.01248	5.5
72.99178	1.5
73.02777	1.4
75.00771	1.3
85.02833	2.7
89.02322	4.8
96.95905	1.1
101.02329	3.7
109.02855	2.2
119.74309	1.3
122.59385	1.2
123.00819	1.7
125.02322	2.3
135.49495	1.2
137.02330	8.3
149.02390	1.7
149.04445	4.5
149.51874	1.2
151.00272	18.8
151.03941	1.5
152.01027	2.0
152.04774	1.8
163.03795	1.3
166.02614	51.8
167.03200	2.8
175.03882	1.6
177.01880	1.6
181.04979	66.0
182.05275	2.4
190.06293	1.4
193.05063	1.5
193.90269	1.2
215.56671	1.3
223.79782	1.3
273.12408	1.2
335.12524	3.6
387.10809	13.2
388.11145	2.1
402.13116	5.3
403.13324	1.5
417.15494	100.0
418.15845	15.8
476.09833	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.2768
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01750	1.0
56.62743	0.9
57.03321	2.0
58.00460	1.9
59.01251	52.4
60.01585	1.0
61.98704	5.5
69.03312	4.9
71.01254	29.7
71.53922	0.9
72.01632	0.8
72.99170	2.4
73.02822	5.9
78.95775	1.5
83.01256	3.3
83.04916	1.2
85.02816	8.3
87.00762	5.1
88.98685	6.0
89.02320	25.8
90.02672	0.8
93.03332	1.0
95.01263	1.9
96.95895	1.6
97.02827	3.0
98.19907	0.8
99.00749	2.2
101.02317	23.5
109.02837	0.8
109.06528	0.7
113.02333	10.3
113.90186	0.8
117.03365	3.2
119.03375	8.7
125.02356	5.5
125.09647	0.7
131.03386	1.8
135.00822	1.4
137.09705	0.9
142.57306	0.7
143.03401	4.8
149.04449	1.6
149.09671	0.8
161.04449	5.3
163.00273	4.1
164.98215	1.1
167.10663	4.1
177.12801	0.9
179.05513	5.1
179.10713	1.3
179.14272	4.3
183.04387	1.8
195.13817	10.6
205.12279	9.9
217.07079	1.0
221.06621	1.5
223.13344	88.3
224.13690	7.1
227.03468	2.8
235.08174	5.8
239.03372	1.0
253.09264	1.2
255.02997	10.3
256.03333	1.3
263.07632	1.7
283.02475	61.0
284.02808	6.4
297.04099	1.5
298.04816	53.3
299.05161	5.6
305.08731	1.7
313.07169	100.0
313.85349	0.7
314.07489	10.4
397.13501	53.1
398.13885	5.9
399.23889	2.1
415.14590	27.8
416.14789	2.7
501.30667	1.0
517.30267	1.2
561.29144	9.7
562.29187	1.8
577.32233	8.5
578.32379	1.4
621.28284	5.4
622.27838	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.313
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05392	1.1
55.01746	2.4
57.03313	3.1
58.00451	2.3
59.01252	100.0
60.01590	1.6
61.98693	4.8
69.03328	2.3
70.29915	3.8
71.01254	57.2
72.99177	2.7
73.02820	14.4
75.00750	1.9
78.95773	1.8
83.01258	7.1
85.02823	28.4
87.00751	5.9
87.04380	1.6
88.98697	1.3
89.01823	1.8
89.02319	23.6
95.01276	7.0
97.02831	2.6
99.00748	4.8
101.01705	2.1
101.02326	31.7
111.00747	1.9
113.02337	28.8
119.03396	10.2
125.02321	2.9
137.02338	2.2
143.03378	5.2
149.04446	1.3
151.00261	4.8
159.02974	1.9
160.38280	1.0
161.04488	8.3
166.02629	11.3
179.05554	2.2
181.04988	13.0
385.36606	1.2
387.11102	2.2
399.23856	7.8
402.13043	1.9
417.15579	20.5
417.24594	8.6
418.15836	2.3
457.27899	1.4
473.30447	1.3
517.30060	7.1
518.30273	1.8
535.31378	2.2
561.29138	65.7
562.29639	11.8
577.32251	33.6
578.32495	6.3
579.30151	51.2
580.30469	7.9
621.31726	8.1
622.31708	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.3128
Annotation	Unknow
Peak:m/z	Relative Intensity
54.61255	1.7
55.01755	3.2
57.03315	4.7
59.01251	100.0
60.01578	2.0
61.98695	7.5
69.03329	1.9
69.45437	7.7
71.01257	58.9
71.04877	1.9
72.99183	4.7
73.02811	13.5
83.01263	7.4
85.02826	23.8
87.00760	6.0
89.02324	25.4
95.01262	5.6
96.95885	3.0
99.00743	5.4
101.01688	3.1
101.02325	38.8
111.00743	3.4
113.02331	30.6
119.03382	11.3
122.71383	1.7
125.02324	4.5
126.07478	1.6
129.01764	1.9
131.03297	1.6
137.26767	1.6
143.03383	7.8
149.04475	2.3
159.02795	2.1
161.04460	8.1
162.28685	1.7
179.05565	3.2
181.04944	3.2
193.04837	2.9
290.46933	2.0
345.62787	1.6
399.24115	8.4
417.15524	4.3
417.24963	10.3
418.25354	2.1
473.30496	2.4
499.29391	2.1
517.31097	9.1
535.30859	3.3
561.29187	48.2
562.29315	7.2
577.32257	33.1
578.32251	4.8
579.30219	50.7
580.30676	8.2
621.31006	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	621.313
Annotation	Unknow
Peak:m/z	Relative Intensity
52.05198	2.0
55.10388	2.1
57.03318	4.5
58.00443	2.0
59.01250	100.0
61.98701	10.6
69.60056	7.5
69.60459	3.9
71.01253	33.0
72.99182	4.4
73.02818	12.3
75.00739	2.6
78.56450	2.0
78.95823	2.7
83.01257	8.8
85.02826	13.1
87.00768	3.5
89.02309	13.6
95.01264	4.0
96.95893	40.7
96.96836	3.0
98.02338	2.7
101.02336	23.1
113.02323	16.9
119.03382	5.9
121.02854	3.2
125.02356	4.9
132.02101	2.2
134.03638	5.5
143.03421	2.8
160.01622	9.9
161.04434	4.6
175.03923	13.7
193.05011	12.6
193.50688	2.1
235.06081	8.6
265.07156	5.4
295.08127	7.9
305.50842	2.3
397.11319	6.0
450.70944	2.2
473.31024	4.0
486.80286	2.5
491.32101	2.9
499.28873	3.7
517.30212	12.8
535.30841	4.7
559.30811	2.9
561.29108	7.8
577.32245	77.0
578.32611	14.7
579.29950	3.2
621.30731	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	623.1406
Annotation	Kaempferol 3-(6''-ferulylglucoside)
Peak:m/z	Relative Intensity
59.01255	36.5
59.18652	1.7
60.01562	2.6
61.98426	2.9
61.98705	39.9
64.95613	1.7
66.44393	1.8
68.61319	1.6
70.77097	1.7
71.01262	17.8
71.35282	1.7
71.53456	1.7
71.53850	2.5
72.99134	2.4
73.02814	4.1
83.01235	3.5
85.02823	6.6
86.03091	1.9
86.04572	1.7
87.00729	3.6
87.09078	1.7
89.02300	9.8
91.01770	1.9
94.21657	1.8
95.01307	1.8
95.08356	1.8
96.95882	1.8
101.02319	10.8
107.01274	4.1
107.59870	1.8
109.02850	1.9
113.02308	7.7
119.03400	2.3
131.03447	2.3
132.02048	2.8
135.04376	3.2
143.04912	2.4
145.02879	2.5
151.00316	4.6
160.01575	6.4
161.02383	8.7
161.04436	2.4
163.00227	2.6
173.41000	2.2
175.03880	6.6
176.14815	1.8
178.52170	1.8
179.03438	3.6
179.05489	3.4
185.06012	2.4
187.03914	5.0
199.03922	4.7
211.03966	3.9
221.04524	2.6
223.13356	3.7
224.13652	3.7
227.03438	53.4
228.03891	4.0
229.04999	9.4
243.02951	4.9
255.02962	93.7
256.03522	15.1
257.04568	9.5
271.02405	9.5
283.02310	5.2
284.03250	94.5
285.04016	100.0
286.04346	8.0
298.04715	2.9
299.01917	11.8
299.05527	13.2
300.02643	6.5
314.04214	5.7
315.04929	16.0
323.07693	18.3
337.09344	5.0
399.14053	2.4
424.76450	2.3
447.09348	2.1
532.63855	2.6
538.82764	2.0
579.34064	16.6
580.34088	2.5
623.14111	97.9
623.30670	7.9
624.14545	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	623.1614
Annotation	Unknow
Peak:m/z	Relative Intensity
52.77428	1.1
62.65868	1.0
65.00195	1.4
83.13924	1.0
98.20656	1.9
107.01253	2.2
117.84603	1.0
151.00281	6.2
162.96667	1.2
168.21300	1.2
171.04433	1.4
183.04445	2.3
199.03940	7.5
201.01860	1.8
215.03455	3.9
227.03455	9.4
229.72296	1.2
230.47780	1.0
242.02214	5.5
243.02962	34.8
244.03505	5.1
254.02243	1.3
255.02937	22.2
256.03296	1.7
257.04416	2.0
259.06094	2.0
270.01648	5.7
271.02475	59.8
272.02948	7.5
285.04086	4.4
286.04575	1.8
299.01947	39.6
300.02670	29.8
301.03198	3.9
314.04288	23.4
315.05093	100.0
316.05426	8.0
623.16168	96.1
624.16620	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	623.162
Annotation	isorhamnetin-3-O-rutinoside
Peak:m/z	Relative Intensity
59.01255	5.1
69.59688	4.4
71.01255	1.8
73.02847	0.7
79.12231	1.0
89.02326	1.0
98.20518	1.4
101.02360	1.1
107.01250	1.3
111.00758	1.2
113.02316	1.2
137.09517	1.0
151.00275	4.4
155.04921	0.9
159.04373	1.1
168.65457	0.8
171.04414	1.2
175.03879	1.2
178.99773	2.7
183.04478	1.0
199.03990	6.9
201.01863	1.3
203.03461	1.5
205.08606	1.0
208.07513	0.8
215.03406	3.6
227.03493	6.5
229.01479	1.1
242.02188	6.9
243.02960	34.3
244.03278	2.6
255.02937	11.6
257.04532	6.2
270.01727	7.5
271.02475	43.6
272.02945	3.8
285.04080	13.6
286.04712	5.8
299.01968	71.1
300.02570	15.3
301.03107	1.0
313.03540	3.5
314.04315	100.0
315.04974	29.2
316.05411	2.1
389.16098	7.3
390.16757	1.3
459.09354	1.8
477.10410	0.9
519.31744	5.1
537.32849	1.7
623.16168	90.2
624.16479	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	623.162
Annotation	isorhamnetin-3-O-rutinoside
Peak:m/z	Relative Intensity
50.99887	0.6
55.15009	0.6
63.02264	1.1
71.52679	1.2
77.38406	0.6
83.01276	0.8
92.60610	0.7
107.01295	1.3
135.04379	0.9
136.90233	0.7
143.04924	1.0
145.02861	1.1
151.00304	6.3
153.19862	0.7
171.04416	1.7
175.00252	0.7
178.99765	4.1
179.03397	1.2
183.04483	2.3
187.04025	1.6
193.86745	0.7
199.03966	9.8
201.01892	1.9
203.03474	1.6
211.04002	0.9
212.58076	0.8
215.03419	5.0
219.68274	0.6
226.02583	1.2
227.03444	7.5
242.02194	8.1
243.02972	38.9
244.03423	2.5
255.02971	10.3
257.04578	5.5
258.04947	0.8
270.01746	8.0
271.02499	45.5
272.02750	4.2
285.04074	15.7
286.04672	4.7
287.02145	0.7
287.05524	1.7
293.32224	0.7
297.00583	1.2
299.01981	80.4
300.02579	14.3
313.03595	2.8
314.04343	100.0
315.04996	27.3
316.05365	1.3
459.09424	2.5
503.11636	0.7
556.73230	0.7
623.16217	91.8
624.16541	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	623.3283
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03313	4.4
58.00449	1.4
59.01249	55.4
61.98682	2.1
67.53057	1.3
67.53447	1.4
69.02245	1.3
71.01252	33.6
71.04878	7.3
72.99171	2.0
73.02812	7.1
83.01247	3.9
85.02823	16.0
87.00751	2.3
89.02316	15.1
95.01262	3.4
99.00745	2.0
101.02325	20.0
113.02328	18.3
115.07510	1.4
119.03394	5.6
125.02335	2.1
128.20528	1.4
129.09082	3.7
132.81448	1.3
137.09616	8.0
142.05655	1.2
143.03365	3.7
147.38287	1.3
151.00223	1.6
157.12247	3.5
159.02872	2.4
161.04485	6.7
198.09488	1.2
199.03889	2.1
215.03285	1.5
227.03407	2.6
243.02989	13.6
244.03363	1.5
255.02863	7.2
257.04718	1.5
262.82211	1.4
271.02490	18.8
272.03043	4.0
281.03549	1.4
285.04077	3.8
299.01959	19.2
300.02707	20.7
301.02982	2.3
301.16418	3.2
314.04285	20.0
315.05127	52.6
316.05389	5.9
319.17496	6.8
345.19104	3.7
357.26282	1.9
374.75082	1.4
375.27481	2.1
431.26276	3.5
501.29926	1.5
519.31732	100.0
520.32080	13.1
537.32825	25.9
538.33160	4.9
579.33740	11.8
580.33997	1.9
623.16162	43.3
624.16467	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	623.3285
Annotation	Unknow
Peak:m/z	Relative Intensity
53.20261	1.4
57.03310	5.8
58.00469	1.6
58.80232	1.4
59.01251	66.2
59.83831	1.6
61.98708	2.1
62.72048	1.7
69.44006	4.8
69.44434	5.9
71.01257	28.2
71.04898	4.6
72.99153	3.4
73.02818	9.8
75.00771	2.8
75.33226	1.8
83.01254	5.8
85.02836	14.6
87.00739	4.2
89.02326	13.4
95.01237	2.9
99.00762	4.3
101.02322	14.7
107.01329	1.6
113.02322	18.4
119.03383	5.8
122.16367	1.8
129.09039	1.9
137.09616	6.1
143.03387	3.0
151.00240	2.7
157.12158	1.8
157.78729	1.7
159.02896	2.6
161.04456	4.3
162.03215	1.8
170.50418	1.9
199.03984	2.4
227.03438	3.1
243.02925	12.6
255.02992	5.3
270.01697	2.0
271.02496	15.9
272.03055	1.9
285.03854	3.9
299.01962	18.4
300.02667	14.7
301.16571	2.8
314.04242	13.7
315.05045	36.1
316.05377	5.8
319.17313	2.6
357.26331	3.3
363.20361	1.7
375.27524	3.7
431.26395	3.7
443.22855	5.0
466.35336	1.9
501.30048	2.2
503.32080	5.0
519.31744	100.0
520.31854	15.3
537.32690	19.4
538.32959	5.2
579.25726	3.8
579.33826	6.8
623.16083	30.6
623.27264	2.2
624.16632	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	623.3288
Annotation	Unknow
Peak:m/z	Relative Intensity
55.29447	2.1
57.03319	6.4
59.01255	70.5
63.93808	1.9
69.41268	8.1
69.41676	4.2
71.01259	37.8
71.67563	2.1
72.99219	2.1
73.02816	6.4
83.01268	5.0
83.04876	2.0
85.02822	19.7
87.00743	4.7
89.02334	16.2
95.01273	4.7
97.02782	1.9
98.20392	5.4
98.60642	1.9
99.00755	2.8
101.02342	21.6
111.00748	4.7
113.02335	21.5
119.03393	9.0
137.09627	6.2
139.51459	2.0
143.10699	4.3
161.04465	8.3
166.02522	2.9
178.02782	2.4
181.04906	3.2
201.14772	2.4
212.12195	2.0
222.69438	2.0
226.55847	2.0
237.06148	1.9
243.02971	2.4
273.20444	2.7
281.21939	2.0
299.01871	3.8
314.04456	3.0
345.19440	2.3
357.26532	6.9
363.20151	3.5
375.27695	4.6
389.16077	4.6
419.16266	6.6
425.20718	2.1
431.26608	2.3
449.27448	6.6
519.31757	100.0
520.31897	17.1
537.32825	27.8
538.33276	4.7
563.21021	10.3
579.33746	9.7
580.34857	2.9
581.23065	3.7
623.15228	4.6
623.30975	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	624.2872
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52525	0.4
52.44921	0.5
59.01239	3.2
61.98701	100.0
63.45026	0.4
70.96422	1.3
71.01247	1.6
75.00753	0.5
89.02331	0.7
95.44893	0.6
97.02901	0.6
98.20078	0.8
101.02300	0.7
116.29900	0.5
125.71770	0.5
135.55756	0.5
164.53583	0.5
201.52621	0.5
253.55998	0.5
256.47964	0.6
269.17322	0.5
285.03787	0.6
286.04214	0.8
366.50787	0.5
526.62219	0.6
624.16089	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.1414
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	43.2
61.98701	8.5
71.01254	16.4
71.53547	5.7
77.79958	3.9
82.39100	3.3
85.02805	7.0
87.00776	5.1
89.02305	7.9
96.00781	5.2
96.95899	5.5
101.02353	8.4
105.03339	8.4
109.99966	5.4
111.00751	9.6
113.02307	10.5
113.03416	6.1
124.01566	6.0
125.02374	5.5
133.02846	56.3
134.03618	13.1
135.04407	11.5
137.02336	14.2
138.03036	5.2
139.00262	10.1
139.03914	6.5
149.05933	5.1
151.00256	14.7
151.03970	5.6
152.01076	5.0
163.00227	3.8
163.04028	3.6
165.98965	10.0
174.30026	3.6
175.03864	6.2
177.01843	53.8
178.99789	9.9
179.03441	23.5
180.04137	4.0
181.04945	9.1
193.05089	6.9
195.06599	19.2
199.03871	3.3
207.06575	4.6
209.08075	4.0
211.06021	5.0
227.03487	4.5
243.02902	6.1
255.02853	6.8
270.01663	5.2
271.02484	43.8
272.03061	6.8
287.01953	15.8
299.01877	39.6
300.02588	7.3
301.03467	11.4
315.01205	4.3
316.02191	50.7
317.02957	26.3
361.12912	5.9
391.13846	11.1
403.13873	19.0
406.16360	9.9
421.18692	100.0
422.18903	11.1
521.33191	17.5
577.33112	3.6
625.14075	81.7
626.14386	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	625.1409
Annotation	Unknow
Peak:m/z	Relative Intensity
52.33666	1.0
59.01238	3.3
63.02256	1.6
65.00182	2.6
69.24824	7.9
71.01260	2.4
76.41267	0.9
77.50496	1.0
85.02821	1.4
89.02309	3.6
97.73849	1.0
101.02312	2.4
107.01254	4.7
109.02770	1.0
111.00766	3.2
121.02820	3.8
149.04457	1.1
150.99127	1.9
151.00269	25.0
163.03963	1.6
163.44162	1.0
169.01326	2.5
178.99783	12.6
193.01253	1.1
198.86140	1.1
212.04863	1.0
227.03427	2.8
243.03001	7.3
245.04419	1.7
254.02237	1.4
255.03001	15.5
271.02469	35.8
272.02859	4.7
273.03955	2.2
299.01892	6.8
300.02728	71.8
301.03494	94.5
302.03870	7.6
348.41852	1.2
463.08804	100.0
464.09122	12.1
525.01703	1.1
599.69458	1.2
625.13977	8.4
625.26740	2.4
626.14661	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.3442
Annotation	Unknow
Peak:m/z	Relative Intensity
51.15300	2.2
55.01784	2.0
55.64155	2.1
57.03324	3.0
59.01251	100.0
61.57799	1.9
61.98699	9.3
71.01254	50.4
71.45245	4.8
72.99201	2.7
73.02827	12.4
75.00745	2.5
77.58589	2.0
80.23597	2.2
83.01261	6.3
85.02820	18.4
87.00756	3.9
89.02319	17.2
95.01279	5.3
99.00768	3.6
101.02337	29.6
108.19156	2.0
111.00749	4.7
113.02350	27.3
115.70277	2.0
119.03377	5.4
120.08083	4.8
125.02351	2.8
132.13359	1.9
143.03381	3.3
144.06381	2.2
161.04449	5.9
195.06592	4.6
202.72960	2.3
295.27231	2.3
299.40775	2.0
301.15579	9.7
361.29605	6.0
377.29041	4.1
445.24469	14.2
503.31778	2.5
505.33823	73.2
506.34201	11.1
519.83417	2.9
521.33307	94.8
522.33893	15.5
523.34998	18.2
524.35315	2.5
539.34393	7.4
565.35791	9.3
566.36664	2.7
581.34943	5.0
625.30884	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	625.3465
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03323	3.7
59.01252	75.8
61.98700	5.5
70.43303	9.8
71.01250	36.4
72.99181	5.5
73.02826	10.1
75.00747	14.5
85.02817	16.1
87.00756	5.5
88.98717	4.7
89.02318	14.4
95.01263	5.1
98.20149	9.0
101.02317	23.6
107.01217	4.5
111.00802	7.0
113.02361	23.1
113.14281	4.1
119.03397	5.2
139.00336	4.2
151.00275	14.2
161.04463	7.5
174.27788	4.1
178.99658	5.0
243.02849	10.8
244.03326	10.0
255.03001	7.0
271.02469	17.3
272.02844	13.8
273.02728	4.3
299.01941	17.1
300.02393	18.4
301.03406	22.3
314.04254	19.1
315.04724	22.3
316.05017	19.3
359.27802	7.6
377.28918	6.5
521.33295	100.0
522.34076	19.9
539.34619	19.3
581.34918	12.2
582.35571	6.1
625.16309	51.6
625.33612	6.0
626.16315	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	625.344
Annotation	Unknow
Peak:m/z	Relative Intensity
56.60551	1.1
57.03315	2.0
58.00466	1.5
59.01253	52.9
61.98697	4.3
69.03319	1.6
69.18668	12.0
71.00895	2.0
71.01256	27.4
72.99172	2.7
73.02831	9.2
73.59988	1.2
75.00728	2.2
75.19423	1.1
83.01267	1.5
85.02831	12.6
87.00739	2.9
88.98686	3.5
89.02307	11.0
93.60342	1.2
94.25173	1.2
95.01264	3.6
97.02838	1.7
98.19714	2.8
99.00750	2.3
101.02317	16.0
101.05827	1.3
111.00742	1.5
113.02344	17.3
119.03368	4.1
121.10114	1.6
143.03360	2.7
149.02315	6.5
150.03143	18.4
155.03450	1.2
159.02838	1.5
161.04474	3.5
165.05475	14.1
173.49515	1.2
194.79794	1.3
195.06578	9.3
201.14886	4.6
255.02940	2.4
265.90350	1.2
283.02591	1.9
296.85339	1.5
315.25446	2.2
324.09909	1.5
339.08521	2.8
339.12396	2.9
359.28052	3.7
369.13443	4.0
377.29221	6.1
521.33289	100.0
522.33722	16.6
539.34265	10.9
577.20715	3.4
581.35089	2.0
585.68927	1.5
625.30286	4.7
628.31274	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.3444
Annotation	Unknow
Peak:m/z	Relative Intensity
52.99303	1.7
57.03312	6.1
59.01256	51.2
60.80925	2.4
61.98698	7.6
68.48177	1.8
69.34727	4.8
69.35132	13.7
71.01253	29.0
72.99202	3.0
73.02816	7.9
83.01254	3.6
83.36984	2.1
85.02816	9.5
87.00748	5.7
88.98672	3.4
89.02315	12.0
95.01290	3.9
96.95893	3.1
98.19802	4.4
99.00719	2.2
101.02314	17.7
111.00733	1.9
113.02324	20.8
115.07507	2.9
119.03391	4.9
135.07983	2.4
161.02303	3.3
161.04434	5.2
184.02045	2.5
196.13171	2.1
201.14922	2.6
266.10925	2.1
300.02585	2.5
325.12766	2.9
359.27670	2.2
377.29123	5.8
461.23798	2.8
505.33246	3.0
521.33313	100.0
522.33734	15.8
537.14459	4.8
539.34509	23.1
581.35364	13.0
625.14484	3.9
625.30725	11.5
626.31750	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	625.3879
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01237	3.5
61.98713	4.2
69.95901	6.2
78.39101	1.5
79.36023	1.5
80.74179	1.4
95.04914	1.7
121.10116	18.2
164.36949	1.5
171.10201	44.2
172.10530	3.0
185.53752	1.7
185.55484	1.8
190.01648	1.7
231.21072	3.7
275.17081	2.2
275.20175	76.1
276.20560	7.5
293.21259	100.0
294.21542	9.5
335.11243	1.7
375.44388	2.1
430.98389	2.0
463.09335	2.0
503.26920	2.9
607.36987	12.2
608.37189	2.6
625.38574	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	627.2291
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	95.8
61.98692	5.1
71.01244	16.7
71.53355	6.0
72.99167	5.6
75.00728	4.9
85.02850	8.9
88.85966	4.5
89.02306	13.9
99.04396	5.9
101.02325	12.1
111.08014	5.3
113.02307	7.0
119.03407	5.7
122.03622	7.3
135.48323	4.4
143.64203	4.3
149.02347	38.9
150.03143	63.5
161.02354	8.5
164.04716	9.6
165.05473	79.3
179.03413	13.0
179.85889	4.3
194.05775	16.6
195.04805	7.9
195.06531	100.0
205.12325	5.3
209.08151	35.5
223.13261	9.8
267.12463	21.4
342.10977	5.8
357.13342	45.7
358.13687	8.4
405.15381	26.2
447.18729	31.4
473.96075	4.8
515.09485	5.0
627.15649	6.3
627.24231	24.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	630.2697
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02845	5.2
59.01245	9.7
61.98702	5.3
70.66727	5.4
71.01253	3.1
73.02805	2.2
74.02330	10.2
80.23582	1.8
85.02866	2.7
86.02352	4.6
87.05511	2.7
96.95889	3.6
98.70082	2.1
99.05533	7.9
127.05075	1.8
128.03418	28.1
129.34123	2.3
139.29762	1.8
143.04523	35.8
146.04506	2.0
153.06522	1.8
160.00638	8.1
161.81560	1.7
167.04437	2.4
177.03329	4.1
178.23952	2.0
179.04611	10.2
210.08774	4.4
242.07697	2.1
254.07809	10.0
255.66992	2.5
272.08850	20.3
288.06580	7.1
291.11392	3.7
292.11719	4.1
295.17813	1.8
306.07648	100.0
307.07721	5.7
471.18149	2.0
598.23993	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	631.2776
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68716	4.0
51.82504	5.1
59.01261	19.8
61.07682	3.6
61.98700	9.8
62.23059	3.8
71.01249	7.3
71.36961	6.9
76.25970	3.7
96.95884	22.5
98.90189	4.9
99.05501	4.6
101.02315	6.2
107.03640	5.9
110.05993	5.0
113.02338	5.6
120.08080	50.6
122.06002	86.9
128.03435	5.0
143.04504	9.4
144.04431	5.3
160.03905	5.8
174.05563	8.7
178.36412	4.2
203.05789	8.5
236.09465	7.9
237.10181	5.8
239.11736	4.4
249.10211	4.6
250.11168	5.5
251.11913	36.2
252.12450	6.2
263.08276	8.3
263.11890	7.0
264.09015	6.4
265.13412	11.8
276.09061	7.8
277.09857	32.1
278.10474	12.2
279.11313	5.7
281.09442	6.5
291.11383	43.3
292.12152	58.7
293.12927	40.6
294.13388	4.8
296.11386	4.2
306.07483	22.5
324.11221	9.2
335.10461	12.1
336.11038	13.2
337.11615	9.2
360.17136	8.2
372.17136	15.5
373.17859	5.1
390.18436	7.1
414.18240	15.5
418.17499	6.5
432.18994	11.4
436.19141	4.5
459.18005	7.6
476.18103	41.9
477.18893	26.2
490.19931	11.6
508.20828	90.5
509.21307	18.3
537.25098	20.9
555.26263	22.4
556.25751	5.5
569.24011	7.2
581.24261	26.6
599.25085	100.0
600.25592	21.2
613.26593	11.8
627.33838	5.1
631.27429	52.3
632.28247	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	633.3133
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	57.0
61.98692	11.5
71.01256	50.5
83.17081	7.4
85.02803	9.6
89.02317	34.0
94.42369	7.5
101.02342	21.5
102.49746	7.2
113.02321	22.7
119.03356	13.7
125.02318	19.6
130.47162	7.0
146.78430	7.1
207.19661	8.8
291.19608	39.5
309.20734	100.0
310.21039	10.3
315.19830	13.5
328.83179	7.7
333.20691	15.2
381.22519	8.8
384.49124	8.5
411.23862	10.7
453.24982	10.6
471.26108	18.2
528.58112	8.1
633.31201	95.9
634.31671	21.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.1566
Annotation	Laricitrin 3-rutinoside
Peak:m/z	Relative Intensity
51.06764	3.0
59.01253	41.1
61.98693	8.8
69.63000	6.6
69.63412	10.1
70.01612	2.8
71.01263	22.7
73.02811	4.2
75.00756	4.6
75.61069	3.0
83.01272	4.4
85.02836	8.2
89.02306	12.6
95.01274	4.6
98.20573	4.6
101.02353	14.5
104.69580	2.9
109.36949	2.8
111.00716	4.8
113.02328	13.8
116.92746	8.3
125.02290	4.1
131.01297	3.1
136.98752	3.2
137.39937	3.1
139.00186	4.0
149.04303	2.9
151.00270	4.5
152.01016	3.5
161.04433	3.7
165.98930	5.7
178.99841	4.1
199.03810	3.5
215.03572	4.5
241.01372	5.0
242.02159	6.4
243.02921	7.7
243.06480	2.9
259.02612	5.5
270.01669	6.2
271.02463	12.1
272.03354	3.9
285.04056	7.8
286.01175	5.0
287.01923	20.4
287.05197	5.5
298.01215	4.1
299.01944	12.3
300.02444	7.0
301.03638	9.3
302.04218	5.6
313.03519	9.6
315.01398	10.7
315.05069	14.2
316.02078	8.6
316.84955	3.1
319.61493	3.5
330.03683	22.1
331.04596	27.0
431.36002	3.1
535.30188	9.7
553.28357	4.5
595.32990	12.5
639.15607	100.0
639.32263	14.8
640.16156	13.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.1564
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	1.6
83.70386	0.8
100.38330	0.7
122.66066	0.7
160.38658	0.8
176.15672	0.8
214.02701	1.2
241.01575	0.8
242.02148	11.0
245.00856	2.6
270.01663	13.9
271.02127	2.9
285.04034	10.0
287.01971	1.3
298.01172	4.8
299.01978	2.8
300.02634	0.9
313.03522	100.0
314.04050	12.6
315.05096	7.3
330.03964	1.3
331.04489	1.2
476.09442	4.8
477.10370	5.4
519.11456	1.2
639.15613	86.7
640.15936	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	639.1572
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01236	2.3
69.55954	4.2
89.02317	0.9
95.66827	0.7
98.20478	1.0
112.54813	0.8
129.23720	0.9
151.00288	1.8
153.27028	0.8
192.00424	0.8
214.02606	1.9
241.01427	1.3
242.02182	16.4
245.00844	4.5
270.01718	22.6
271.02274	3.7
285.04071	11.0
285.80386	0.8
286.04471	1.2
287.01968	1.3
298.01227	7.9
299.01923	4.5
300.02747	0.9
302.03998	0.9
313.03571	100.0
314.04031	13.0
315.05045	6.0
348.10858	0.9
413.00989	0.9
476.09631	3.6
477.10226	4.7
478.10690	1.0
535.31519	1.5
639.15698	71.4
640.15961	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	640.2778
Annotation	Unknow
Peak:m/z	Relative Intensity
53.17558	1.4
59.01233	5.1
59.57349	1.2
61.98691	4.2
70.04607	1.3
71.01267	2.8
71.02375	7.0
72.58714	1.2
95.02395	2.0
97.00343	1.6
98.01081	2.2
98.20399	6.4
98.63250	1.4
99.01867	3.1
111.01924	1.4
111.05547	8.0
113.07100	6.5
114.01826	4.4
114.05458	1.6
116.04959	7.1
118.06506	4.8
119.04917	3.8
125.88697	1.4
138.05527	1.3
146.04897	1.9
146.06021	33.4
147.06302	2.6
149.05840	4.8
161.07115	3.0
162.05499	2.7
167.08167	13.8
173.07034	2.1
187.05061	22.1
188.10683	1.7
189.06599	24.6
190.06862	1.5
191.08130	5.2
210.08739	1.7
211.07202	32.1
215.11833	6.2
218.06859	3.8
228.09674	2.0
240.11392	37.2
241.09656	2.5
241.11780	2.5
258.12418	2.8
259.52567	1.5
266.11853	50.7
267.12094	4.6
281.12881	1.8
283.14529	8.5
309.12402	4.2
368.16739	2.1
411.17145	11.2
413.18518	6.1
428.19623	6.8
454.17648	3.1
455.18430	5.3
456.19348	2.5
459.27719	1.5
507.24002	40.2
508.24188	5.2
525.25037	100.0
526.25354	18.1
534.23407	5.6
623.24438	2.2
640.27594	46.6
641.27844	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	641.2447
Annotation	Unknow
Peak:m/z	Relative Intensity
50.74980	0.8
59.01249	100.0
59.83706	1.0
60.01586	1.6
61.98704	8.7
71.01250	10.0
71.53550	1.5
72.99194	1.3
73.02825	2.7
75.00744	3.0
79.03221	0.8
83.01279	1.2
83.53411	0.9
85.02827	3.4
89.02312	4.0
96.95917	1.2
99.00772	1.6
101.02318	6.2
111.00798	1.2
113.02355	4.2
119.03379	0.9
135.68372	0.9
143.03328	0.9
159.02885	1.0
159.74315	0.8
161.02319	4.7
161.04451	4.2
163.00252	1.1
173.08202	0.9
176.04692	5.8
179.03456	10.1
179.05055	1.2
179.05544	1.0
191.07030	3.4
194.05792	15.2
209.08128	76.8
210.08418	5.9
292.48035	0.8
328.89465	0.8
331.83762	0.9
419.17184	6.7
442.94434	0.9
537.32776	3.8
641.16193	0.9
641.33765	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	641.3391
Annotation	Unknow
Peak:m/z	Relative Intensity
55.55343	1.3
57.03320	2.9
59.01256	29.1
61.98697	5.6
65.63091	1.3
69.86298	2.3
69.86692	3.8
71.01256	23.9
73.02817	5.3
75.00763	3.9
80.50903	1.5
83.01265	3.7
85.02823	11.7
87.00738	2.1
89.02314	10.6
95.01313	2.3
99.00776	2.8
101.02331	13.2
111.00760	2.3
113.02341	8.9
119.03384	3.6
143.03349	1.7
150.02971	1.2
154.56371	1.4
161.04478	1.5
171.13824	1.6
193.05042	2.2
201.14896	2.8
230.92590	1.3
278.49313	1.2
285.12350	1.4
299.01953	2.5
315.01462	2.7
363.20453	1.7
375.27377	3.4
393.28436	3.3
417.21243	1.7
475.29080	1.9
537.32813	100.0
538.33160	18.5
555.33875	3.7
597.34558	2.2
641.16058	7.7
641.35809	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	641.4037
Annotation	Unknow
Peak:m/z	Relative Intensity
59.74265	0.8
61.98707	0.9
69.03328	1.3
71.01247	6.8
71.40190	1.3
73.76940	0.9
75.97925	0.8
97.02816	3.9
125.09586	1.7
125.99212	1.3
141.09084	3.2
162.03998	0.9
165.01579	4.7
181.08389	1.6
183.09895	1.3
193.08403	8.1
209.07861	3.5
221.07895	3.2
222.08682	56.3
223.09457	31.7
224.02916	0.9
224.09836	2.1
227.08893	1.4
254.07637	5.3
261.11053	3.9
262.11804	10.8
263.12314	1.0
291.19760	1.3
294.10587	0.9
303.19498	1.2
309.20712	10.4
313.17889	3.1
331.18912	100.0
332.19284	11.2
375.17886	1.2
470.50702	1.1
532.28772	1.5
533.29559	1.2
551.28656	1.0
641.38489	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.2452
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00457	6.3
59.01251	100.0
61.98692	5.0
67.21687	3.6
69.03307	5.0
70.09361	4.2
71.01250	67.2
72.99174	15.8
73.02782	5.6
75.00754	25.2
78.81813	3.6
83.01251	7.3
85.02811	18.1
87.00748	13.4
89.02313	62.5
99.00773	7.9
99.04417	9.3
101.02316	40.7
107.04893	8.5
109.06457	7.8
113.02342	31.2
118.14099	4.3
119.03399	23.9
125.05981	9.7
127.07569	10.9
141.05472	4.6
176.97034	4.5
177.12781	32.2
179.05550	9.4
188.01396	4.1
195.06631	4.9
207.13850	10.1
209.11656	6.7
221.11739	22.0
225.14949	5.2
234.74698	4.7
239.12894	11.3
241.14487	7.2
251.12827	9.8
268.52631	4.0
269.13889	37.8
283.11905	36.0
346.68561	4.6
352.08530	4.3
431.18658	5.8
449.20065	18.4
463.18344	42.3
464.18454	8.1
643.24487	26.9
644.24945	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	646.2881
Annotation	Unknow
Peak:m/z	Relative Intensity
57.81651	2.1
59.01232	4.1
64.18366	1.9
71.02374	2.8
71.30220	3.0
72.00761	3.5
74.02333	4.2
80.37451	2.1
82.02838	16.3
93.03327	7.8
98.01076	6.7
98.20074	2.6
101.67172	2.0
108.04475	3.3
111.03126	4.7
111.05489	4.4
112.03897	3.6
116.04996	3.3
118.06484	2.7
119.04910	14.3
123.50648	2.1
126.01717	2.1
127.05032	12.1
128.03426	43.2
129.10220	8.0
134.05960	7.3
146.05952	9.2
155.08179	40.1
163.03973	10.4
164.06990	2.3
179.08160	11.7
180.06589	40.7
180.10097	2.8
182.77618	2.0
204.07802	2.9
222.08786	24.8
222.12450	5.6
223.54103	2.3
224.13976	6.5
240.13487	16.0
242.11844	6.9
264.10309	2.6
266.11899	15.0
275.10379	6.2
291.09747	3.1
326.19113	2.2
327.13486	4.3
388.18793	5.0
438.16409	4.5
440.21817	6.3
440.43607	2.4
535.25598	18.4
536.26575	4.8
602.29749	2.6
646.28748	100.0
647.29150	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	649.252
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01256	14.6
59.54133	1.8
61.98715	3.5
71.01246	4.4
71.53502	2.6
72.89383	2.0
73.23489	2.1
74.49420	1.8
85.02830	2.9
96.95883	5.2
101.02347	2.6
108.04463	2.5
120.95900	2.1
122.06006	4.9
124.03883	2.2
136.03978	2.2
138.05508	2.3
144.30330	1.9
147.05554	4.4
150.05647	2.6
183.43658	1.9
201.10332	14.5
213.10263	9.5
229.09843	17.8
229.13380	7.5
239.11839	6.9
243.11366	2.9
245.13019	2.1
247.10880	6.5
255.11403	2.3
257.12970	6.3
259.10846	2.8
265.97345	2.3
273.12589	3.6
275.13968	4.9
283.14471	3.7
289.11990	6.0
301.11957	18.7
311.09155	3.5
319.12982	100.0
320.13330	10.7
323.09018	4.9
345.14651	2.6
575.25012	4.5
587.25134	18.1
588.25037	3.0
605.26154	87.2
606.26538	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	653.1515
Annotation	Unknow
Peak:m/z	Relative Intensity
57.46745	1.9
59.01253	23.6
61.98693	8.8
64.51029	2.3
65.00167	2.9
66.07859	1.9
71.01259	9.9
72.01561	2.3
72.99161	2.8
77.20424	2.2
81.03430	2.4
85.02819	3.9
88.98667	6.0
89.02312	4.8
101.02319	6.5
106.25137	2.2
113.02344	4.0
128.03365	2.8
134.03607	4.1
135.04414	5.4
150.01654	2.9
151.00267	7.8
160.01584	5.7
161.02353	7.3
175.03876	6.1
179.03441	3.7
183.04433	3.5
198.88724	2.8
199.03929	7.3
211.04088	2.4
215.03418	4.8
227.03481	7.7
238.08023	2.9
239.47636	2.3
242.02229	4.9
243.03011	34.4
244.03537	3.4
255.03012	20.2
256.03406	2.7
257.04691	2.9
258.04886	2.3
270.01688	4.4
270.29144	2.1
270.99716	4.2
271.02499	53.9
272.03009	7.1
277.28864	2.1
285.04019	6.4
286.04703	3.3
287.05658	4.4
299.01990	59.4
300.02710	44.5
301.03308	3.2
313.03775	4.2
314.04312	42.2
315.05133	100.0
316.05380	8.6
323.07672	27.0
328.05981	19.3
329.06631	18.2
337.09274	7.1
370.84299	2.7
473.25412	5.4
477.10431	4.2
479.90323	2.5
539.97101	2.7
653.15088	74.0
653.31366	10.3
654.15686	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	653.1511
Annotation	isorhamnetin 3-O-(6"-O-feruloyl)-glucoside
Peak:m/z	Relative Intensity
54.38359	3.8
59.01254	53.8
60.68202	3.5
61.13942	3.9
61.98689	12.7
70.45033	9.3
71.01249	36.0
72.99178	4.3
73.02805	5.7
83.01229	6.0
84.18596	3.7
85.02837	11.8
87.00737	10.5
88.98685	7.6
89.02331	21.4
98.20313	7.9
99.04359	3.8
101.02330	17.7
109.73612	3.6
113.02320	12.3
119.03377	6.8
125.02343	5.1
126.69122	4.4
135.04333	6.3
136.87419	4.0
151.00261	9.1
160.01563	10.7
161.02313	9.6
161.04430	5.5
167.53795	4.0
175.03914	17.1
179.03435	4.9
183.04388	7.2
199.03909	11.2
211.13423	5.5
227.03494	11.7
242.02168	5.0
243.02937	43.6
255.03047	33.6
270.01663	8.6
271.02463	79.8
272.02994	7.0
285.03979	7.5
287.05481	5.6
299.01941	85.6
300.02682	57.6
301.03146	4.4
314.04337	66.4
315.05066	100.0
316.05338	5.9
323.07663	31.2
327.21869	5.8
329.06653	14.1
329.23230	17.4
337.09158	7.5
473.26242	7.8
653.15192	97.7
653.33118	72.2
654.15405	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	653.301
Annotation	Unknow
Peak:m/z	Relative Intensity
62.96268	0.7
70.39721	0.4
70.40105	0.4
78.95776	100.0
81.28662	0.2
94.25040	0.3
97.20567	0.3
101.62587	0.2
102.96223	0.2
124.46729	0.2
149.00006	5.6
179.01053	0.6
183.06729	0.2
196.44832	0.3
205.15941	2.5
214.71390	0.3
285.12646	3.1
286.13199	0.3
297.94537	0.3
355.16776	2.7
380.52585	0.2
385.17892	1.0
417.12247	0.3
447.13437	5.9
448.13504	0.5
653.30103	49.6
654.30444	10.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.3752
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01762	1.0
57.03319	1.7
58.00464	1.4
59.01254	44.8
68.64506	0.5
68.99688	0.8
69.03320	2.1
70.55351	1.7
71.01255	38.7
72.99182	3.6
73.02818	6.6
75.00751	0.9
81.03333	1.7
83.01266	4.6
85.02825	8.4
87.00756	10.2
87.04357	0.6
88.01102	0.6
89.02319	33.6
91.03827	0.7
95.01254	2.5
97.02833	5.4
99.00746	1.8
101.02324	30.7
104.65045	0.5
108.38261	0.5
108.65640	0.5
110.38974	0.5
111.04374	1.0
113.02334	16.5
115.03922	1.0
119.03397	10.8
121.02856	0.9
123.58047	0.5
125.02332	13.0
127.03905	0.6
131.03377	1.3
133.05023	1.0
139.03937	1.2
140.08961	0.5
143.03374	6.3
149.04482	1.5
161.04460	6.8
167.03427	1.1
171.02979	0.6
179.05551	6.7
217.07184	0.7
221.06639	2.8
235.08188	14.7
235.10416	0.9
236.08739	0.8
245.06609	0.8
253.09258	3.3
255.23285	100.0
256.23596	9.8
263.07739	1.2
277.09265	0.8
287.07861	3.4
305.08740	4.2
323.09995	2.0
379.12540	1.0
385.21973	0.5
397.13504	86.8
398.13879	8.8
415.14581	30.5
416.14996	3.3
510.08868	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.3754
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01761	1.2
57.03310	1.4
58.00476	2.0
59.01252	39.6
68.99680	0.8
69.03333	2.1
71.01254	39.7
71.53748	0.4
72.01589	0.5
72.99190	2.4
73.02818	6.4
75.00748	1.2
75.33090	0.4
81.03349	2.1
83.01253	5.5
85.02826	8.7
85.99992	0.5
86.03153	0.4
87.00755	10.0
89.02317	33.9
90.02619	0.6
91.03886	1.1
93.03337	0.6
95.01252	2.9
97.02240	0.7
97.02825	7.6
99.00764	2.3
101.02322	30.9
102.02667	0.8
103.00213	0.6
109.02840	0.8
111.00750	1.0
111.04374	1.2
113.02330	15.9
114.02667	0.5
114.10815	0.3
115.03919	0.7
118.30229	0.3
119.03389	11.5
121.02853	0.7
122.08212	0.4
123.00761	0.5
125.02333	12.7
126.02719	0.5
127.03868	0.4
131.03391	2.3
131.45157	0.4
133.04955	1.0
139.03888	1.4
141.01787	0.8
143.03404	6.2
149.02364	0.4
149.04440	0.9
161.04471	7.5
167.03427	0.6
169.04926	0.5
179.05527	7.5
185.04462	0.8
199.06047	0.7
203.05602	0.5
217.05122	0.3
217.07144	1.6
219.04857	0.6
221.06639	2.1
235.08186	16.1
236.08640	0.5
245.06674	0.8
253.09236	3.4
255.23265	100.0
256.23593	10.9
263.07574	1.9
269.24893	0.6
277.09232	1.2
287.07736	4.0
305.08780	4.4
315.07135	0.4
323.09909	1.9
361.11426	0.7
379.12234	0.7
397.13480	91.4
398.13815	8.6
415.14545	32.4
416.14954	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	654.1674
Annotation	Unknow
Peak:m/z	Relative Intensity
52.04458	0.2
59.01252	2.1
61.98701	100.0
62.98403	0.3
68.69352	0.2
69.32710	2.0
71.01247	1.6
72.99174	0.2
85.02813	0.6
85.42561	0.3
89.02335	0.6
96.95915	0.4
98.01112	0.3
98.20367	1.0
101.02334	0.8
105.42937	0.3
112.95338	0.3
113.02319	0.5
122.09727	0.2
129.10260	0.9
134.53693	0.3
149.64653	0.3
153.06566	0.3
155.08145	2.0
179.05493	0.4
187.05093	1.1
207.11688	0.3
215.11858	0.3
249.16145	0.4
264.10361	0.5
394.21216	1.7
421.20029	0.6
437.85263	0.3
474.26230	0.4
482.24197	0.8
596.95648	0.3
600.28064	0.7
618.29358	1.5
653.33582	0.4
654.33398	2.9
655.33624	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	654.3301
Annotation	Unknow
Peak:m/z	Relative Intensity
50.48738	1.7
55.71627	1.9
59.01246	15.6
61.98693	5.2
71.01261	10.9
71.47427	1.8
71.53571	2.5
72.99171	2.0
82.02873	7.9
82.06528	2.0
83.01266	2.7
83.04895	2.3
85.02843	1.8
89.02323	4.9
89.29913	1.8
93.03339	3.5
98.01125	4.5
101.02319	4.2
107.04956	3.1
112.03973	2.5
112.07569	2.4
113.02390	3.0
116.04966	13.5
118.06530	11.0
119.04945	7.1
120.04491	2.3
125.03455	2.2
127.05046	6.9
127.08727	1.8
128.03456	4.5
129.10237	32.5
129.33458	1.9
130.08699	2.1
133.05247	8.3
134.06007	10.5
135.04472	2.0
139.08693	2.8
153.06610	6.6
155.08174	100.0
160.03941	4.7
162.05527	2.4
179.08217	4.5
180.06531	4.6
187.05070	60.0
188.05392	3.1
189.06631	3.7
215.11853	15.4
231.07669	3.6
245.09291	5.9
249.16086	30.9
257.13031	5.2
259.10815	2.6
259.14566	5.7
264.10324	30.7
265.10651	4.0
275.14117	9.3
280.10907	2.1
281.13116	6.2
307.10812	2.8
353.19879	2.4
378.18350	2.6
379.20367	6.1
392.16275	5.4
394.21393	72.7
395.21713	12.7
420.19128	11.1
421.19998	19.4
422.20770	2.7
473.25812	6.0
475.26938	4.8
491.27039	7.9
548.28986	3.4
600.28296	34.9
601.19653	2.0
601.28259	10.3
618.29401	41.6
619.29840	8.8
636.32446	5.0
637.55518	2.6
654.33252	93.2
655.33417	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	655.1509
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	4.9
59.45036	1.8
63.02276	4.2
65.00196	9.4
68.87862	1.6
69.78723	4.6
69.79118	3.5
70.42677	1.5
71.01250	4.7
83.01252	7.8
85.02843	1.9
95.01275	6.0
98.20312	3.6
99.00742	3.2
107.01263	10.0
108.02070	2.3
109.02879	2.7
111.00781	10.6
123.00765	6.9
123.04382	3.6
124.01558	3.6
125.02356	4.2
132.02104	2.2
133.02802	1.8
135.00732	2.0
136.98683	3.5
137.02254	2.1
139.00261	18.0
145.02873	2.3
147.04427	4.0
148.01602	2.8
149.99486	5.3
151.00276	41.7
152.00999	6.3
153.01773	2.1
154.99780	2.5
158.03702	2.0
159.04428	2.5
161.02356	5.6
162.03021	1.8
163.00284	2.2
163.03908	2.5
164.98215	2.6
165.01831	4.0
165.98988	3.0
166.99722	4.0
168.00536	1.9
169.01321	4.3
171.04446	3.5
174.03125	3.6
175.03917	5.0
177.98970	6.5
178.99785	45.4
180.00214	2.0
185.02388	2.3
186.03009	2.2
187.03891	6.6
189.01826	3.5
191.03439	2.5
193.01347	4.2
194.23721	2.0
198.03174	3.0
199.03847	3.0
202.02605	5.2
203.03401	10.5
204.04158	5.6
206.99300	7.9
209.00885	4.3
213.01855	3.3
214.02664	6.5
215.03421	8.5
217.01396	5.6
227.03474	3.1
229.01480	4.9
229.05025	2.1
230.02089	5.5
231.03014	9.8
232.03630	3.8
241.01422	3.6
242.02219	10.6
243.02924	18.1
244.03651	2.2
245.00900	2.8
246.05339	2.1
247.06094	12.6
255.02948	3.7
257.00946	12.4
257.03497	1.9
257.04547	2.0
258.01660	9.4
259.02487	19.5
260.03040	2.6
260.74576	1.7
261.00320	7.6
269.01016	2.7
270.01614	7.5
271.02457	21.6
272.03012	4.2
273.03973	3.3
274.01169	3.8
275.01913	3.2
275.05566	2.1
285.01120	2.2
285.04037	15.0
286.01157	14.0
286.04395	3.1
287.01978	14.6
297.00345	7.0
298.01172	3.8
299.02029	10.0
300.02710	12.6
301.03516	24.2
302.00815	3.3
302.04202	10.2
303.01459	9.4
303.05072	12.7
313.00198	2.4
313.03561	6.7
314.00659	8.6
314.04257	7.0
315.01505	7.0
315.05017	10.4
316.02182	1.9
317.02893	4.7
318.03677	3.4
319.04398	2.8
328.01941	2.0
329.03024	74.4
330.03442	11.3
331.00818	2.0
331.04535	4.5
332.01501	2.8
345.02545	3.4
346.03226	11.6
347.04071	16.4
348.03989	1.9
505.11050	1.9
543.13660	6.1
555.17249	3.2
556.66919	2.4
609.15131	3.2
611.16394	3.3
623.13208	4.1
627.15771	3.4
637.14087	8.8
655.15173	100.0
656.15430	20.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.1515
Annotation	Ranupenin 3-galactoside-8-glucoside
Peak:m/z	Relative Intensity
51.36833	1.3
57.36549	1.8
59.01245	2.4
65.00188	1.7
65.84932	1.5
71.01260	2.5
71.53049	1.7
89.02303	2.1
93.93334	1.5
95.01249	3.2
107.01273	2.0
109.99985	3.2
111.00773	2.5
121.02802	1.9
123.00736	3.3
123.04394	1.7
136.98694	3.0
137.99500	2.0
139.00258	3.7
151.00294	4.7
152.28575	1.6
163.00270	2.4
163.03944	3.0
164.98132	3.2
165.98965	5.1
166.99861	1.9
178.99712	3.5
186.03185	2.9
193.98495	1.7
198.03111	2.0
202.02715	3.4
203.03433	2.5
214.02647	6.4
215.03488	1.9
218.84567	1.4
230.02098	5.2
242.02173	6.0
243.02892	4.3
245.04659	2.3
245.34538	1.7
254.02141	2.1
257.04446	4.4
258.01697	17.6
259.02521	2.1
269.00903	3.1
270.01700	7.5
271.02481	6.5
273.03964	2.5
284.02960	2.1
285.04022	7.3
286.01181	18.2
286.04718	5.3
287.01920	4.9
299.01990	2.4
301.03522	48.4
301.06943	2.4
302.03986	4.2
303.04935	2.0
313.03537	5.4
314.00720	2.5
314.04077	2.5
315.01495	9.6
316.01978	2.7
329.03036	45.1
330.03696	20.8
331.04529	11.0
405.27017	1.9
449.10876	3.5
475.08636	2.3
492.09195	5.9
493.09885	28.4
494.10394	3.0
655.15112	100.0
656.15631	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	655.1517
Annotation	Ranupenin 3-galactoside-8-glucoside
Peak:m/z	Relative Intensity
54.47037	1.8
59.01232	3.7
64.19585	1.8
69.73331	9.5
71.01238	4.4
86.04568	2.0
89.02298	2.4
98.87470	1.8
101.02307	2.3
111.00708	2.2
114.29462	2.2
122.12762	1.9
123.00727	2.6
135.00691	1.9
139.00275	3.3
148.51671	2.0
151.00240	4.4
163.03918	2.4
165.01791	2.7
165.99014	4.4
178.99835	2.6
180.66486	2.0
201.24908	2.0
214.02573	3.9
215.03421	3.2
230.02158	3.8
242.02124	7.3
258.01743	14.0
259.02060	2.9
270.01758	4.6
271.02441	4.9
285.04004	5.0
286.01141	8.2
286.04517	4.2
287.01816	5.3
287.05237	3.3
301.03558	36.9
313.03436	4.3
315.01434	6.7
329.03018	30.5
330.03729	15.3
331.04492	8.0
449.11197	3.5
475.08893	4.4
492.08841	4.0
493.09842	31.0
494.10516	3.1
631.33325	2.3
655.15131	100.0
656.15540	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	655.3317
Annotation	Unknow
Peak:m/z	Relative Intensity
52.20547	2.1
59.01254	100.0
60.43492	2.2
60.87308	2.1
71.01256	19.7
71.53489	2.2
73.02828	2.3
78.95802	2.4
83.01254	2.9
85.02824	4.7
87.00764	5.7
89.02315	13.8
89.35222	2.1
101.02331	12.0
102.02699	3.6
109.60954	2.8
113.02341	5.8
119.03380	3.9
125.02322	5.1
141.01613	51.7
142.05060	2.2
152.99507	4.0
154.44846	2.0
161.04449	3.1
171.08156	2.3
187.39157	2.2
235.08221	2.9
255.23282	26.5
256.23633	19.4
257.23828	10.1
275.06424	2.7
279.23288	5.2
397.13647	11.3
398.13757	17.1
399.14053	16.1
415.14795	5.0
416.14948	5.3
417.15097	5.2
535.28088	2.5
595.29645	2.5
638.86145	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	655.3318
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01253	100.0
61.98703	4.6
63.46649	3.4
71.53378	5.1
77.45374	3.7
93.91100	3.0
97.02820	4.6
98.05638	3.5
126.14417	3.6
134.38335	3.2
141.01604	62.5
182.32784	3.9
190.23239	3.2
275.06137	3.9
277.21872	4.2
339.00259	4.0
535.27997	4.5
564.82288	3.9
621.35645	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	656.1471
Annotation	Unknow
Peak:m/z	Relative Intensity
52.49797	1.0
59.01247	3.3
61.98704	20.8
63.19368	0.9
65.00196	1.3
69.89746	0.9
71.01264	3.4
73.02824	1.5
74.41883	1.0
75.00761	1.9
75.53909	1.0
93.03356	1.0
101.02299	1.7
107.01278	1.7
111.00781	3.6
115.12205	1.1
119.04918	23.4
120.05255	1.3
132.02159	1.1
134.03616	2.8
143.03409	2.5
151.00264	3.2
154.25594	1.0
159.04434	1.2
163.00227	1.7
163.03929	18.8
164.04236	1.3
165.01863	1.1
175.03946	2.1
187.03908	2.4
193.05046	1.7
199.03966	1.3
211.03946	1.6
213.05545	1.2
215.03378	1.4
227.03438	18.4
228.03770	1.2
229.04987	6.7
239.03389	1.2
243.02946	4.4
253.08681	2.1
255.02963	36.3
256.03519	5.4
257.04620	5.2
269.83337	1.1
271.02487	4.0
284.03259	53.6
285.04013	66.4
286.04449	7.5
299.01895	7.2
300.02408	2.0
314.04211	8.2
315.04797	1.5
327.05099	1.4
372.72781	1.2
392.19504	1.3
399.10025	3.9
399.60016	2.8
419.45993	1.4
449.10831	1.1
459.13095	1.8
562.14648	1.4
577.65509	1.2
593.15076	100.0
594.15381	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	656.1832
Annotation	Unknow
Peak:m/z	Relative Intensity
50.15939	0.2
50.86270	0.2
57.74431	0.3
57.80574	0.3
59.01245	1.8
61.98703	100.0
66.63055	0.3
71.01267	1.0
71.44849	0.4
89.02304	0.9
96.95910	0.7
98.20016	0.3
111.27361	0.3
113.02302	0.4
115.33186	0.3
119.03442	0.3
121.02873	0.4
128.22278	0.3
165.01813	0.4
207.58324	0.3
213.59047	0.3
220.40970	0.3
230.80162	0.4
313.07278	0.6
348.64096	0.3
354.00366	0.3
434.90399	0.3
475.27304	0.9
655.33405	0.4
656.33801	0.5
676.29449	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	657.1886
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01253	2.0
71.52129	1.4
76.39857	1.0
78.52087	1.0
82.19296	0.9
83.97832	1.0
85.02797	1.4
95.01242	1.1
96.95868	1.9
107.42285	1.0
108.02046	44.3
108.05286	1.0
109.02885	12.0
113.02319	1.8
123.04395	1.6
126.13272	1.1
152.01059	39.0
153.01877	15.1
153.05438	1.4
154.02205	1.3
163.75325	1.1
165.01897	1.8
183.80962	1.1
185.44176	1.1
315.07214	100.0
316.07465	8.6
332.25146	1.0
483.70532	1.2
531.96454	1.1
664.47656	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.2573
Annotation	Unknow
Peak:m/z	Relative Intensity
50.59543	1.0
59.01255	11.9
60.66183	1.1
61.98701	2.9
68.43237	0.9
69.03341	1.4
70.44769	1.6
70.45103	2.6
70.62471	1.1
71.01257	8.7
72.93334	1.1
73.02811	3.9
74.12157	1.0
80.04937	1.1
81.03278	1.0
83.01281	1.6
85.02859	5.6
87.00724	1.4
89.02327	1.6
95.01250	2.6
101.02306	4.9
108.02057	50.2
109.02860	24.2
113.02341	2.9
122.05977	2.1
136.03951	2.0
148.03912	4.2
150.05486	1.1
152.01070	47.8
153.01857	16.2
163.03923	2.1
166.05099	1.1
168.06592	2.0
199.13342	2.0
225.10310	2.4
237.10281	1.2
238.11043	6.8
253.13356	7.9
273.12305	1.6
289.38397	1.1
347.78857	1.1
351.18472	1.1
361.18637	12.4
396.65533	1.1
615.24542	29.9
616.24475	7.1
659.25574	100.0
659.35614	4.4
660.25775	18.7
660.36212	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	661.2878
Annotation	Unknow
Peak:m/z	Relative Intensity
54.51809	2.0
59.01255	20.2
60.68240	1.9
61.98701	4.5
66.17695	2.3
69.31728	3.9
69.32139	14.5
71.01266	5.4
73.02798	3.0
83.01231	2.2
88.66011	2.3
89.02325	3.6
94.46320	2.2
96.95904	4.0
98.19855	5.8
101.02341	4.2
107.03634	2.9
110.06025	7.5
113.02325	2.3
120.04453	2.7
122.06013	34.7
127.94907	2.1
134.06023	5.6
135.76265	2.2
136.07549	2.5
160.03822	2.5
160.06352	4.8
174.05528	3.8
180.06657	4.5
188.07115	5.5
203.05856	2.4
213.10252	22.8
215.11960	4.0
225.10257	4.0
227.11856	2.6
237.10301	4.2
239.11859	26.8
240.12317	4.0
241.13426	13.6
249.10194	3.6
251.08295	4.9
251.11845	8.7
253.09676	2.5
264.09045	10.5
265.09790	12.5
267.11401	3.7
277.09665	4.3
279.08231	4.0
279.11365	16.5
280.11929	3.1
281.12860	2.5
283.10812	4.4
285.12405	49.8
286.12717	6.2
290.10510	3.1
291.07956	4.4
291.11334	12.8
292.08603	15.1
292.11417	3.0
293.09326	7.5
293.12955	10.5
306.10330	4.7
307.10873	44.2
308.11560	18.4
311.10349	5.2
340.10608	7.1
343.13223	5.1
348.43567	2.3
350.09097	14.4
351.09818	28.9
352.10193	7.2
354.12329	2.5
356.13968	5.1
365.11478	4.9
370.15521	10.8
372.17120	2.8
398.15109	13.3
403.15186	3.6
407.68170	2.4
412.16629	7.9
413.17480	13.5
430.17856	10.7
448.18756	7.7
457.16409	3.3
474.17145	4.4
491.16226	3.2
492.17755	16.1
493.22879	3.4
506.19373	29.8
507.19379	6.3
511.23743	8.0
520.20868	3.5
535.23431	13.8
538.21960	55.8
539.21875	10.8
553.24609	51.9
554.24683	8.6
579.22595	4.4
585.27161	8.3
597.23566	51.4
598.23981	10.5
611.25067	5.0
629.26147	100.0
630.26361	17.2
643.27368	3.9
661.28650	32.1
662.28607	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	661.3075
Annotation	Unknow
Peak:m/z	Relative Intensity
52.55239	1.1
59.01252	8.3
62.49338	1.4
70.67519	2.6
71.01253	67.2
71.58321	1.2
72.01595	1.3
72.99183	18.9
73.02817	2.1
79.63472	1.2
85.02860	2.2
89.02310	5.9
89.68682	1.2
101.02325	7.9
103.16092	1.1
113.02322	2.8
115.00260	13.5
119.03349	1.6
120.38316	1.2
120.70190	1.3
126.56128	1.2
133.01335	4.7
151.11183	1.7
153.12759	3.2
161.04492	2.4
165.12720	1.6
181.12245	3.1
197.11815	2.7
207.13826	1.9
245.35143	1.2
247.20752	2.4
253.09242	22.1
273.18634	1.5
291.19662	30.0
292.19922	2.9
295.87292	1.3
309.20703	100.0
310.21014	10.7
434.87491	1.5
479.08881	1.3
489.80719	1.2
499.36234	1.3
545.29663	59.2
545.38055	3.0
546.29865	10.1
581.55841	1.2
643.29828	11.1
644.30249	1.6
661.30981	11.0
662.31476	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	661.3076
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01246	9.0
61.98699	0.8
68.04831	0.8
68.05215	0.9
70.65919	1.4
70.66248	1.0
71.01252	91.5
72.01584	1.3
72.98773	1.4
72.99177	25.2
73.02822	1.1
79.26260	0.8
83.01298	0.9
85.02808	1.5
87.00747	1.5
89.02322	5.9
97.06490	1.5
98.20440	1.1
99.00738	0.8
99.28970	0.7
101.02341	6.6
113.02359	3.9
113.09632	1.0
115.00256	38.5
115.07540	0.9
119.03346	1.3
133.01317	26.9
141.09070	1.0
151.11177	1.0
161.04453	2.2
165.12743	2.4
167.14293	1.2
181.12282	2.6
193.12297	1.4
195.13805	1.5
211.13283	2.9
221.15419	2.5
239.12766	0.8
247.20644	4.0
253.09261	20.9
253.11891	1.4
254.09631	1.6
266.69107	0.8
273.18527	2.5
281.21210	1.0
291.19656	38.5
292.19943	2.5
309.20706	100.0
310.21002	9.2
385.87357	0.8
397.66217	0.9
545.29633	65.2
546.30084	12.0
643.19061	1.0
643.29620	15.3
644.29913	2.8
661.30774	22.0
662.31244	4.7
673.27057	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	662.2838
Annotation	Unknow
Peak:m/z	Relative Intensity
50.41837	2.0
51.80070	2.7
56.69812	1.9
56.81488	2.1
58.62900	2.3
59.01253	10.5
61.98693	4.7
66.03362	2.2
71.01244	7.0
72.00784	4.2
73.02814	3.5
74.02331	2.3
82.02866	12.8
89.02318	3.5
91.05409	2.5
93.03333	5.5
95.01240	2.4
96.95930	2.5
98.01104	6.0
98.19831	7.6
98.20548	5.8
99.54671	2.2
101.02314	5.1
107.04934	3.1
108.02071	2.7
108.04433	2.8
109.02846	5.5
111.03163	2.4
111.05503	4.8
112.03954	3.4
116.04937	3.2
119.04922	14.5
121.02820	3.7
122.03613	2.4
122.68753	2.0
123.04433	11.0
127.05032	12.3
128.03438	19.4
129.10210	6.7
134.06010	7.1
135.04431	21.0
139.08698	2.1
146.05998	5.9
150.05513	3.7
152.07057	6.0
155.08192	42.3
162.05589	3.7
163.03883	7.4
178.04956	2.2
179.03397	7.7
179.08195	10.1
180.06595	24.5
186.05534	3.3
195.07628	4.0
196.06152	15.6
204.07864	3.3
214.12387	6.7
220.07310	2.8
222.08817	27.7
222.12363	3.8
224.13918	4.7
240.13536	6.9
242.11848	6.1
258.11371	9.8
266.11902	4.4
272.92816	2.4
275.13983	12.0
282.11319	13.5
318.14822	3.1
325.11905	3.7
454.16336	2.6
456.21368	5.4
466.19958	19.3
481.20920	4.3
483.22049	2.8
535.25751	6.4
551.25171	19.1
552.25232	4.2
618.29498	3.8
644.26892	5.5
662.28259	100.0
663.28497	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	663.2667
Annotation	Unknow
Peak:m/z	Relative Intensity
51.79934	2.7
59.01250	29.5
70.86478	4.4
70.86811	3.6
71.01254	15.0
73.02822	5.9
73.21813	2.4
80.40942	2.9
84.86087	2.7
85.02804	3.3
87.00719	3.6
89.02326	4.4
94.02850	5.4
94.06488	2.8
96.95866	3.9
98.20029	4.2
99.47848	2.8
101.02299	6.9
108.04459	3.4
110.05968	5.4
113.02338	4.3
122.05983	16.2
136.03937	7.1
138.05478	5.1
144.04411	2.9
147.05431	3.4
150.05476	6.5
161.04602	4.1
162.05553	2.9
168.41479	3.0
174.05560	8.0
185.37241	2.8
195.81531	3.1
201.10330	22.4
213.10329	8.0
227.11809	6.5
229.09810	23.7
229.13429	6.8
239.11888	10.2
241.09850	4.1
247.10992	3.5
253.94896	3.4
255.11429	5.4
257.12936	4.7
273.12332	6.4
282.05362	3.3
289.11823	6.9
291.48312	3.2
301.11905	23.9
319.12994	100.0
320.13300	9.0
325.07190	5.5
327.13568	6.6
329.11465	3.1
343.12994	7.3
360.17169	3.5
372.13614	6.9
386.14899	4.5
387.15823	4.4
404.16125	12.1
437.16040	4.0
447.18048	4.5
527.22803	8.8
545.23883	21.7
569.24396	17.4
570.23901	3.7
577.27393	2.9
587.25031	57.5
588.25220	10.7
590.23724	6.4
601.23865	3.1
613.22815	8.7
619.16632	4.3
631.24097	84.0
632.24493	13.6
645.25415	9.3
663.26794	46.3
664.27283	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	663.2669
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	19.9
68.99676	1.1
69.58841	4.5
71.01256	6.4
73.02802	1.5
83.01290	1.5
85.02808	2.5
89.02313	2.8
94.02853	4.4
94.06522	1.5
98.20525	1.8
101.02322	3.0
108.04423	3.4
110.06001	4.2
113.02307	3.2
117.17818	0.9
120.08064	2.4
122.06007	11.7
124.03884	5.0
135.76715	1.0
136.03929	3.7
136.88033	1.0
137.04684	1.3
138.05539	6.1
144.04427	1.4
147.04469	1.0
147.05499	5.5
150.05510	7.3
151.07588	1.5
161.03465	1.4
161.04721	3.0
167.85492	1.0
168.06540	1.5
171.70624	0.9
174.05486	4.7
175.05066	1.9
201.10274	16.7
203.05814	2.6
212.10748	1.2
213.10300	8.2
215.11780	2.7
217.09706	2.2
223.08714	1.2
227.11893	5.5
228.12393	1.3
229.09792	24.6
229.13292	8.3
237.10326	1.7
239.11913	9.0
241.09773	2.0
245.12975	3.0
247.10875	3.3
255.11397	6.1
256.11807	1.4
257.13071	6.2
267.11270	3.1
273.12384	6.3
275.14218	1.6
279.11188	1.3
281.09308	1.5
283.10681	3.5
289.11981	6.4
291.11145	2.1
292.12067	1.4
297.12451	1.6
301.08649	2.3
301.11929	30.4
302.12305	2.5
309.12448	2.1
311.10242	2.0
313.11661	1.5
319.12982	100.0
320.13397	6.2
325.11786	1.3
327.13565	7.0
328.14609	1.5
329.11478	1.2
330.12469	2.4
342.12390	1.4
342.16156	1.9
343.13193	3.8
344.14044	1.5
345.14926	1.5
346.11743	1.3
346.15598	1.8
358.15814	1.7
359.12485	1.0
360.17642	1.5
364.16397	1.1
370.15326	1.5
372.13550	4.9
376.16617	1.5
377.13730	2.2
386.15195	9.3
387.15717	1.7
388.16660	5.2
390.14386	1.6
397.21265	1.3
400.12439	1.8
400.16882	3.0
401.17371	1.5
402.14297	1.3
403.15118	3.3
404.16132	11.0
405.16714	4.7
406.17273	2.4
414.14343	3.3
416.16025	2.0
418.13736	2.1
419.14413	2.2
428.16052	2.0
429.16776	1.9
432.15579	5.4
437.15894	7.2
438.15994	1.3
446.17316	4.9
447.18027	4.8
509.21637	1.4
515.23071	1.4
519.26166	2.7
523.18970	1.5
527.23047	6.7
543.27277	2.2
545.24084	19.6
546.23987	2.8
551.22937	2.7
557.24286	2.1
559.27612	3.3
561.29126	4.1
567.31213	1.4
569.24030	13.6
570.25146	1.6
571.22650	1.5
587.25067	57.8
588.25421	8.8
590.23767	3.6
601.22797	1.5
613.23126	7.1
619.27942	1.3
621.31238	1.6
631.24036	68.5
632.24426	13.8
645.25708	5.1
645.36591	1.1
646.25189	1.5
663.26685	45.7
663.37695	1.6
664.26746	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	665.2298
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03301	2.3
57.35760	1.5
58.00463	2.2
59.01250	100.0
71.01263	45.9
72.99167	2.7
73.02818	13.8
82.06155	1.5
83.01257	4.7
85.02824	16.0
87.00715	3.2
89.02315	18.1
89.57027	1.5
92.24870	1.7
95.01256	3.4
96.95916	2.0
97.02832	2.0
101.02316	21.0
113.02325	36.8
119.03381	6.1
125.02308	2.6
131.03267	2.4
140.08913	1.7
143.03409	3.5
148.63637	1.7
149.04440	1.8
161.04485	7.6
179.05548	4.6
220.94531	1.6
245.77174	1.5
257.11792	13.7
258.12064	2.7
335.12314	8.2
457.20715	9.0
475.15643	1.2
475.21756	29.5
476.22330	3.4
485.19711	2.6
493.22870	7.6
517.22876	6.8
535.23743	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	665.2477
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01241	5.8
64.84892	2.0
71.01263	2.9
71.53049	2.3
79.14804	2.0
89.02312	2.2
94.02859	3.6
96.95934	2.7
105.47507	2.2
109.36826	2.1
116.92793	2.1
122.06020	5.9
136.03954	3.9
136.07581	5.8
150.05537	6.6
189.04268	15.0
192.28215	2.1
220.28323	2.5
220.56303	2.0
229.09785	12.2
230.11885	7.6
245.09276	3.6
257.09332	6.2
259.31497	2.0
273.12479	15.1
299.10406	2.1
317.11450	13.1
329.11505	21.7
330.11417	2.1
335.12509	100.0
336.12704	11.2
352.26517	2.1
420.74387	2.8
621.25818	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	665.2833
Annotation	Unknow
Peak:m/z	Relative Intensity
54.07538	4.1
55.00815	3.9
59.01248	59.1
71.01246	25.0
71.53592	5.4
72.01940	5.3
72.86588	5.1
73.02812	6.2
76.06164	4.3
83.96947	4.8
85.02811	9.2
87.00742	7.8
87.24039	4.3
89.02313	9.2
94.02866	75.9
96.95876	13.3
101.02299	18.0
110.05980	9.4
113.02333	7.6
120.08084	67.2
122.06021	14.0
122.42128	4.5
133.02834	7.5
138.03938	5.5
138.05469	30.9
161.04639	5.2
174.05484	9.0
203.05850	9.7
215.11729	5.8
219.54051	5.0
223.08685	5.3
236.09445	8.0
237.10309	9.0
251.11894	35.5
252.12363	6.7
253.09789	5.0
263.11954	8.8
264.08987	8.9
265.13419	11.9
276.08987	8.1
277.09778	36.6
278.10385	13.9
279.11218	8.2
291.11359	45.5
292.12082	46.5
293.12936	43.8
301.11722	5.7
303.13623	5.4
324.11127	6.9
325.11859	6.3
335.10382	11.8
336.11014	13.5
337.11771	11.7
339.08521	8.1
360.17255	5.8
369.09451	10.2
369.13602	10.9
372.17255	8.0
384.71948	5.1
388.16299	7.9
389.17462	5.1
402.18198	8.6
406.17313	6.7
414.18140	13.9
415.19208	5.6
418.17847	8.5
432.19336	11.3
447.40930	5.1
458.16864	6.7
459.17413	7.0
476.18350	32.9
477.18713	20.1
478.19901	8.0
490.19894	10.4
508.20840	100.0
509.21124	15.9
511.23438	6.5
525.62213	5.7
529.24103	12.0
555.22290	7.4
571.25610	7.4
573.23413	36.0
587.25507	6.0
589.26715	6.7
597.23462	7.9
605.25952	62.3
606.26379	16.3
615.24432	42.0
616.24487	11.2
629.26532	8.5
633.25549	78.6
634.25458	13.0
647.27374	40.8
648.27783	6.1
665.27802	40.8
666.28247	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	665.2946
Annotation	Unknow
Peak:m/z	Relative Intensity
55.21624	0.3
58.26580	0.3
59.01241	1.3
61.39182	0.2
61.98707	100.0
69.36015	1.8
71.01270	0.7
78.81821	0.3
84.07892	0.3
89.02299	0.4
97.35107	0.3
98.19844	0.5
101.02351	0.3
155.08176	0.4
161.24933	0.3
174.47444	0.3
183.24567	0.3
235.39587	0.3
266.11887	0.3
316.28989	0.3
333.68079	0.3
388.76767	0.4
555.30225	0.3
602.29803	1.9
603.30243	0.6
621.31512	0.5
665.38733	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	665.3029
Annotation	Unknow
Peak:m/z	Relative Intensity
52.45466	2.1
55.01730	3.3
57.03313	5.2
57.18457	2.3
59.01249	96.1
61.98709	3.6
62.13109	2.3
69.41291	6.2
69.41692	9.0
71.01249	69.2
72.99167	3.2
73.02813	11.9
75.12322	2.3
83.01228	8.3
85.02811	25.6
87.00767	4.8
87.04391	2.7
89.02311	29.2
94.06503	2.5
95.01266	10.1
96.95894	2.8
99.00750	5.5
101.02323	36.4
103.91850	2.4
111.00732	4.3
112.45674	2.1
113.02331	33.0
119.03375	10.4
122.06026	4.4
125.02325	6.7
129.01819	4.0
134.03619	2.6
143.03369	7.9
150.05493	2.9
160.01495	4.4
161.04425	11.2
174.05383	2.7
175.03938	4.5
179.05455	2.4
193.05128	4.1
201.10231	3.2
221.49771	2.2
299.01724	3.3
301.11954	3.2
302.12231	3.0
307.21127	2.7
319.12961	8.0
320.13290	11.0
321.13580	7.0
399.23755	7.8
404.16217	2.9
417.24869	6.0
456.22305	3.6
547.24774	3.6
561.29089	100.0
562.29773	13.3
575.33649	2.8
579.30206	75.3
580.30609	14.2
588.25043	3.3
589.25360	13.4
621.31146	16.3
633.24591	20.4
634.24200	2.8
647.24481	4.2
665.26227	15.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	665.303
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01734	3.6
57.03328	4.9
59.01249	94.0
59.40313	2.6
61.98695	8.0
64.94732	2.3
67.42876	2.3
70.70837	4.3
70.71174	3.5
71.01254	69.0
72.99187	6.7
73.02821	12.9
75.00722	2.2
83.01273	9.7
85.02830	22.1
87.00750	11.0
89.02312	29.0
95.01264	5.5
95.61400	2.6
96.95889	2.5
97.02814	3.6
99.00721	6.1
101.02325	36.2
111.00745	6.6
113.02332	31.9
119.03377	13.3
125.02327	9.3
129.01816	3.2
134.03572	3.6
143.03426	5.7
160.01561	6.0
161.04462	9.6
175.03804	5.6
179.05522	5.7
193.04990	3.4
230.10178	3.4
235.06020	2.5
297.11667	2.6
299.02072	3.5
299.05484	4.0
319.12946	8.2
320.13208	8.0
321.13611	5.9
338.64233	2.3
399.23737	4.7
417.24817	8.7
503.11362	3.8
547.24817	4.7
561.29144	100.0
562.29382	19.6
579.30151	84.4
580.30383	17.4
589.25604	15.4
621.31152	16.5
633.24646	20.5
665.26294	17.3
666.42615	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	667.1669
Annotation	Unknow
Peak:m/z	Relative Intensity
53.32676	2.2
58.50541	2.5
59.01250	100.0
61.98708	7.8
64.08027	2.8
66.61472	2.5
71.53639	3.6
101.96822	2.7
113.15858	2.3
115.58833	2.4
153.82591	2.6
240.98013	3.1
291.55701	2.6
645.16724	2.5
657.11359	2.5
667.30585	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	675.3597
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01751	1.9
57.03315	1.3
57.82564	0.5
58.00465	1.8
59.01254	53.8
60.01608	0.8
68.99628	0.5
69.03314	2.1
71.01257	36.1
72.99188	3.0
73.02824	6.4
76.74132	0.6
81.03336	2.4
82.03251	0.7
83.01263	4.2
85.02831	9.4
87.00757	10.4
89.02322	36.9
91.03875	0.8
93.69569	0.5
95.01250	2.6
97.02832	7.9
99.00741	2.0
101.02328	34.5
109.02878	0.6
111.04378	1.4
113.02341	17.1
115.03884	0.7
119.03394	10.3
125.02347	12.9
126.02624	0.8
128.70874	0.6
131.03404	2.1
133.05011	1.1
136.39410	0.6
139.03915	1.6
143.03387	6.9
145.76903	0.6
149.04512	1.0
161.04474	7.3
167.03430	1.1
179.05554	7.8
185.04495	0.7
217.07175	1.8
221.06631	2.3
222.07048	0.6
233.22592	0.7
235.08200	17.1
245.06618	0.8
253.09203	3.8
263.07794	1.2
277.21729	100.0
278.22095	11.3
287.07715	3.8
305.08752	4.2
323.09900	2.3
361.11462	1.0
379.12534	1.6
397.13510	89.1
398.13785	7.0
415.14587	39.8
416.14740	3.8
518.58679	0.6
645.49603	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.3596
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01752	1.2
57.03315	1.2
58.00461	2.3
59.01252	47.5
60.01601	0.9
69.03327	2.9
71.01254	39.3
71.53046	0.5
72.01595	0.9
72.99178	3.1
73.02813	5.9
78.95769	1.0
81.03327	1.4
83.01272	4.6
83.33150	0.5
85.02824	8.8
87.00758	11.6
89.02316	36.3
89.95426	0.6
95.01258	2.7
97.02837	6.8
98.19978	3.0
98.20651	1.2
99.00754	2.1
101.02328	34.7
102.02695	0.7
109.02782	0.6
111.00775	0.8
111.04411	1.3
113.02329	17.3
114.02636	0.7
115.03909	0.7
119.03391	10.5
124.12688	0.5
125.02338	13.7
125.75609	0.5
131.03397	1.2
133.04962	1.4
139.03867	1.4
141.01831	0.6
143.03406	6.0
149.04440	1.5
152.99496	1.3
161.04462	8.4
167.03456	0.7
179.05553	7.0
199.06122	0.8
217.07144	1.4
221.06599	2.9
229.31705	0.8
235.08186	16.0
253.09235	4.2
259.20511	1.0
263.07599	1.8
277.21719	100.0
278.22079	9.2
287.07648	4.2
305.08755	3.6
323.09860	2.1
361.11383	0.8
379.12411	1.5
397.13498	81.2
398.13812	7.3
415.14575	35.3
416.14969	3.8
427.36725	0.6
435.45950	0.7
577.36530	0.6
593.27466	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.3748
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01746	1.8
57.03305	1.3
58.00460	2.2
59.01250	44.2
61.58889	0.4
67.01757	0.6
68.99697	0.5
69.03318	1.8
71.01251	35.3
72.99186	2.2
73.02821	5.6
81.03320	1.6
83.01268	3.7
85.02333	0.8
85.02825	8.2
87.00745	8.7
89.02315	32.0
90.02654	0.8
91.03866	0.6
95.01274	2.8
97.02815	6.8
99.00724	2.5
99.04426	0.4
99.68694	0.4
101.02318	27.6
102.02644	0.7
109.02804	0.5
109.38464	0.5
111.04394	1.2
113.02327	13.8
115.03858	1.0
119.03381	9.5
122.62223	0.4
125.02335	10.9
127.03954	0.5
131.03369	1.5
133.04936	1.4
139.03876	0.9
141.01788	0.6
143.03406	5.4
149.04391	0.6
155.03293	0.5
161.04456	7.0
167.03389	0.5
169.04959	0.5
179.03812	0.6
179.05528	6.4
185.04434	0.7
199.06033	0.8
209.38248	0.5
214.01822	0.4
217.07056	1.6
219.05055	0.5
221.06664	2.8
235.05833	0.9
235.08177	13.5
236.08487	0.8
245.06584	0.8
253.09216	3.9
261.22095	0.6
263.07645	0.9
277.09262	1.0
279.23279	100.0
280.23587	9.3
287.07703	3.0
293.24918	0.6
297.06320	0.4
305.08862	4.0
323.09692	1.3
379.12546	1.0
397.13470	74.3
398.13794	6.5
415.14554	32.7
416.15045	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	677.3755
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01747	1.2
57.03310	1.0
58.00486	1.5
59.01254	35.8
61.98705	0.8
69.03326	1.9
71.01257	33.0
71.24929	1.1
72.01592	0.6
72.99184	2.8
73.02833	4.9
78.95773	1.8
81.03336	1.5
83.01273	4.3
85.02826	6.1
87.00758	9.1
89.02324	27.1
95.01257	2.8
97.02845	4.8
99.00765	2.0
101.02329	26.2
109.02829	0.7
111.04377	0.9
113.02331	16.1
116.99338	0.8
119.03404	9.3
120.25903	0.6
125.02352	12.6
131.03378	1.7
133.04935	0.8
139.04024	1.0
141.01831	1.4
143.03394	5.1
149.04436	1.0
152.99486	1.9
155.27274	0.6
161.04500	6.1
179.05539	6.1
185.04501	0.8
217.07037	0.8
221.06624	2.1
235.08188	14.6
236.08609	0.7
253.09196	3.3
263.07819	1.2
265.50705	0.6
277.09338	1.2
279.23294	100.0
280.23663	8.0
280.26462	1.2
287.07782	3.8
305.08804	3.9
323.09763	1.2
345.35950	0.7
397.13507	75.8
398.13748	6.4
415.14581	31.2
416.15005	2.2
426.10364	0.7
595.28894	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.4242
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03327	0.9
59.01246	2.9
60.46786	0.9
61.98724	1.1
69.37984	1.5
69.38391	5.3
71.01259	3.0
83.04900	1.6
84.02011	1.0
85.02837	3.0
91.50481	0.9
95.04935	1.3
97.02837	2.2
97.06471	2.8
98.17366	1.0
98.20679	0.9
109.06501	1.1
127.11230	0.9
131.63626	0.9
137.09607	1.4
139.30183	0.9
149.50818	0.8
149.69165	0.8
153.12802	0.9
163.11241	1.3
165.12758	14.3
171.10158	5.9
183.13721	1.7
191.06934	0.9
193.08409	11.6
193.12111	2.0
203.10558	1.4
205.08459	1.0
205.12079	2.7
207.09964	13.2
209.07845	1.2
209.11778	1.8
211.13341	11.3
219.10016	6.5
221.11606	9.2
229.14355	8.1
231.09976	7.9
233.11555	71.0
234.11923	4.6
235.09579	1.1
239.12895	1.8
243.10017	2.4
247.09413	1.8
248.10405	2.0
249.11212	9.5
251.12975	13.0
261.11075	15.7
291.19736	2.3
313.17813	3.3
327.21759	68.1
328.22098	6.1
331.18991	7.8
349.19934	100.0
350.20285	9.4
603.66650	1.0
642.92242	1.1
677.42352	7.9
678.41791	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	677.4943
Annotation	Unknow
Peak:m/z	Relative Intensity
57.43110	0.1
58.02828	0.3
59.01235	0.2
71.01219	0.2
80.04894	0.2
81.03330	6.9
83.04895	16.2
84.05224	0.3
98.20544	0.5
100.07544	0.2
107.06013	0.4
108.04417	0.4
112.96698	0.1
125.07056	0.8
126.05462	0.4
129.01837	0.2
143.08128	0.6
154.33356	0.2
154.97380	0.2
172.15765	0.1
185.48669	0.1
198.74753	0.2
207.14969	1.3
224.17654	2.3
225.16035	11.7
226.16335	0.6
229.18564	0.2
239.84807	0.2
242.18687	0.8
290.22421	0.3
309.21783	0.7
316.66931	0.2
324.26508	0.6
333.22891	0.9
334.22961	0.2
341.29166	1.1
342.29123	0.2
351.24274	0.3
367.26984	0.9
385.27936	0.3
430.82681	0.2
433.31799	1.3
450.34503	1.4
451.32870	4.9
452.33096	0.7
550.43219	0.8
559.39575	0.4
565.43964	0.2
593.43848	0.4
659.48663	1.5
660.48669	0.3
677.49646	100.0
678.49933	19.8
678.66565	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	679.262
Annotation	Unknow
Peak:m/z	Relative Intensity
59.00979	0.4
59.01245	2.6
69.29975	1.9
71.01253	0.3
83.01273	0.3
83.04895	0.6
94.02876	1.8
96.95875	0.7
98.02358	0.4
98.19768	0.4
107.03693	0.3
108.04455	2.2
120.04443	0.5
121.05186	0.3
122.06004	8.5
123.06358	0.3
124.03910	1.1
129.71460	0.2
132.04425	0.3
134.06012	1.0
135.06781	0.5
136.03951	3.8
136.07582	7.8
137.04707	0.3
138.05507	1.6
144.04454	0.9
148.07608	0.2
150.05513	7.6
151.05864	0.5
152.07140	1.3
159.11717	0.4
161.04730	0.3
162.05450	0.3
163.08736	0.3
171.96570	0.3
174.05522	0.3
174.09158	0.6
176.03416	0.6
186.09171	2.5
187.11182	0.7
188.03522	0.2
201.06487	2.2
201.08240	0.3
202.07144	1.6
202.08867	0.7
202.12326	1.1
203.05841	0.5
203.07880	0.3
212.10724	1.1
213.06482	0.3
214.07446	1.1
215.08160	2.4
216.08687	0.6
227.08182	0.4
228.10266	2.8
229.09763	12.7
230.12006	6.7
231.11757	0.9
240.08966	1.0
241.09793	0.6
243.07661	0.5
244.08456	0.8
245.09293	4.2
245.12912	0.8
255.11401	3.1
257.09305	6.7
258.10022	1.3
259.10974	0.7
263.10400	0.6
273.12439	17.2
274.12784	1.0
275.10361	1.5
290.12537	0.4
291.13406	0.6
299.10294	0.8
317.11395	17.2
318.11694	1.4
334.11679	1.3
335.12473	100.0
336.12799	9.5
343.12881	1.1
447.53513	0.3
575.22028	0.4
607.23975	0.5
647.22809	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	679.3913
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01740	1.1
57.03311	1.3
58.00474	1.7
59.01254	35.6
69.03332	2.2
70.14062	3.4
71.01259	32.4
72.39064	0.8
72.64990	0.9
72.99178	2.1
73.02818	5.2
81.03342	1.1
83.01263	3.4
85.02831	6.9
87.00753	9.3
89.02322	28.4
95.01262	2.6
97.02832	6.3
98.19879	1.1
99.00759	2.6
101.01699	1.7
101.02330	26.6
102.02631	1.1
113.02328	14.6
119.03407	9.9
125.02348	12.0
131.03369	1.3
139.03918	1.1
143.03462	4.6
161.04463	5.8
176.09163	1.1
179.05574	6.4
185.29965	0.9
221.06615	2.0
235.08186	12.4
243.91237	0.9
245.22435	0.9
253.09210	3.8
263.07697	1.6
281.24866	100.0
282.25232	7.8
287.07751	3.6
295.26376	1.6
305.08759	4.1
323.09808	2.0
397.13525	78.9
398.13953	7.5
415.14606	34.0
416.14703	1.2
685.97925	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	679.391
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	36.7
61.98685	5.8
64.87640	1.1
69.03315	2.9
71.01252	33.1
72.99189	2.6
73.02812	4.3
80.96397	1.2
83.01238	2.6
85.02824	7.5
87.00758	8.5
89.02312	27.3
95.01295	1.6
96.64655	0.9
97.02848	7.0
99.00761	2.0
101.02323	28.8
111.04408	1.6
113.02333	12.6
115.92000	1.6
116.92766	2.2
119.03400	9.9
122.14614	1.2
125.02322	10.9
139.03838	1.7
143.03378	5.9
152.98442	1.1
161.04428	4.9
167.03268	1.4
179.05489	6.3
217.07132	1.5
221.06551	3.0
235.08199	10.6
253.09218	3.3
281.24844	100.0
282.25180	9.6
287.07779	2.6
305.08789	3.7
323.09891	1.6
329.12772	1.0
379.12280	1.4
397.13474	80.6
398.13824	7.1
415.14563	32.4
416.14697	2.7
537.87872	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	680.1836
Annotation	Unknow
Peak:m/z	Relative Intensity
52.85102	3.2
54.48288	4.1
54.99007	3.6
59.01254	33.4
63.97000	4.2
65.00208	6.3
69.32399	3.6
71.01253	18.5
72.92390	3.8
73.02822	6.4
83.01283	6.1
85.02850	7.5
87.00757	4.9
89.02338	8.5
98.20194	4.2
101.02319	9.6
107.01225	5.3
109.02869	10.2
111.00760	9.6
113.02382	5.5
119.38499	3.7
122.02390	5.0
123.00766	7.5
123.04428	4.9
124.01579	4.2
125.02365	6.6
134.02415	13.6
137.02374	33.8
142.89185	3.7
146.02390	6.5
146.60724	3.9
148.01566	5.0
151.00273	26.3
152.01042	5.0
162.01900	31.4
162.03094	6.6
163.00267	11.3
164.03429	37.1
167.03438	5.1
176.01192	4.3
177.01884	38.1
178.99768	12.3
179.05502	6.1
181.05113	5.4
186.01901	31.7
187.58617	3.6
190.01419	18.1
202.91350	4.4
203.01971	5.4
204.02917	22.5
211.26614	4.2
230.00903	5.5
239.03369	4.3
242.02124	9.7
243.02919	13.4
255.02988	8.6
270.01544	6.4
270.04248	6.1
271.02515	14.6
283.02591	9.2
284.03241	13.5
285.03860	16.0
286.04117	6.9
287.02017	6.3
298.04718	5.1
299.01804	12.9
299.05585	17.7
300.02429	6.9
300.05417	10.1
302.04266	4.5
310.03500	17.4
313.03546	32.8
314.04114	16.8
315.05011	7.3
322.03683	12.8
323.04346	11.2
324.05109	4.8
327.05182	18.1
330.03519	7.5
330.06918	6.4
331.04605	13.5
336.05148	17.7
338.03061	10.2
338.06784	6.3
339.03690	8.7
340.04630	10.5
353.05411	21.0
354.06195	94.6
355.06424	9.5
356.04050	10.3
371.06369	9.4
372.07260	18.0
433.13907	4.3
515.14282	10.9
517.12531	5.2
530.15192	14.5
577.28741	5.3
630.14941	5.6
639.15485	21.8
648.15601	9.4
662.17212	78.4
663.17450	13.8
680.18311	100.0
681.18616	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	681.2892
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	2.3
59.19248	0.2
59.37870	0.1
61.98701	100.0
62.98394	0.2
63.79440	0.1
71.01261	1.3
71.52460	0.2
73.02821	0.5
83.01250	0.2
85.02838	0.7
87.00763	0.6
89.02322	0.6
96.95874	0.2
101.02331	0.9
105.86198	0.2
111.00800	0.3
113.02316	0.5
129.01831	0.3
138.04050	0.1
145.54443	0.2
151.03929	0.3
155.08191	0.5
161.04509	0.2
164.04688	0.2
190.02718	0.3
190.51955	0.2
205.05008	0.4
223.06067	0.4
232.73582	0.2
251.11395	0.2
265.07260	0.2
395.13959	0.2
519.32043	0.4
529.15747	0.3
618.29474	2.1
619.29352	0.6
681.27710	0.2
681.37238	3.8
682.37671	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	681.2888
Annotation	Unknow
Peak:m/z	Relative Intensity
50.28761	0.2
59.01255	0.3
59.17044	0.1
61.98701	100.0
71.39986	0.2
72.73762	0.1
81.76060	0.1
82.02860	0.3
127.05022	0.3
129.10245	0.5
133.05267	0.2
135.04437	0.2
135.80972	0.2
146.06001	0.5
154.34555	0.2
155.08167	1.0
179.08250	0.2
192.28500	0.1
223.10956	0.2
245.61946	0.2
264.10138	0.3
274.12067	0.4
276.17175	0.4
302.15021	0.3
482.24066	3.5
483.24399	0.6
600.28326	1.0
601.28851	0.2
618.29358	1.2
619.29803	0.4
681.27972	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	683.2246
Annotation	Unknow
Peak:m/z	Relative Intensity
50.78595	0.6
57.03309	0.7
58.00449	2.2
59.01252	44.0
69.66595	3.0
71.01253	37.0
72.99161	2.3
73.02808	1.2
83.01266	1.0
85.02837	5.7
87.00740	2.1
89.02317	50.2
95.01247	2.1
101.02316	18.9
102.02702	0.7
104.15854	0.6
113.02332	15.8
119.03392	16.9
120.03709	0.6
125.74247	0.5
130.09453	0.6
131.03355	2.5
135.81078	0.6
143.03427	3.8
149.04544	1.4
155.68660	0.7
161.04427	4.2
179.05527	18.4
186.41319	0.6
320.50674	0.6
341.10873	100.0
342.11166	6.8
342.89551	0.6
356.20474	0.6
474.98776	0.5
478.20514	0.6
606.23663	0.7
709.23425	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	686.157
Annotation	Unknow
Peak:m/z	Relative Intensity
51.56442	1.0
51.57948	1.3
52.60988	1.2
53.08608	1.0
57.15804	1.0
59.01233	4.7
61.98703	54.3
62.97001	1.2
63.11708	1.1
66.82721	1.2
69.38950	9.2
71.01250	3.5
73.02831	1.9
75.00745	1.8
89.02288	1.3
89.25432	1.0
93.21674	1.0
97.55358	1.1
98.20521	2.4
116.13941	1.2
199.03874	2.3
227.03490	2.2
243.03001	13.8
244.03491	1.6
255.03000	7.8
257.04593	3.2
270.01608	2.2
271.02438	26.0
272.03131	3.9
285.04034	6.0
286.04758	2.4
287.05496	2.5
299.01950	31.9
300.02676	28.7
301.02969	2.4
314.04324	43.2
315.05087	84.2
316.05423	7.2
417.64200	1.3
484.79068	1.4
623.16113	100.0
624.16577	15.3
685.39893	3.1
686.25024	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	688.3141
Annotation	Unknow
Peak:m/z	Relative Intensity
56.54583	1.5
59.01257	9.8
61.98697	10.2
69.00814	3.9
70.45326	3.8
70.47293	1.7
71.01242	5.8
71.02376	10.3
71.02695	1.8
73.02800	2.2
85.02865	1.9
89.02308	2.4
93.03328	2.3
96.95847	2.4
97.00308	2.6
98.01077	4.6
98.20142	3.5
99.01839	4.4
101.02376	2.0
107.04870	5.0
111.01886	3.3
113.02317	3.0
113.07082	5.8
116.04940	13.2
118.06513	14.6
119.04890	5.6
125.03408	2.3
134.06006	4.3
146.06039	19.1
150.06642	2.6
153.06552	6.9
161.07059	6.8
162.05493	3.3
170.09172	3.3
173.07101	2.4
179.08200	3.1
180.06473	3.3
186.95580	2.1
187.05051	81.9
188.05394	4.4
189.06624	26.2
191.08163	9.1
198.97908	2.2
201.06557	2.8
215.11896	26.7
218.06900	8.0
240.11435	12.1
241.09613	2.5
258.12485	2.7
259.10803	4.4
266.11829	44.7
267.12018	3.7
272.13928	3.1
280.10870	3.0
283.14481	14.2
307.10727	4.3
309.12280	6.6
378.18222	5.3
411.16891	3.7
428.19748	100.0
429.20093	13.2
454.17740	11.5
455.18481	31.5
456.18698	8.6
507.23682	4.9
509.34586	2.1
525.24982	5.8
526.25305	2.1
645.39569	2.5
670.30170	13.8
688.31158	97.4
689.31549	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	689.3393
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00465	0.7
59.01252	18.0
61.98706	1.3
63.32545	0.7
69.03328	1.4
70.02274	2.2
71.01254	17.1
72.16670	0.6
72.99174	1.2
73.02824	2.3
80.52293	0.6
83.01254	2.0
85.02831	4.1
87.00771	4.1
89.02315	15.2
95.01251	1.0
97.02830	2.2
98.20482	0.9
99.00820	0.7
101.02324	14.0
111.03134	0.7
113.02345	6.3
119.03391	4.6
125.02352	6.0
125.05932	0.8
143.03407	3.2
148.08783	0.7
150.83620	0.7
160.52507	0.7
161.04509	3.6
163.11211	1.2
165.12770	18.1
179.05511	3.7
191.14394	0.8
215.94312	0.7
221.06735	0.9
235.08212	5.9
247.20647	9.5
248.20773	0.8
253.09198	1.9
273.18564	5.4
287.07742	1.5
291.19669	100.0
292.19946	10.4
305.09027	0.8
323.09851	1.0
397.13492	37.9
398.13901	3.1
415.14569	28.1
416.14948	1.2
520.44012	0.7
637.96912	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	689.3385
Annotation	Unknow
Peak:m/z	Relative Intensity
50.61297	1.9
52.87365	1.8
57.03324	3.2
59.01253	21.1
61.98697	1.6
71.01253	20.0
71.53313	2.1
73.02811	2.1
85.02842	2.3
87.00757	5.3
88.27606	1.9
89.02322	14.9
97.02800	2.5
101.02332	15.7
105.01038	1.8
107.17941	1.7
111.08070	9.9
113.02346	8.5
114.50137	1.6
119.03403	4.0
125.02347	4.6
143.03387	2.7
149.04291	2.0
177.12677	2.6
179.05528	2.4
195.13864	7.4
235.08189	3.8
247.20555	2.0
291.19666	100.0
292.20023	6.9
383.87646	1.9
397.13580	35.6
398.13983	2.5
415.14584	21.7
416.15009	1.9
488.80063	2.2
689.34204	3.0
706.14429	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.3543
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03310	0.9
58.00457	0.9
59.01249	15.7
61.77167	0.5
62.76571	0.5
69.03326	0.8
70.02018	2.5
71.01254	12.0
72.99153	1.4
73.02816	2.1
76.65597	0.5
78.55015	0.5
78.95794	0.9
83.01239	1.7
85.02837	2.8
87.00750	2.6
89.02318	10.3
92.00964	0.5
95.12985	0.6
96.95889	0.5
97.02834	1.8
99.00786	1.0
101.02328	9.9
111.08036	0.7
113.02335	4.2
119.03442	2.7
125.02323	2.9
129.71849	0.6
131.03427	0.6
143.03432	1.7
161.04410	2.0
167.10655	0.7
179.05511	2.8
193.08351	0.6
195.13829	6.5
205.12148	0.9
223.13318	4.9
228.13695	0.8
235.08186	2.5
253.09113	1.2
256.13147	0.8
275.20236	3.8
293.21216	100.0
294.21512	9.9
326.45651	0.6
397.13483	21.0
398.13824	1.9
415.14532	22.7
416.14813	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.4346
Annotation	Unknow
Peak:m/z	Relative Intensity
51.30037	1.0
59.01250	13.2
60.24478	1.1
70.76236	2.0
78.95776	73.9
78.97563	1.1
90.67928	1.0
96.96849	7.4
97.92345	1.1
116.97136	51.3
141.01588	14.9
152.99492	56.2
197.78331	1.0
198.97475	8.4
223.01897	2.6
235.58362	1.0
236.99287	1.0
255.23221	4.0
277.21719	100.0
278.22086	10.0
280.97900	19.0
305.02240	2.3
362.98062	8.0
391.22739	1.1
409.23593	1.3
413.20947	36.4
414.21362	4.8
431.22067	15.0
432.22079	1.5
691.43054	11.6
692.43384	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	692.2934
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01238	1.1
60.99177	16.4
61.98700	1.2
67.84077	0.3
69.93770	1.6
69.94101	0.4
78.95783	0.4
82.02848	0.4
87.00732	0.6
88.00274	1.4
88.98675	100.0
89.02306	0.8
89.99013	1.0
93.95418	0.3
97.39374	0.4
98.20458	0.6
155.08138	1.4
250.72600	0.4
266.11914	0.9
295.67529	0.4
334.71851	0.4
394.17667	0.7
602.29779	2.9
603.30054	1.3
604.29517	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	693.2042
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01242	2.1
85.02805	1.7
96.95914	1.9
98.20043	4.9
101.02320	1.3
111.00766	1.3
113.02337	1.5
119.04897	2.9
121.02859	1.5
132.02072	4.7
133.02812	2.6
134.03641	47.9
135.04027	1.9
137.02344	8.5
139.03900	3.2
142.05202	0.8
143.44276	0.9
147.04445	1.3
148.05217	0.8
149.02374	0.9
149.05998	17.7
150.06296	1.1
160.01579	31.9
161.02272	3.3
163.03951	1.7
175.03935	37.0
176.04529	3.9
177.01840	1.2
178.02649	31.9
179.03214	2.8
191.07080	3.1
192.04269	2.0
193.05003	100.0
194.05388	6.1
199.06821	0.8
217.04980	1.6
235.06154	7.0
303.04272	1.0
311.29077	0.9
323.07733	4.4
337.09296	31.3
338.09595	2.9
531.15094	71.9
532.15417	11.8
573.15833	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	693.204
Annotation	Helonioside A
Peak:m/z	Relative Intensity
71.01256	3.9
71.23306	1.3
72.99184	1.3
77.84370	1.4
85.02818	4.1
86.80835	1.3
96.95913	1.6
98.20208	2.0
101.02367	2.7
111.00801	2.4
119.04945	3.6
121.02862	3.0
132.02075	5.4
133.02853	15.9
134.03644	85.6
135.04489	10.2
137.02345	14.7
139.03963	3.2
149.05988	19.4
150.03178	2.0
160.01584	37.1
161.02356	36.7
163.03915	1.8
175.03932	47.6
176.04633	4.2
177.01828	2.8
177.05542	2.5
178.02640	40.4
178.04199	2.1
179.03369	11.2
191.07036	3.2
192.04201	12.7
193.05002	72.0
194.05246	3.2
207.06551	7.3
217.04968	2.4
221.04591	3.1
230.00932	1.5
235.06084	4.5
323.04120	2.5
323.07733	31.4
324.08081	2.8
337.05417	2.3
337.09326	32.9
338.09848	2.0
499.13614	2.6
531.15125	100.0
532.15479	15.3
550.43054	1.7
573.16040	4.0
693.20819	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	693.2035
Annotation	Unknow
Peak:m/z	Relative Intensity
56.84541	1.9
59.01244	9.6
69.48408	16.9
71.01245	11.9
75.12507	1.9
78.69015	2.1
84.21722	2.2
85.02807	5.4
89.02303	2.5
90.09587	2.2
96.95879	6.4
98.20518	3.5
101.02296	5.9
111.00761	3.2
113.02277	4.3
114.86580	2.4
119.04913	34.3
121.02867	2.4
125.02324	3.7
132.02039	6.7
133.02875	5.5
134.03627	86.5
134.04648	4.6
134.76967	2.5
135.03998	3.7
137.02348	16.2
139.03860	2.9
147.04430	2.4
149.05997	22.9
150.03105	4.4
160.01543	20.7
163.03961	14.3
171.82828	2.4
175.03886	20.2
176.04532	2.9
178.02621	48.0
179.03178	3.0
190.02670	4.0
191.07047	4.1
192.84216	2.3
193.04988	100.0
194.05342	5.7
205.04991	5.2
223.06000	2.3
229.09743	4.1
235.06068	16.8
243.11304	4.8
244.12103	2.4
257.09259	14.6
259.10681	4.0
265.07224	7.7
272.11609	7.1
275.10339	6.8
290.12744	4.9
295.08182	6.1
334.11716	4.5
336.70605	2.5
349.14026	50.9
350.14490	3.1
397.11301	6.4
485.13052	2.3
487.14542	8.3
499.14560	24.9
500.15341	4.9
517.15601	47.4
518.15863	7.8
554.19775	2.3
619.17773	3.2
693.20331	29.7
693.32001	3.9
694.21478	4.9
694.32813	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	695.2928
Annotation	Unknow
Peak:m/z	Relative Intensity
51.62401	1.5
55.16629	1.6
57.50766	1.5
59.01249	13.5
70.25146	1.7
70.88287	2.9
71.01251	6.5
73.02817	2.7
80.04928	1.7
82.02872	2.0
89.02319	2.7
94.02861	22.1
96.95899	1.5
99.00704	1.5
101.02311	4.3
106.06508	2.5
108.04450	3.4
110.05993	5.9
111.00780	3.3
113.02325	2.5
119.03322	1.6
119.93332	1.5
120.04407	1.8
122.06004	9.7
124.03925	4.3
136.03935	2.4
138.05481	9.8
144.04362	1.7
150.05487	5.2
161.04680	2.1
162.05511	1.9
168.06502	2.4
174.05516	3.4
175.05133	2.3
179.05402	1.4
180.06645	2.8
188.07080	1.9
201.10210	8.9
203.05771	3.8
210.74994	1.6
213.10271	5.1
214.07187	1.9
215.11932	2.2
227.11896	5.6
229.09741	10.2
229.13480	4.8
235.12396	1.8
236.09567	1.6
237.10268	3.6
239.11916	12.8
241.09682	3.4
245.12753	2.0
247.10846	2.7
251.08167	2.5
251.11807	4.2
255.11316	5.5
257.12967	5.2
259.10834	3.5
263.08282	2.0
263.11954	2.2
264.09094	8.3
265.09738	6.7
266.10693	2.2
267.11386	3.4
273.12372	7.1
276.09012	2.2
277.09882	3.8
278.10727	2.2
279.07831	3.3
279.11395	11.6
280.11890	3.1
281.09430	1.7
281.12817	4.3
283.10846	5.2
287.76794	2.3
289.11966	3.3
290.10327	2.3
291.07779	2.4
291.11346	7.5
292.08545	11.1
292.11426	2.4
293.09097	4.5
301.11957	22.6
302.12140	1.8
306.10114	5.3
307.10861	30.3
308.11530	9.6
309.12418	2.5
311.10382	1.9
312.10965	1.9
314.04349	1.8
315.13397	1.6
319.12991	62.7
320.13232	4.6
327.13531	3.5
330.12668	2.4
335.10318	1.8
343.13028	3.1
344.14188	2.9
349.14063	2.5
350.09000	10.6
350.13492	2.2
351.09851	29.4
351.14114	1.8
352.10175	2.4
365.11185	2.9
386.15149	5.4
387.15662	4.1
388.16733	2.4
404.16019	6.9
414.14728	3.4
418.13901	2.9
428.16364	1.8
429.16760	3.0
430.17752	6.0
432.15466	2.5
433.15982	2.6
437.15863	3.3
446.17334	6.7
447.17783	5.1
448.18585	4.8
462.20572	1.8
474.16714	3.2
480.21310	2.4
491.17334	2.2
492.17599	9.1
506.19370	17.6
520.20569	1.9
527.22913	6.3
533.30194	2.0
538.21979	59.7
539.22327	10.3
545.24146	11.5
557.24463	2.0
569.24115	12.6
571.22137	4.3
587.25085	38.6
588.25293	6.7
603.24829	11.7
613.23450	7.7
619.27502	5.4
631.13989	3.1
631.24072	47.1
632.23950	8.8
633.24915	2.0
635.27216	7.1
645.25635	14.0
646.25690	3.7
663.26715	100.0
664.26978	22.9
677.28204	2.8
695.28680	20.5
696.29816	5.6
710.81433	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	695.3119
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	100.0
70.82502	4.1
73.25066	3.1
78.95776	12.1
183.73645	2.5
279.23550	2.8
280.52673	2.6
441.89441	3.0
549.82776	3.2
695.31085	56.3
696.31665	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	695.3494
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01751	2.9
57.03312	2.6
58.00462	2.5
58.89424	1.2
59.01251	39.2
61.98697	1.3
65.97691	1.2
69.52399	6.8
71.01254	38.0
72.99176	5.3
73.02818	7.4
75.00767	1.8
81.63680	1.2
83.01259	5.1
85.02824	15.8
87.00771	1.9
88.60846	1.2
89.02325	18.1
95.01273	3.9
96.62389	1.2
96.95879	1.5
98.19979	4.2
99.00746	3.0
101.02324	20.9
111.00722	1.3
113.02338	14.9
119.03378	5.8
161.04492	2.8
200.18346	1.4
229.18033	1.7
269.04587	1.5
307.10910	1.7
319.13071	3.2
334.11017	1.4
351.09848	2.1
391.23358	2.4
403.19284	1.6
489.30811	7.4
515.28589	2.7
517.30341	3.6
522.36798	1.3
533.29773	4.7
538.21704	2.7
587.24695	1.8
631.24030	3.1
645.24707	2.3
651.35974	21.1
652.36377	3.7
663.26837	5.5
695.35028	100.0
696.35443	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	696.2889
Annotation	Unknow
Peak:m/z	Relative Intensity
54.43577	4.8
59.01245	32.1
61.98701	50.5
66.03348	6.8
69.03339	6.1
69.18802	48.2
71.01242	15.6
72.00780	7.5
73.02822	10.5
80.10493	6.1
80.28281	5.5
82.02840	31.5
84.17097	6.0
85.02834	6.4
89.02329	7.9
93.03349	21.8
96.00813	5.5
97.02840	16.4
98.01081	14.3
98.19801	16.9
99.00735	7.0
101.02311	9.0
107.04920	13.1
108.02039	21.5
108.04443	5.6
109.02839	25.5
109.03963	7.1
110.02370	7.4
111.03128	9.3
116.04947	8.6
119.04914	25.9
121.02850	21.8
122.06033	6.6
123.04414	35.0
124.01577	24.1
124.03927	10.6
124.07584	7.9
125.02370	29.9
127.05041	68.8
128.03409	40.8
129.10231	21.8
133.05217	7.5
134.03568	6.5
134.06061	8.3
135.04428	53.1
137.02344	64.6
139.04997	8.1
139.08673	6.3
146.06013	16.7
148.04059	7.3
149.04750	9.7
150.05504	35.4
151.03896	34.9
151.04921	6.5
151.08694	17.0
155.08167	100.0
156.08496	7.2
161.02380	6.6
163.03958	18.0
164.07062	14.3
165.05434	6.3
166.06161	21.0
168.06580	40.6
172.07484	7.3
177.02983	7.6
179.08189	24.1
180.06593	56.8
181.06961	6.8
184.07216	40.3
186.17867	5.9
194.04514	10.6
195.02927	11.4
195.84865	5.8
196.06049	8.0
205.06198	10.8
206.04427	8.0
212.05600	49.3
212.35052	5.9
222.08772	65.8
222.12415	10.6
230.11783	19.3
231.55223	5.8
240.13548	13.9
242.11873	7.1
274.10773	61.8
274.15561	10.4
276.17181	9.2
277.15353	6.5
279.14529	15.9
291.10468	6.2
291.13315	31.7
297.15637	12.8
298.10864	11.9
302.15005	10.7
335.17331	17.4
372.19302	8.7
444.22488	24.3
445.21838	6.4
483.22699	23.7
497.93723	6.8
505.24954	10.1
523.25653	6.9
549.23456	7.6
551.25006	8.0
567.25104	9.0
578.26123	16.0
653.33978	10.0
662.28528	19.5
678.27826	27.0
696.27448	8.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	697.1774
Annotation	Unknow
Peak:m/z	Relative Intensity
55.93229	0.2
56.64916	0.2
59.01251	100.0
60.01594	1.0
61.98717	0.4
70.66654	0.4
70.66997	0.3
72.85590	0.2
76.81226	0.2
98.20398	0.2
121.02840	2.4
127.94787	0.2
139.41000	0.2
156.75780	0.2
161.53239	0.2
191.03467	0.7
209.04462	1.3
247.93477	0.2
336.15030	0.2
346.23175	0.2
401.09076	0.2
547.51111	0.2
593.13599	0.7
594.13184	0.3
639.06146	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	699.3815
Annotation	Unknow
Peak:m/z	Relative Intensity
54.25345	2.9
59.01248	28.9
61.98710	3.1
63.82766	2.6
71.01267	22.8
83.71513	2.6
85.02811	6.2
87.00777	4.1
89.02314	21.3
97.02869	3.5
98.20584	5.4
101.02319	19.1
113.02309	8.0
119.03397	4.3
121.61484	3.4
125.02354	8.4
143.03387	3.6
161.04417	3.8
176.86333	3.1
179.05504	5.3
184.69592	2.9
188.44887	2.6
235.08125	11.3
241.21718	69.5
242.22154	4.3
287.07950	4.5
305.08853	4.3
371.84619	3.0
397.13464	100.0
398.13965	3.4
403.28616	3.1
408.90952	2.9
415.14676	26.8
639.36078	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	700.1522
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	7.3
60.01567	1.0
61.98704	100.0
69.07997	0.7
69.63756	3.3
78.95802	1.0
79.56934	0.6
82.63766	0.6
91.84747	0.7
98.20560	0.7
122.86736	0.7
136.20990	0.6
139.06554	0.7
226.54538	0.8
293.21274	0.9
355.16885	0.7
396.16824	0.7
429.14828	0.8
596.11475	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	703.2455
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00701	0.5
55.01757	0.8
57.03313	0.7
58.00446	0.7
59.01248	21.7
59.87822	0.4
60.01566	0.5
61.98697	0.5
69.03328	0.4
71.01252	14.3
71.16256	0.7
72.99174	2.1
73.02809	1.8
73.04605	0.5
74.79216	0.4
75.00734	0.7
81.03308	0.8
83.01250	1.2
85.02818	5.9
87.00757	0.9
89.02312	6.9
93.03299	0.7
95.01275	3.1
96.33453	0.4
97.02795	0.5
99.00726	0.4
101.02318	5.2
108.02051	53.4
109.02847	23.5
110.03172	0.7
111.00790	0.8
113.02291	2.8
119.03368	1.9
120.60117	0.4
121.02866	0.6
123.00774	2.4
123.04379	1.5
125.02306	0.6
135.04356	0.6
144.69859	0.4
151.03896	0.9
152.01053	56.1
153.01840	23.3
154.02185	0.5
163.03877	1.8
163.11160	1.5
165.01825	1.0
181.12268	4.7
183.10223	0.4
200.73407	0.5
207.10193	0.7
225.11292	3.3
239.12746	0.6
263.12735	0.6
315.07010	0.6
327.08505	0.6
382.67664	0.6
479.19162	6.7
480.19687	0.6
505.17218	0.8
523.18237	19.5
524.18420	2.3
541.19287	1.1
703.24512	100.0
704.24799	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	707.3492
Annotation	Unknow
Peak:m/z	Relative Intensity
58.75917	3.7
59.01242	27.9
61.98685	11.6
62.77786	3.4
63.76724	3.4
63.87458	3.7
69.35057	4.5
70.76666	10.6
71.01243	18.8
83.01239	5.0
85.02817	6.1
89.02326	15.6
94.52041	3.9
97.05692	4.6
101.02319	19.2
113.02351	9.4
125.02280	5.4
167.14122	4.2
247.20493	5.7
255.05005	4.4
291.19684	27.0
309.20728	100.0
310.21002	11.9
397.13394	16.7
415.14642	19.6
684.00146	4.7
707.34589	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	707.3496
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00466	1.6
59.01251	19.5
61.98716	2.0
70.65922	1.6
71.01254	17.2
72.99165	1.5
73.02812	2.4
83.01272	2.0
84.77235	0.9
85.02827	3.8
87.00756	3.0
89.02319	16.5
97.02831	1.9
97.06474	1.4
99.00721	1.3
101.02328	12.1
113.02327	6.7
119.03422	5.5
125.02317	3.1
129.58755	1.0
143.03406	1.7
152.32996	0.9
153.12799	1.2
159.82971	1.1
161.04475	2.5
164.79626	1.0
179.05544	3.3
179.14378	1.0
181.12239	2.2
182.12437	1.0
193.12222	1.0
195.13866	1.3
197.11855	1.1
207.14000	1.0
211.13295	1.6
221.15294	1.2
235.08174	2.8
247.20644	3.6
253.09299	1.1
257.64813	0.9
273.18506	2.6
281.21313	1.6
287.07751	1.1
291.19675	29.5
292.19913	2.1
309.20718	100.0
310.21078	9.1
311.22226	1.1
377.54599	1.0
397.13538	21.8
398.13831	1.5
415.14536	19.5
416.14554	1.7
573.92242	1.0
707.34955	14.0
708.35187	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	707.3499
Annotation	Unknow
Peak:m/z	Relative Intensity
53.61989	0.9
54.40154	0.8
55.01748	0.7
57.03330	1.0
59.01255	19.0
61.98688	2.3
65.34647	0.8
69.03315	0.9
69.81964	3.2
71.01254	12.3
71.01622	1.3
72.99175	1.1
73.02816	2.1
75.39504	0.7
81.03342	0.8
81.93958	0.8
83.01263	1.3
85.02814	2.9
87.00757	2.7
89.02322	12.4
95.04878	1.0
97.02827	3.3
99.00764	1.2
101.02327	11.4
113.02346	6.3
113.67737	0.7
119.03391	4.7
125.02329	4.2
131.03450	1.2
143.03395	2.3
153.12697	0.8
161.04446	3.0
163.11223	3.7
164.50558	0.8
165.12743	5.5
179.05499	3.0
179.14268	1.6
181.12268	1.7
193.15923	1.5
209.11650	1.0
221.06691	0.8
223.13397	2.1
224.05557	0.8
235.08192	2.9
247.20634	6.6
253.09393	1.1
265.07718	0.8
273.18631	2.4
287.07632	0.9
291.19659	61.9
292.20074	5.8
309.20715	100.0
310.20966	7.3
333.62164	0.8
340.26059	0.9
397.13483	19.9
398.13959	1.3
415.14569	21.5
416.14789	1.5
663.33759	0.8
707.34918	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	708.2886
Annotation	Unknow
Peak:m/z	Relative Intensity
56.50377	0.3
59.01257	2.3
60.99175	18.9
61.98693	2.0
70.27805	0.8
70.28162	0.7
71.01254	1.2
72.99197	0.4
73.02773	0.3
85.02814	0.6
88.00269	1.2
88.98676	100.0
89.02319	1.4
89.99023	1.5
93.03342	0.3
94.46745	0.4
96.95892	0.6
101.02310	0.8
103.16592	0.3
111.00828	0.3
113.02322	0.6
116.92731	0.6
127.05057	0.4
133.05203	0.6
134.06020	0.4
146.06015	0.4
155.08151	1.9
264.10309	1.0
274.12057	0.4
281.13040	0.5
482.24191	1.6
483.23865	0.6
497.86929	0.4
600.28601	1.6
601.28241	0.8
618.29224	1.8
619.29889	0.8
709.39764	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	709.2837
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	2.7
61.98702	92.4
65.04667	0.7
66.03356	1.2
68.04926	1.4
71.01251	1.6
71.02371	1.2
72.00792	2.1
74.02345	2.1
82.02853	7.0
85.02820	0.8
87.00766	0.7
88.98705	0.7
89.02329	0.9
93.03339	2.8
94.02905	0.9
96.95860	3.1
97.00300	0.8
98.01115	3.0
99.92455	1.2
103.81077	0.6
107.10735	0.7
108.04426	1.4
109.03951	1.6
111.03150	1.8
111.05518	2.4
112.03949	1.5
115.91963	2.6
116.04966	2.4
116.92751	5.8
119.04912	6.3
127.05025	6.5
128.03421	20.4
129.10265	3.5
134.06030	3.5
137.03447	1.2
139.04985	0.8
146.06013	4.9
147.06253	0.9
155.08159	22.6
162.05508	0.8
163.03934	6.5
164.07047	1.0
174.05559	1.1
177.02982	2.4
179.08185	6.9
179.53223	0.7
180.06586	24.0
181.06931	1.8
191.08199	1.3
204.07838	1.1
205.06026	0.7
207.11340	0.7
222.08844	11.3
222.12312	5.2
223.10756	1.1
224.14034	5.1
240.13525	5.1
241.13573	1.4
242.11894	3.3
255.78619	0.8
259.14468	1.3
266.11853	10.3
267.12115	1.6
275.10370	2.5
291.10056	1.2
292.09851	1.8
327.13342	1.8
372.19617	0.9
388.18723	1.8
390.52567	0.7
438.16617	1.2
440.21896	1.8
471.84555	0.8
535.25317	5.5
536.26184	1.2
646.28784	100.0
647.29169	20.7
709.26776	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	711.2145
Annotation	Unknow
Peak:m/z	Relative Intensity
51.83307	0.9
57.03323	1.1
59.01249	100.0
60.01580	2.1
69.17390	1.0
71.01248	12.0
71.53832	1.3
72.82491	0.9
73.02811	4.0
83.01244	2.1
85.02819	7.1
89.02283	3.1
91.45331	1.0
98.02499	1.1
98.20561	1.3
99.00760	2.5
101.02325	10.1
101.58453	1.0
111.00752	1.3
113.02325	5.1
119.03411	1.3
121.02860	1.7
159.02907	1.5
161.04471	4.2
181.62654	1.1
230.04648	1.1
269.10306	10.0
311.11215	3.4
320.20535	1.3
345.69516	1.2
607.25879	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	713.1559
Annotation	Unknow
Peak:m/z	Relative Intensity
55.56607	0.6
57.03311	0.8
59.01246	4.1
60.99175	18.2
71.01247	1.0
71.02004	1.1
85.02808	1.9
88.86796	0.7
88.98675	100.0
89.02316	1.1
89.99033	0.9
100.60897	0.6
103.52766	0.7
103.83213	0.6
111.00713	1.0
147.22054	0.6
151.00276	1.0
166.02512	1.0
181.04958	0.8
191.01964	1.7
193.05023	0.8
243.02939	2.5
255.02890	2.0
257.04498	1.0
271.02496	6.2
285.03958	1.2
299.01923	5.6
300.02728	5.1
314.04315	8.0
315.05072	17.1
316.05533	0.9
413.64175	0.8
491.19394	2.5
623.16162	28.0
624.16254	4.4
669.33557	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	716.1467
Annotation	Unknow
Peak:m/z	Relative Intensity
52.69318	1.1
59.01241	5.2
61.98701	96.2
65.07701	1.1
69.32634	8.9
71.01253	2.1
73.02780	1.7
79.26990	1.0
83.01267	1.8
85.02862	1.1
89.02329	1.4
96.95886	4.4
98.19833	2.1
98.20490	2.6
117.69551	1.0
132.02107	1.2
133.02846	1.2
134.03616	2.3
135.04373	1.8
150.06721	2.3
151.00258	4.3
160.01567	4.4
161.02348	4.0
168.15237	1.2
175.03902	4.7
179.03461	1.7
185.25638	1.2
188.45917	1.2
193.05069	2.1
199.03972	3.8
227.03447	3.8
242.02028	1.5
243.02930	19.1
244.03619	2.1
255.02971	11.3
257.04575	1.7
259.06372	1.5
270.01660	1.9
271.02454	29.0
272.03076	3.3
285.04126	3.0
286.04773	2.7
287.05371	1.5
299.01950	38.8
300.02713	27.1
301.03058	1.4
313.03586	2.8
314.04315	30.6
315.05093	52.9
316.05457	3.6
323.07645	9.8
329.06616	4.9
455.56009	1.1
510.35419	1.4
511.36292	1.4
570.17279	1.2
631.53925	1.4
653.15039	100.0
654.15289	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	716.365
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	100.0
60.01603	1.4
61.98704	1.6
69.50954	1.2
69.51354	3.4
78.63585	0.5
87.34404	0.6
89.44952	0.6
118.74690	0.7
130.46590	0.6
136.52223	0.6
143.71815	0.7
146.88730	0.5
148.26247	0.7
179.97632	0.7
185.25870	0.6
201.90108	0.7
328.95471	0.6
344.53922	0.6
356.59485	0.6
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
58.02635	0.2
61.98703	100.0
62.98415	0.3
68.17920	0.2
103.00664	0.2
106.91409	0.2
161.08401	0.2
600.30603	0.2
747.50031	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	719.313
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05069	0.1
57.03323	2.0
59.01249	0.4
67.01755	3.1
67.87108	0.1
68.02113	0.2
69.63528	0.5
69.63937	0.2
71.01239	0.1
83.01265	0.3
85.02829	1.3
87.00749	7.6
101.02329	0.2
111.00763	100.0
112.01096	2.2
112.98680	0.1
116.11388	0.1
129.01833	0.4
154.99762	0.4
173.00827	10.8
174.01210	0.4
191.01981	0.2
253.09251	0.3
266.98337	0.2
290.67340	0.1
291.19659	0.4
309.20755	1.0
391.42487	0.1
410.39597	0.1
463.15561	0.1
507.87842	0.2
545.30011	0.4
719.31409	1.8
720.31934	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	719.3128
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03326	1.7
59.01245	0.4
61.98703	0.3
67.01760	2.3
70.77142	0.2
70.77484	0.2
73.02808	0.1
83.01252	0.2
85.02827	0.4
87.00749	6.9
88.98716	0.2
89.02311	0.1
101.02331	0.3
111.00763	100.0
112.01096	2.4
129.01840	0.1
130.99750	0.2
154.99750	0.3
173.00827	10.8
174.01184	0.2
180.60873	0.1
253.09248	0.1
278.57898	0.1
291.19623	0.5
292.22876	0.1
309.20697	0.9
356.65805	0.1
545.29785	0.4
719.31116	1.4
720.32190	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	719.3136
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03333	1.7
57.52452	0.3
59.01245	0.8
61.98698	0.7
67.01754	2.4
69.69266	1.7
71.01246	0.7
85.02814	0.4
85.36260	0.3
96.95889	0.5
98.20511	0.7
111.00766	100.0
112.01074	2.6
131.77000	0.3
132.47432	0.3
173.00841	7.9
173.02339	0.4
179.91441	0.4
183.88301	0.3
192.13075	0.3
224.43762	0.3
255.23415	0.4
333.90112	0.4
438.94623	0.4
483.27582	0.5
502.81772	0.4
543.52100	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	721.2349
Annotation	Unknow
Peak:m/z	Relative Intensity
50.88000	1.2
57.03328	6.5
59.01250	100.0
61.23032	1.2
71.01249	8.3
73.02798	2.9
83.01244	4.3
85.02828	3.9
89.02317	3.0
96.95883	5.8
98.20662	2.9
101.02328	5.9
107.01283	1.9
109.02853	2.3
113.02320	3.7
119.03366	1.8
123.04357	3.0
125.02339	54.7
139.03902	1.3
147.04501	1.4
150.03091	2.7
151.00282	8.8
151.03917	2.7
152.01016	4.1
153.01846	7.2
158.38512	1.1
161.04411	2.5
165.05496	1.5
165.23579	1.1
174.03107	1.7
175.03912	7.6
177.01852	10.6
178.99780	6.6
179.05534	1.6
181.01306	2.8
188.04681	1.5
189.05475	2.1
199.03899	3.7
201.01851	1.6
217.04985	4.9
229.47523	1.3
231.06291	1.4
241.05026	4.0
259.06033	2.0
275.05524	2.4
285.04031	37.7
286.04391	2.7
303.05103	37.7
304.05386	1.9
331.17664	3.9
343.18082	1.4
373.18579	5.2
671.98932	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	725.2666
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	24.1
61.98700	2.8
64.43656	1.2
66.86440	1.2
69.20836	1.6
71.01248	10.8
71.53392	1.7
73.02834	4.8
85.02827	7.1
87.00759	2.0
89.02327	7.8
97.02853	1.4
101.02314	11.7
103.03890	8.2
108.02078	2.1
111.00732	1.7
119.03418	2.8
121.02816	2.8
125.02313	6.9
127.03876	1.8
129.01802	1.3
143.03502	2.1
145.04984	2.4
160.49971	1.4
163.06047	8.7
175.03899	6.9
190.02657	1.5
190.06279	2.8
193.04993	2.2
197.93599	1.4
205.05240	1.6
222.05273	3.2
227.92339	1.3
235.07462	1.6
239.07030	1.8
247.08066	1.8
251.07034	2.8
253.08720	3.6
262.06177	1.9
263.07156	3.8
265.08432	1.5
269.08307	7.6
278.09308	1.9
279.06711	4.3
281.08157	11.8
282.08795	2.5
283.09671	3.0
291.06369	1.7
292.07190	2.1
293.08127	5.5
294.09131	7.8
296.10513	4.0
297.07715	29.7
297.11090	3.3
298.07916	2.5
307.10263	6.4
308.10666	4.0
309.07700	47.4
309.11322	14.9
310.08023	4.6
312.06467	2.4
312.10028	31.8
313.10400	2.6
323.09283	16.6
324.10004	36.7
325.10251	3.5
327.12381	100.0
328.12720	12.0
339.12378	96.8
340.12659	7.5
357.13437	3.6
524.21881	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	725.2878
Annotation	Unknow
Peak:m/z	Relative Intensity
52.41206	3.7
55.17261	3.5
58.00458	7.0
59.01257	88.0
61.06924	4.3
69.24249	22.9
69.24654	7.9
71.01252	65.3
72.99182	6.5
83.01258	5.2
85.02831	12.1
87.00738	5.4
89.02309	50.9
95.01246	6.1
99.04375	6.0
101.02309	33.3
113.02340	21.8
119.03401	22.3
125.02264	4.2
151.06004	17.4
161.04475	6.5
161.13261	18.4
173.10504	4.3
179.05560	10.2
187.11186	40.1
201.12708	5.3
203.14287	4.6
205.12202	23.0
229.12216	13.1
247.13356	4.2
249.11298	10.0
291.12341	3.9
293.85181	3.9
309.27151	4.3
313.11420	29.1
545.22388	100.0
546.22693	12.1
705.47308	4.3
725.28729	82.8
726.28113	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	729.4066
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01763	0.5
57.03334	0.6
59.01250	100.0
60.01575	1.1
60.10867	0.5
60.80907	0.4
61.60192	0.5
71.01251	11.1
71.53263	0.4
73.02812	3.5
78.95783	0.7
83.01280	1.3
85.02819	5.5
87.00729	0.7
89.02336	1.3
95.01285	0.9
97.02843	0.5
98.53057	0.4
99.00780	1.2
101.02322	6.3
103.09335	0.4
113.02330	4.5
119.03377	0.6
125.02338	0.7
143.00958	0.6
159.03009	0.5
161.04482	3.6
161.96252	0.4
167.19670	0.4
203.05591	0.6
223.25966	0.5
266.90302	0.5
315.18124	10.5
315.21704	0.7
316.18442	0.7
327.21753	2.9
357.19391	2.9
359.55786	0.5
401.14105	0.6
470.85413	0.5
473.95734	0.5
735.06653	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	733.2931
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01754	3.8
59.01252	100.0
61.98692	11.3
69.03313	3.6
70.67143	6.4
71.01249	32.5
73.02802	7.1
85.02859	16.1
87.00714	4.6
87.44725	3.0
89.02315	8.6
96.95909	3.1
99.00782	4.4
101.02301	16.7
113.02335	24.1
119.03388	5.4
124.01508	4.6
125.02290	5.0
143.03362	5.8
144.53232	3.0
264.33521	3.4
290.98624	3.6
445.18509	3.7
471.36807	2.8
525.26825	15.4
526.27301	4.7
543.28119	54.4
544.28418	9.9
561.28882	16.3
562.29474	4.1
585.29230	4.4
603.30206	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	738.3557
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01243	0.2
61.98706	100.0
94.05615	0.2
116.96278	0.2
229.31030	0.2
277.21869	0.2
278.22141	0.2
371.31354	0.2
399.14139	0.3
760.20648	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	738.3555
Annotation	Unknow
Peak:m/z	Relative Intensity
55.36417	0.2
61.98704	100.0
62.98405	0.2
62.99085	0.1
71.51988	0.3
99.24410	0.1
160.39735	0.2
277.21594	0.2
279.23203	0.2
288.01221	0.1
292.26288	0.2
323.27197	0.1
370.75485	0.1
409.73169	0.2
521.09546	0.2
535.74432	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	738.5082
Annotation	PE(18:2(6Z,9Z)/18:2(6Z,9Z))
Peak:m/z	Relative Intensity
59.01253	8.9
60.45580	1.3
61.98688	3.7
71.10397	2.0
78.95781	14.6
81.47054	1.5
103.78738	1.6
103.91905	2.4
118.71867	1.5
120.82421	1.5
132.38783	1.7
134.89410	1.7
143.99013	1.6
152.99460	11.8
158.41344	1.3
159.66626	1.5
193.86000	1.5
208.92928	1.7
260.91519	2.0
277.21851	2.2
278.92465	1.8
279.23297	100.0
280.23651	10.5
281.24637	1.7
322.91327	2.1
419.73685	1.6
458.26752	3.3
478.86719	3.4
680.21118	1.7
715.87152	1.7
738.50732	42.9
739.50836	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	739.4118
Annotation	Unknow
Peak:m/z	Relative Intensity
56.84406	3.9
59.01252	38.9
59.21805	4.0
61.98705	12.5
69.27411	32.9
71.01250	24.3
73.02821	5.5
73.74168	4.8
78.95786	9.5
85.02811	7.2
86.80611	3.9
87.00757	10.5
87.62270	4.1
89.02325	26.3
92.30411	4.6
92.43218	4.0
95.48109	4.5
101.02326	20.1
113.02340	11.3
119.03449	6.2
125.02345	10.9
127.06042	4.2
131.45786	3.9
131.86449	4.2
152.99522	4.7
215.04396	5.6
225.68945	5.2
235.08214	12.0
260.88223	4.5
263.07318	4.5
279.23331	8.5
280.23856	4.7
281.24854	100.0
282.25208	11.3
397.13513	95.8
398.13791	9.1
415.14740	27.7
416.14816	5.4
739.42804	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	740.3709
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98702	100.0
62.98402	0.2
71.01297	0.2
98.20171	0.8
115.24760	0.1
168.14552	0.1
279.23175	0.2
327.54285	0.2
399.13885	0.2
464.48608	0.1
488.39267	0.2
565.75604	0.1
722.42725	0.2
732.15216	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	740.3712
Annotation	Unknow
Peak:m/z	Relative Intensity
60.87553	0.2
61.98704	100.0
69.20578	0.4
69.20986	1.5
90.20276	0.2
94.97779	0.2
98.06382	0.2
117.91595	0.2
139.76622	0.2
149.56351	0.2
163.04021	0.2
229.26657	0.2
677.76611	0.2
685.47211	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	740.4932
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01268	0.3
61.98703	100.0
62.98423	0.1
65.36057	0.1
81.46056	0.1
83.04878	0.2
97.76507	0.1
105.80815	0.1
146.49625	0.2
152.85147	0.1
178.21260	0.2
229.66310	0.2
240.16609	0.1
320.05664	0.2
603.30109	0.2
628.95953	0.1
677.48694	0.2
678.49927	0.2
679.50861	0.5
680.50500	0.9
740.49097	1.4
741.50110	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	741.146
Annotation	Unknow
Peak:m/z	Relative Intensity
52.97482	0.3
59.01240	0.6
61.98707	8.2
63.99114	0.3
69.82518	1.5
76.80382	0.4
77.03824	2.5
91.12730	0.3
106.49060	0.3
108.66782	0.3
111.51939	0.3
121.02840	100.0
122.03191	3.3
137.02354	0.5
158.82605	0.3
165.01840	71.9
166.02177	2.3
180.05753	0.4
181.06517	2.4
191.03392	1.4
225.05501	1.4
232.20897	0.3
246.77248	0.3
268.13470	0.3
313.07138	1.5
314.16644	0.4
357.06168	10.0
358.06485	0.7
386.86926	0.3
408.98996	0.4
440.91080	0.3
549.10394	0.5
593.24182	0.3
741.14703	5.6
742.15076	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	741.1892
Annotation	Unknow
Peak:m/z	Relative Intensity
59.07266	1.2
70.29385	5.6
71.01260	12.3
98.20033	3.4
115.00275	30.8
133.01334	100.0
134.03630	3.2
135.04439	23.8
136.76447	1.2
173.59467	1.4
179.03447	27.8
207.69434	1.7
272.77637	1.5
295.04584	2.4
325.50943	1.6
371.74014	1.6
400.04028	1.5
610.66565	1.8
675.06000	1.5
687.75726	1.6
706.48480	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	741.2614
Annotation	Unknow
Peak:m/z	Relative Intensity
57.63308	0.4
59.01237	2.9
59.94108	0.5
61.93227	0.5
67.30521	0.4
69.55289	2.7
71.01258	1.9
73.84180	0.4
83.49114	0.5
85.02805	0.6
98.19839	0.5
101.02324	0.8
107.09220	0.4
109.02846	2.0
113.02305	0.9
121.02853	0.5
123.00773	1.6
125.02379	1.0
137.02344	6.9
139.00267	0.6
139.03914	0.6
149.02321	0.7
151.00264	12.1
151.03912	0.8
152.01051	0.8
152.04677	1.5
161.02280	0.5
161.04404	1.0
164.04768	0.6
165.01848	0.6
166.02629	42.6
167.03233	2.9
175.03896	0.7
177.01816	2.1
181.04985	61.4
182.05362	3.0
192.04137	0.8
193.05000	0.7
195.02916	0.5
205.08612	0.7
207.06496	0.9
233.75027	0.4
239.22385	0.5
280.76434	0.5
297.49533	0.5
357.10065	0.6
359.11179	1.3
387.10843	10.1
388.11353	1.0
402.13174	6.2
403.13562	1.4
417.15527	100.0
418.15829	13.0
557.94794	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	741.2977
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00490	1.3
59.01250	100.0
60.01582	1.1
69.45518	6.2
69.91809	1.0
71.01250	17.8
72.99173	1.4
73.02811	4.5
83.01273	1.7
85.02824	7.1
87.00739	1.2
89.02318	7.0
95.01242	1.1
99.00738	1.9
101.02325	12.8
113.02315	7.8
114.05461	1.0
119.03365	2.6
122.59140	1.1
130.91986	1.2
143.03387	1.2
160.03256	0.9
161.04453	5.3
161.24092	0.9
164.90952	1.2
179.05518	3.7
198.99181	0.9
269.10300	8.3
311.11505	5.5
327.40045	1.2
598.63062	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	742.387
Annotation	Unknow
Peak:m/z	Relative Intensity
57.98342	0.2
61.98703	100.0
70.18784	0.7
70.19128	0.2
71.97888	0.2
78.95792	0.4
90.78843	0.2
95.78465	0.2
102.34686	0.2
123.65002	0.3
152.99513	0.3
167.35312	0.2
237.54672	0.2
277.21744	0.4
278.22137	0.3
282.25302	0.4
325.82269	0.2
399.14056	0.2
506.26282	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	742.387
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01236	0.4
61.98702	100.0
70.21767	0.6
70.22131	0.5
81.84335	0.3
89.82792	0.2
96.08997	0.3
99.08118	0.3
104.95403	0.3
105.34406	0.2
111.60632	0.2
152.44975	0.3
208.80324	0.3
220.57051	0.3
399.14111	0.4
527.41187	0.3
686.17114	0.3
702.17456	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	743.2775
Annotation	Unknow
Peak:m/z	Relative Intensity
55.36177	1.3
59.01252	28.7
61.98709	12.8
66.47268	1.3
71.01254	21.7
71.24628	1.5
71.32790	2.0
72.99177	2.7
73.02794	2.6
75.00735	1.4
82.30977	1.6
83.01268	1.4
85.02834	5.9
87.00773	1.8
87.04387	2.1
89.02315	16.4
95.04926	1.6
97.02830	2.1
101.02325	12.8
110.44794	1.2
111.00668	1.4
113.02351	8.9
119.03386	8.6
121.02850	2.3
123.04451	1.9
125.02326	1.2
129.01855	1.3
131.03401	1.4
133.02846	2.8
134.03635	61.5
134.04655	3.0
135.03961	1.5
137.02354	11.2
137.06004	2.2
139.03932	2.9
143.03345	1.9
149.02357	2.5
149.05991	19.1
150.03108	2.9
159.80257	1.5
161.04460	2.2
163.11195	2.9
165.05467	4.3
178.02631	41.7
179.03363	2.0
179.05496	7.5
181.12268	4.1
193.04988	100.0
194.05376	3.7
195.06606	2.1
205.12390	1.4
223.13213	1.4
225.11256	19.1
231.10165	3.6
249.11293	6.4
263.12845	1.5
267.12329	2.7
291.12369	11.5
309.13376	3.7
327.51797	1.3
369.15521	11.0
370.16110	1.3
370.53375	1.5
549.22162	8.4
563.21332	33.0
564.21887	3.2
620.84387	1.4
699.38104	1.6
743.27686	28.3
744.27740	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	743.3711
Annotation	Unknow
Peak:m/z	Relative Intensity
53.82005	1.3
60.99181	14.9
61.98709	2.1
70.10111	3.6
87.00755	1.7
88.00292	3.1
88.98677	100.0
89.02316	14.4
89.98954	1.0
98.19821	1.2
101.62640	1.1
121.70571	0.9
187.76920	1.0
300.90622	1.2
311.16797	1.3
315.83420	1.0
538.51605	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	745.2721
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	16.7
61.81885	1.8
61.98708	16.1
64.34238	2.0
69.22559	7.1
69.22987	7.9
71.01264	9.8
89.02319	9.0
93.03356	5.6
93.50919	1.5
96.95915	4.1
98.20583	3.1
101.02347	5.6
108.02042	4.4
109.02865	3.2
113.02367	4.1
119.03389	4.0
120.01153	8.4
121.02835	13.8
122.03645	16.5
133.02924	2.8
134.03586	2.5
135.04417	6.2
135.05414	1.8
136.01561	19.7
136.05231	2.1
137.02338	5.7
149.02350	33.4
150.03128	100.0
151.00267	3.8
151.03920	23.6
152.01106	3.5
154.02623	2.2
158.53986	1.8
163.03827	2.9
164.04715	7.3
165.05489	91.2
166.02641	13.2
166.05826	3.3
167.03436	3.5
175.03931	6.0
180.04228	5.6
181.04979	20.0
189.05472	5.3
190.06322	7.1
195.06558	68.1
196.06847	3.3
198.00461	1.9
310.08160	1.9
325.10779	2.1
329.10403	2.1
339.08685	1.9
342.10974	3.1
357.09668	5.5
357.13486	10.9
369.13568	4.3
372.12335	3.5
387.14447	48.6
388.14767	6.2
421.05591	7.5
436.07916	6.5
437.08624	3.4
497.34763	2.3
505.18604	3.2
531.68561	2.1
535.19714	62.7
536.20178	13.2
553.20630	3.3
565.20728	2.8
583.21765	33.7
584.22119	7.2
654.15112	1.9
701.26978	4.9
745.20410	7.4
746.20013	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	746.4613
Annotation	Unknow
Peak:m/z	Relative Intensity
56.07695	7.7
63.56738	8.6
68.99458	8.4
69.39568	29.4
69.39994	40.0
69.48793	9.9
72.16633	8.0
78.95777	49.0
98.19794	11.8
98.98742	8.3
111.81361	8.9
112.15597	8.3
140.01108	8.3
145.75958	9.0
147.65193	7.9
152.99518	11.5
196.03740	13.2
255.23323	30.8
265.74509	9.5
267.19717	66.2
275.16711	12.9
293.17676	36.3
311.18637	34.9
321.48764	9.2
490.22180	16.9
530.18896	9.3
596.62164	9.4
733.86365	9.5
746.46021	100.0
747.46429	31.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	749.3601
Annotation	Unknow
Peak:m/z	Relative Intensity
57.00385	2.0
59.01255	22.2
63.16074	2.3
71.01264	17.4
71.53255	2.7
83.01276	2.6
85.02829	3.2
87.00768	3.1
89.02316	12.4
97.02872	4.5
97.18389	2.1
101.02328	14.1
110.78920	2.0
113.02325	5.3
119.03396	5.1
125.02316	7.2
131.55209	2.1
141.10599	2.2
151.79492	2.1
161.04488	2.4
165.12808	17.8
179.05489	3.3
235.08215	6.1
241.77296	2.1
242.35475	2.5
247.20645	8.8
253.09261	3.1
273.18652	5.4
291.19696	100.0
292.19937	9.3
305.08649	3.4
341.64090	2.2
352.53040	2.8
397.13477	49.4
398.13882	3.9
415.14560	24.0
488.52954	2.9
689.34760	2.6
711.12347	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	751.3033
Annotation	Unknow
Peak:m/z	Relative Intensity
52.40362	0.6
55.01760	2.1
57.03323	2.8
58.00458	1.8
59.01252	100.0
59.69455	0.7
60.01581	1.2
61.98686	3.6
62.67327	0.7
69.03320	3.3
69.74365	1.5
69.74757	1.7
71.01254	45.3
72.01609	0.9
72.99189	2.9
73.02821	9.9
74.89089	0.7
75.00771	0.7
81.03335	1.1
83.01252	6.6
85.02820	18.2
85.99974	0.8
87.00739	5.3
87.04408	2.0
89.02316	14.7
91.87054	0.8
94.23032	0.7
95.01258	4.6
96.95895	1.4
97.02873	3.7
99.00745	5.6
101.02324	20.7
102.02639	1.0
104.16283	0.8
111.00797	3.4
111.61290	0.7
113.02333	26.7
119.03422	2.6
124.01582	1.6
125.02332	7.0
128.98219	0.7
129.01865	1.2
134.03699	1.6
143.03395	4.3
149.78067	0.8
159.02991	2.0
161.04469	6.1
179.05548	1.3
193.05048	2.4
239.16699	0.9
296.20078	0.8
315.24548	0.8
399.23962	5.5
417.25073	4.4
418.25632	1.2
427.51697	0.8
469.24716	0.9
525.27100	1.8
543.28113	35.2
544.28180	5.5
561.29169	65.9
562.29620	11.2
579.30243	19.2
580.31201	2.9
603.30225	18.8
603.39130	1.6
604.30774	2.1
621.31219	24.9
622.31903	5.0
663.32672	2.3
683.19263	0.9
747.77362	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	751.3752
Annotation	Unknow
Peak:m/z	Relative Intensity
56.37391	0.2
57.47684	0.2
59.01254	1.4
61.98680	0.4
64.99672	0.3
70.73186	0.4
70.73526	0.5
71.01254	1.0
72.99177	2.6
75.00745	100.0
76.01072	1.6
85.02808	0.5
89.02334	1.2
101.02324	1.0
104.22355	0.2
113.02298	0.2
119.03293	0.3
125.02366	0.4
143.03407	0.4
155.63635	0.2
235.08253	0.4
277.21719	3.1
278.22144	0.3
299.31903	0.2
397.13531	5.7
397.60736	0.2
415.14676	1.7
508.39627	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	751.3753
Annotation	Unknow
Peak:m/z	Relative Intensity
56.73613	0.2
59.01262	1.2
61.98680	0.2
71.01248	1.2
72.99187	2.3
73.02834	0.2
75.00750	100.0
76.01086	1.0
81.66941	0.2
81.85046	0.2
87.00732	0.2
89.02332	0.8
97.02848	0.2
101.02312	1.0
113.02342	0.4
119.03394	0.3
125.02350	0.4
151.68507	0.2
177.51447	0.2
179.05527	0.3
196.71713	0.2
235.08258	0.8
239.62448	0.2
249.07802	0.2
272.54816	0.2
277.21713	3.5
278.22131	0.3
305.08789	0.2
329.18881	0.2
350.87299	0.2
397.13489	6.9
397.18561	0.4
398.13971	0.6
415.14606	2.2
617.84369	0.2
700.76605	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	751.3758
Annotation	Unknow
Peak:m/z	Relative Intensity
52.77651	0.9
57.03331	1.7
59.01254	39.7
61.98697	3.9
71.01254	17.2
72.99193	1.3
73.02811	4.9
75.00736	1.0
82.28988	1.0
82.49330	1.0
83.01268	2.9
85.02813	9.2
87.00725	1.1
89.02338	5.9
95.01270	1.7
96.95906	1.1
97.02834	1.2
99.00751	1.7
101.02332	9.1
111.00729	1.0
113.02335	8.8
116.35474	0.9
119.03393	1.6
127.24239	0.9
132.48503	1.0
135.04230	1.0
143.03397	1.2
144.39218	0.8
161.04474	2.0
179.05490	1.0
185.15416	1.2
203.55533	1.2
212.65913	1.0
263.76901	1.0
267.81342	0.9
291.22174	1.0
496.51389	0.9
503.32489	3.3
527.32526	1.1
530.41028	1.0
534.26343	1.0
545.33307	100.0
546.33667	14.7
579.05664	1.0
646.04602	1.1
763.24469	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	751.389
Annotation	Unknow
Peak:m/z	Relative Intensity
52.66853	2.4
54.13428	1.9
57.03327	2.4
59.01247	25.6
60.06361	2.0
61.46164	2.1
61.98703	6.0
71.01260	11.3
71.52917	2.8
72.99212	2.7
89.02286	2.3
89.82254	2.2
97.02824	8.9
101.02329	5.8
113.02334	3.4
137.09642	5.4
143.59727	2.4
163.11137	2.4
165.12737	19.7
179.10565	2.4
193.08376	21.7
200.47234	2.2
207.09943	16.1
219.09996	5.3
221.11562	7.9
231.09950	7.3
233.11543	90.6
234.11838	5.4
249.11090	14.8
251.12869	20.0
261.11090	20.3
262.11365	2.5
313.17831	4.6
331.18759	8.6
349.19922	100.0
350.20407	13.4
417.24512	2.4
459.26120	2.8
503.32477	11.5
504.33035	2.9
545.33417	6.7
707.40234	6.1
759.87878	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	752.3345
Annotation	Unknow
Peak:m/z	Relative Intensity
52.34784	0.4
59.01239	0.7
61.98703	100.0
62.90158	0.4
71.01268	0.5
71.53480	0.8
74.94617	0.4
80.52896	0.4
95.16375	0.6
106.20653	0.5
126.95862	0.4
166.76321	0.5
173.30528	0.5
196.52284	0.5
232.98972	0.5
291.19745	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	753.3914
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	1.2
59.23040	0.2
71.01236	1.0
71.53591	0.2
72.99174	2.3
75.00744	100.0
76.01075	1.1
89.02331	1.0
99.70702	0.2
101.02351	0.9
113.02319	0.4
119.03383	0.3
125.02345	0.5
161.04544	0.2
179.05486	0.4
235.08252	0.8
235.10413	0.1
279.23254	3.3
280.23605	0.3
305.08963	0.2
331.82941	0.1
339.58289	0.2
364.46835	0.2
397.13501	6.0
398.14041	0.7
415.14526	1.8
677.36926	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	753.5135
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	1.4
60.74379	0.3
61.98704	10.9
71.01250	0.6
71.47076	0.3
72.95531	0.3
72.99182	4.0
75.00748	100.0
76.00278	0.6
76.01089	1.2
81.03326	1.1
83.04899	3.4
85.02799	0.3
89.02325	0.4
96.95915	0.2
98.02384	0.5
191.91296	0.3
197.56384	0.3
207.14732	0.3
224.17595	0.8
225.16093	2.1
321.24777	0.3
340.26413	0.6
348.63699	0.3
369.94098	0.3
450.34491	0.5
451.32953	1.0
452.33173	0.3
559.40070	0.6
675.47797	1.8
676.48621	0.5
677.49634	5.4
678.50592	1.5
691.47809	0.5
692.48138	0.5
693.49152	19.0
694.49579	3.7
753.36615	0.5
753.50977	0.9
754.49695	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	754.35
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01240	0.8
61.98705	100.0
63.00781	0.6
65.36774	0.6
65.37190	0.6
71.27873	0.7
71.53340	0.9
88.55245	0.6
93.89163	0.6
123.20485	0.6
407.03625	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	755.2042
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	0.5
62.85539	0.4
63.02267	2.6
65.00201	1.4
70.44717	1.1
83.01256	2.2
91.01758	0.5
93.03336	0.9
95.01251	0.7
107.01271	5.1
108.39326	0.4
123.04401	0.4
132.02127	0.4
135.00790	0.8
143.04883	0.6
145.02879	0.4
151.00279	11.7
153.01854	0.5
159.04488	0.5
163.00272	2.1
164.01064	1.0
169.01373	2.8
183.04558	0.9
185.05997	1.0
187.03926	1.3
198.03188	0.5
199.03918	0.9
201.05585	0.5
211.03908	1.5
213.05566	1.4
225.05690	0.4
227.03450	11.2
229.05032	6.0
239.03439	1.0
240.04176	0.4
241.04988	1.6
255.02980	36.4
256.03467	4.2
257.04559	7.5
258.04773	0.6
267.02863	0.6
267.61020	0.5
283.02496	20.3
284.03244	36.4
285.04037	100.0
286.01257	0.5
286.04395	8.6
298.05127	0.4
327.05023	2.4
446.08505	0.5
447.09320	16.9
448.09601	2.3
452.96078	0.4
593.15106	84.8
594.15424	14.6
755.20239	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	757.2927
Annotation	Unknow
Peak:m/z	Relative Intensity
55.73310	2.0
59.01251	9.5
61.79065	1.7
66.05007	1.8
69.20812	1.6
69.85532	1.8
71.01257	8.5
71.50050	2.0
71.52965	2.4
71.53345	2.4
72.99184	2.4
75.00744	11.4
85.02823	10.7
86.28999	1.8
87.00772	3.2
87.76448	1.8
87.96492	1.9
95.01218	2.7
99.00768	4.7
106.93465	1.7
113.01662	2.2
113.02315	13.3
115.00242	2.1
117.01859	2.1
121.02840	47.6
122.03220	2.1
129.01854	2.7
129.67093	1.7
132.94827	1.7
148.94829	1.7
168.96385	1.8
231.04977	3.3
236.09235	1.9
249.06149	33.9
250.06496	2.4
285.04587	1.9
371.09824	100.0
372.10306	9.5
382.55542	2.2
403.17682	1.8
426.73700	2.9
448.08939	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	763.339
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01769	1.5
57.03315	2.2
59.01251	39.5
61.98671	0.8
63.03686	0.7
70.68330	1.3
70.68674	1.6
71.01254	22.7
71.04876	0.9
72.99197	1.3
73.02827	5.4
78.79131	0.8
83.01253	2.9
85.02824	12.1
85.99963	1.1
87.00756	1.2
89.02318	4.9
95.01260	3.6
96.95865	1.3
99.00737	2.1
101.02319	15.3
113.02324	10.9
161.04471	2.5
196.02177	0.7
380.32379	1.0
421.07651	1.4
497.27792	1.3
515.28479	3.8
557.29645	100.0
558.30023	18.0
581.29761	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	765.3547
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	0.4
60.99174	17.9
62.21594	0.3
63.34158	0.3
70.74054	0.7
71.75001	0.3
79.67374	0.3
87.00730	1.3
87.14308	0.2
88.00254	3.2
88.98674	100.0
89.02311	13.9
89.99014	0.9
101.02280	0.3
159.38359	0.3
277.21765	0.6
397.13553	0.9
516.74017	0.3
591.43079	0.4
728.72858	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	765.3548
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	0.3
60.99178	18.3
66.17691	0.1
71.01262	0.4
71.08458	0.3
87.00769	1.5
88.00275	3.4
88.98679	100.0
89.02315	13.4
89.99017	1.0
101.02345	0.2
102.59590	0.1
126.03047	0.2
139.66876	0.2
162.53079	0.2
184.21811	0.2
222.58252	0.2
241.04073	0.2
241.53645	0.2
263.67743	0.2
267.65393	0.2
277.21747	0.9
318.58765	0.2
397.13434	1.3
398.13989	0.2
415.14432	0.3
457.06775	0.2
491.13315	0.2
500.15649	0.2
764.76233	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	765.3558
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01759	3.2
57.03334	5.0
58.00475	1.4
59.01256	76.3
60.01572	1.4
61.98716	5.9
70.10255	1.7
70.29752	4.6
71.01258	44.7
72.16685	1.2
72.99173	3.0
73.02824	12.1
73.65804	1.2
75.00787	1.4
79.02911	1.5
83.01254	9.5
85.02827	22.6
87.00745	3.0
89.02324	11.3
95.01289	4.3
98.20485	1.7
99.00771	4.2
101.02333	24.7
111.00775	3.1
113.02342	21.6
119.03442	3.6
125.02332	3.0
130.23976	1.2
135.04391	2.6
143.03412	2.4
151.00307	3.1
159.02974	1.7
161.04483	3.6
213.18622	2.1
222.34677	1.4
225.18730	1.3
248.77376	1.4
287.05646	1.6
294.24768	1.4
312.42593	1.3
364.09830	1.4
375.23706	2.0
455.30322	3.8
473.31259	5.0
517.30823	2.4
543.32013	7.5
559.31018	7.0
580.25427	1.6
617.35358	26.7
618.35425	4.5
635.36401	23.2
636.37103	2.6
661.34528	1.7
721.36523	100.0
722.36761	18.5
769.65717	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	767.3704
Annotation	Unknow
Peak:m/z	Relative Intensity
54.43913	0.5
55.26470	0.5
56.79221	0.5
60.99176	18.3
65.59616	0.6
69.57281	0.5
69.81304	0.9
69.81703	1.6
87.00770	0.6
88.00275	4.1
88.98676	100.0
89.02316	12.3
139.21039	0.5
145.07733	0.5
149.49644	0.5
149.78204	0.6
193.27756	0.5
226.44344	0.7
387.88998	0.7
397.13199	0.8
433.73132	0.5
442.87567	0.5
444.78842	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	767.3713
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01765	0.7
57.03314	1.8
58.00481	0.9
59.01256	55.1
61.98694	1.7
62.09980	0.6
70.08363	2.5
71.01260	20.8
72.99168	1.0
73.02834	5.4
83.01267	3.1
85.02827	10.0
85.99954	0.8
87.00727	2.0
87.17628	0.6
89.02323	8.2
95.01249	2.3
96.95916	0.7
97.02862	0.8
99.00749	1.7
101.02327	10.4
111.00745	1.3
113.02341	6.6
119.03378	3.0
131.03416	0.9
138.50250	0.6
159.02933	1.2
161.04453	2.0
179.05585	1.4
191.13222	0.6
197.15390	0.7
243.86488	0.7
288.03076	0.6
313.27435	0.8
321.24380	1.7
353.17065	0.8
475.32703	1.3
483.29910	2.1
501.30838	4.3
502.30823	1.0
519.31531	5.9
520.31946	1.1
543.31793	3.9
561.32813	100.0
562.33215	13.6
616.35052	0.7
619.36377	0.7
654.93958	0.8
723.37836	3.4
765.12476	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	767.3712
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01763	3.6
57.03325	4.6
57.92613	1.7
58.00479	1.9
59.01255	100.0
61.98697	9.5
66.91850	1.9
71.01259	52.7
71.53725	2.0
72.09587	1.5
72.99191	4.1
73.02817	13.4
83.01263	6.1
85.02828	23.6
87.00754	4.2
89.02324	13.9
95.01263	5.1
96.95901	2.8
99.00755	5.0
99.04392	4.7
101.02334	28.6
109.61295	2.2
111.00783	5.0
113.02322	23.2
113.95371	1.7
119.03383	4.9
125.02323	2.8
129.01843	1.8
131.03416	1.7
134.03662	5.0
135.58934	1.8
137.65643	1.8
143.03346	2.3
159.02835	3.0
161.04491	4.2
178.02545	2.0
179.05521	2.5
186.61285	1.9
193.04977	7.5
197.15160	1.6
213.18448	2.0
216.36691	2.2
222.89806	2.0
457.31839	3.2
469.41556	2.4
475.32520	5.4
519.31683	6.4
543.31445	4.8
545.33319	3.6
561.24420	3.9
561.32855	69.5
562.33582	11.2
619.37061	15.1
620.36969	3.6
637.37927	14.0
638.38678	2.5
663.35828	3.0
681.37244	2.3
723.38159	91.1
724.38361	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	767.4913
Annotation	Unknow
Peak:m/z	Relative Intensity
56.56277	0.2
59.01252	1.6
60.99177	17.1
61.98712	0.3
71.01248	0.8
71.69550	0.2
72.99188	1.2
73.02831	0.2
75.00751	0.5
75.47811	0.2
81.03331	0.5
83.04897	1.3
85.02839	0.3
86.02319	0.2
87.00753	1.4
88.00275	5.7
88.01086	0.3
88.03921	0.2
88.98677	100.0
89.02313	10.6
89.99020	1.0
90.01835	0.6
98.02332	0.2
98.19781	0.4
101.02319	0.5
113.02372	0.2
116.21547	0.2
136.66899	0.2
144.57693	0.2
224.17517	0.2
225.15982	0.9
266.01279	0.2
433.31540	0.2
451.33035	0.5
516.10785	0.2
572.93384	0.2
663.36023	0.4
673.46741	0.8
675.48285	1.6
677.49548	1.8
678.50317	0.5
681.37018	0.4
689.45770	0.4
690.46619	0.3
691.47443	1.4
707.48389	1.2
708.49231	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	769.2196
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02266	1.2
65.00186	1.7
67.55390	0.7
70.73658	2.0
78.48131	0.7
91.36382	0.7
107.01257	2.2
133.42047	0.6
145.02805	1.4
151.00266	9.3
155.04947	1.1
157.02882	1.0
159.04437	1.4
169.01366	1.0
171.04468	1.3
175.03864	1.1
178.99762	2.0
183.04449	1.9
185.02365	0.9
187.03860	1.3
198.03038	1.1
199.03935	9.4
201.01855	1.7
203.03456	1.4
214.02628	1.0
215.03441	3.7
227.03450	9.0
228.03845	1.4
242.02159	6.3
243.02951	36.3
244.03345	2.7
255.00572	1.2
255.02972	14.5
256.03424	1.1
257.04526	3.9
270.01736	7.5
271.02472	42.9
272.02829	4.9
285.04041	8.3
286.01437	0.9
286.04575	4.2
287.02103	1.2
287.05548	1.6
297.00427	0.9
299.01965	83.6
300.02545	14.7
301.03018	1.0
313.03500	5.6
314.04306	74.7
315.04959	17.1
316.05234	1.1
327.42319	0.7
357.06244	0.8
468.87936	0.8
605.15527	1.8
607.12543	0.9
741.18213	1.0
769.21960	100.0
770.22253	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	769.2198
Annotation	Rhamnetin 3-rhamninoside
Peak:m/z	Relative Intensity
59.01244	1.6
60.61782	0.5
63.02267	1.0
63.80391	0.5
65.00191	1.7
65.46511	0.6
65.71956	0.6
66.84507	0.4
69.65864	3.1
70.92601	0.6
71.01251	0.8
83.01258	0.9
107.01275	1.9
121.36739	0.5
123.04377	0.6
125.02376	0.6
129.01837	0.5
133.02838	0.5
142.90559	0.6
145.02824	1.1
147.00710	0.7
151.00275	8.2
152.00810	0.6
153.05524	0.8
155.04887	0.8
167.03407	0.6
167.04897	0.8
171.04440	1.0
178.99777	1.9
183.04477	2.7
185.02380	0.7
187.03917	1.2
199.03935	9.7
201.01904	1.1
203.03328	0.7
211.04015	1.0
215.03447	4.6
227.03445	9.0
231.03050	0.9
242.02165	6.1
243.02960	41.9
244.03375	2.6
255.02959	17.0
255.05740	0.6
256.03326	2.2
257.04550	4.9
270.01694	5.6
271.02478	53.6
272.02890	5.6
277.58783	0.6
285.04037	11.8
286.04721	5.1
287.05557	2.2
299.01962	100.0
300.02588	21.4
301.03088	1.1
313.03522	2.6
314.04306	81.8
315.04990	31.7
316.05402	2.8
357.06192	0.6
388.11758	0.7
403.13934	2.1
409.51047	0.6
769.21948	82.1
770.22351	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	769.3864
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01746	3.7
57.03331	2.4
58.00448	3.0
59.01252	73.8
59.91871	2.0
61.15503	2.2
61.98693	7.4
70.85820	2.0
70.86298	3.5
70.86663	5.1
71.01252	66.3
72.99174	5.8
73.02809	11.0
75.00737	3.5
83.01263	8.1
85.02826	20.0
87.00751	5.4
89.02326	28.3
95.01253	6.3
96.95869	6.0
98.20126	3.7
99.00716	3.8
101.02322	29.0
111.00755	7.5
113.02337	27.5
116.92709	2.4
119.03385	10.0
122.17760	2.2
125.02360	4.4
127.17522	2.4
129.01843	12.2
141.06308	2.1
143.03331	3.0
161.04469	3.6
179.05434	3.9
193.04933	3.1
199.55701	2.3
201.14789	4.9
223.29219	2.7
362.03900	2.1
503.32376	11.9
521.33112	7.1
661.86914	2.8
665.37573	100.0
666.37555	19.2
683.38501	55.3
684.39069	7.4
725.39948	24.4
726.40149	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	770.3453
Annotation	Unknow
Peak:m/z	Relative Intensity
55.31702	0.1
59.01258	0.2
61.98704	100.0
62.98398	0.2
64.36632	0.1
64.36972	0.1
82.39169	0.1
83.81987	0.1
98.19822	0.3
112.67928	0.1
144.11128	0.1
178.76596	0.1
203.05028	0.1
264.85547	0.1
534.19116	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	770.3454
Annotation	Unknow
Peak:m/z	Relative Intensity
54.43259	0.3
59.01247	0.6
61.98704	100.0
69.64360	1.5
71.01257	0.4
72.55048	0.3
73.39782	0.3
78.31017	0.3
85.37749	0.3
94.39348	0.3
95.38696	0.3
96.10094	0.4
96.95898	0.5
98.19857	0.4
152.40347	0.3
152.83504	0.4
175.71077	0.3
175.88812	0.3
319.92047	0.3
351.74765	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	771.2361
Annotation	Unknow
Peak:m/z	Relative Intensity
56.62539	0.4
64.84454	0.3
71.52926	0.3
73.10957	0.4
77.51933	0.4
93.03352	0.6
109.51617	0.4
121.02853	2.8
135.04384	2.3
137.02306	0.4
149.02354	24.7
150.02670	0.9
151.03889	0.5
152.01059	5.0
163.03938	4.4
164.04707	19.2
165.01836	1.6
165.04987	0.9
167.03426	1.2
169.04964	2.1
179.07077	7.9
180.44389	0.4
193.01360	12.3
194.01698	0.8
195.02933	0.4
205.05005	0.6
207.02870	0.5
208.03726	30.8
209.04095	1.0
216.08688	0.4
223.06079	100.0
224.06409	4.4
246.80617	0.4
255.02910	0.4
265.07080	0.5
271.02319	1.1
272.02649	0.6
275.12967	0.3
299.01846	0.7
300.02734	1.8
301.02753	0.7
314.04413	0.7
315.04813	0.5
385.11392	21.4
386.11505	2.2
439.61465	0.4
503.78983	0.4
609.14642	0.8
717.53412	0.5
771.22626	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	771.3076
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	28.7
68.99676	2.6
69.35064	9.2
69.35498	9.9
71.01254	34.3
73.02825	14.7
83.01251	3.0
83.86233	2.5
85.02807	12.9
87.00736	2.6
89.02317	23.2
93.19866	2.3
93.78518	2.5
101.02313	12.1
113.02336	17.5
119.03426	6.4
121.02841	100.0
122.03214	2.9
131.03354	2.9
137.09615	25.7
138.05507	9.8
143.03403	3.0
153.16806	2.5
161.04495	11.7
179.05533	14.4
205.12294	18.5
263.07703	23.7
281.08130	2.8
318.63278	2.4
369.13382	4.3
375.63354	3.3
385.11377	95.1
386.11801	8.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	771.308
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01258	1.9
60.03616	1.1
61.05477	1.0
71.53215	1.6
93.01851	1.4
100.13583	1.1
111.00742	1.2
121.02865	2.6
126.00341	1.1
135.04434	2.3
149.02362	19.9
152.01010	4.8
162.87891	1.2
163.03903	4.7
164.04698	21.7
169.04909	1.2
179.07057	8.4
181.25081	1.5
193.01349	9.8
208.03720	37.0
209.04031	1.7
223.06078	100.0
224.06404	6.1
243.02946	3.3
244.03224	1.7
271.02444	5.2
272.02567	2.0
299.01904	7.2
300.02487	6.0
301.02704	3.8
314.04379	4.5
315.04639	6.0
316.04938	2.9
385.11389	24.7
386.11716	1.9
403.19669	1.2
407.76917	1.2
609.14502	3.8
771.22644	13.6
772.21277	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	771.4027
Annotation	Unknow
Peak:m/z	Relative Intensity
53.68672	0.9
55.01751	3.0
57.03324	4.4
58.00466	2.0
59.01252	66.2
60.01574	1.0
60.21179	0.8
61.98713	2.6
69.03339	1.4
69.99324	1.4
69.99715	2.6
71.01255	48.6
71.04903	1.1
71.19920	0.8
72.99179	3.8
73.02818	10.2
73.03201	1.2
75.00743	1.5
78.91826	0.9
83.01261	5.7
84.94611	1.0
85.02827	22.5
86.00000	1.7
87.00767	3.8
87.04375	0.9
88.98688	1.1
89.02319	16.0
95.01259	6.3
95.81824	1.1
96.95906	1.5
97.02843	1.4
99.00755	4.8
101.02328	24.6
111.00805	3.7
113.02338	21.6
114.02729	1.1
119.03388	5.4
124.01569	1.4
125.02326	3.3
134.03654	1.0
143.03391	3.3
159.02844	1.1
161.04463	2.4
171.13811	1.6
187.13388	0.9
201.14928	1.3
271.01697	0.8
283.90378	0.9
299.00134	0.9
328.48239	0.9
361.29575	9.8
505.33777	6.3
506.33914	1.2
523.35040	8.6
524.35284	1.5
667.39105	100.0
668.39471	18.9
685.40100	46.3
686.28845	1.9
686.40338	11.4
727.41223	28.8
728.41669	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	773.3255
Annotation	Unknow
Peak:m/z	Relative Intensity
59.92183	0.2
61.98694	0.4
63.62999	0.2
70.44296	0.3
71.53434	0.3
78.95768	4.5
79.95608	2.9
94.97974	0.6
96.00792	0.5
96.95885	100.0
96.96774	5.6
98.02351	1.8
121.17222	0.2
127.47831	0.2
176.97945	0.2
337.42883	0.2
413.85843	0.3
435.08218	0.5
453.09421	0.4
603.90155	0.3
713.05591	0.3
713.31128	0.7
733.70593	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	773.3264
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01253	0.4
61.98696	0.5
65.30949	0.2
70.28156	0.8
71.01256	0.6
78.95778	4.3
79.95606	2.6
93.10171	0.3
94.97885	0.3
96.95889	100.0
96.96770	4.7
97.95844	0.3
98.02388	0.3
100.48487	0.3
118.96523	0.2
141.57071	0.3
232.32961	0.3
277.21713	0.5
397.13412	0.7
435.08179	0.4
453.09210	0.7
713.31293	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	775.3418
Annotation	Unknow
Peak:m/z	Relative Intensity
60.28125	0.2
61.98698	0.3
69.95814	0.9
70.15765	0.2
71.01262	0.4
78.95778	4.7
79.95602	3.1
83.65805	0.2
89.08836	0.2
96.95889	100.0
96.96786	6.8
98.02360	0.4
98.20511	0.3
99.06418	0.2
113.05721	0.2
170.40967	0.2
251.60999	0.2
279.23270	0.7
287.92371	0.3
392.83344	0.3
397.13297	0.6
409.18994	0.4
435.08389	0.6
453.09241	0.9
551.80579	0.2
555.19940	0.3
715.32587	1.0
716.33258	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	775.4652
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01235	0.4
61.98697	0.2
71.01247	0.3
71.52969	0.3
73.02820	0.2
77.50677	0.1
78.80334	0.2
78.95781	2.4
79.95608	2.5
83.02354	0.4
83.04888	0.2
96.95889	100.0
96.96770	3.8
97.95837	0.4
98.02362	2.3
98.03465	0.2
103.01965	0.2
109.77535	0.2
113.02340	0.2
134.03537	0.2
150.03137	0.4
157.30518	0.2
165.01884	0.2
165.05434	0.4
195.06493	0.2
227.84158	0.2
267.04657	0.2
569.27295	0.2
647.69360	0.2
675.49054	0.2
716.50897	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	781.35
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01753	4.8
55.08355	1.8
57.03318	2.7
58.00458	2.6
58.14849	1.7
59.01249	81.6
61.98692	4.1
71.01254	42.1
71.53926	3.3
72.99171	4.5
73.02818	10.0
75.00737	3.4
83.01258	6.3
85.02825	18.9
87.00733	4.1
89.02329	21.4
95.01251	4.7
96.95889	3.8
99.00753	5.1
101.02325	27.4
113.02318	19.4
119.03376	6.6
125.02311	4.0
143.03299	2.3
158.87132	1.8
165.05437	3.0
165.06754	2.3
184.85434	2.2
229.18022	4.0
296.06949	2.5
327.25189	3.0
391.23267	2.3
397.04440	2.2
471.29770	4.8
489.30597	6.8
533.29443	5.6
559.31226	2.9
575.30621	14.2
633.34753	20.9
634.34723	3.8
651.36145	14.8
737.35956	100.0
738.36346	22.6
781.34381	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	781.35
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01753	4.8
55.08355	1.8
57.03318	2.7
58.00458	2.6
58.14849	1.7
59.01249	81.6
61.98692	4.1
71.01254	42.1
71.53926	3.3
72.99171	4.5
73.02818	10.0
75.00737	3.4
83.01258	6.3
85.02825	18.9
87.00733	4.1
89.02329	21.4
95.01251	4.7
96.95889	3.8
99.00753	5.1
101.02325	27.4
113.02318	19.4
119.03376	6.6
125.02311	4.0
143.03299	2.3
158.87132	1.8
165.05437	3.0
165.06754	2.3
184.85434	2.2
229.18022	4.0
296.06949	2.5
327.25189	3.0
391.23267	2.3
397.04440	2.2
471.29770	4.8
489.30597	6.8
533.29443	5.6
559.31226	2.9
575.30621	14.2
633.34753	20.9
634.34723	3.8
651.36145	14.8
737.35956	100.0
738.36346	22.6
781.34381	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	781.5107
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	1.2
70.95165	0.5
75.00739	2.3
89.02299	0.5
89.18784	0.5
89.85819	0.5
96.95879	1.0
98.19841	1.4
103.00259	2.9
103.03897	1.2
111.13956	0.5
123.08024	2.3
125.09617	2.4
154.11284	0.5
199.84108	0.5
223.20621	1.2
235.08255	0.7
253.09270	1.7
267.19650	100.0
268.19943	6.2
277.21738	8.5
278.22070	0.9
443.57111	0.6
500.76047	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	783.2713
Annotation	Unknow
Peak:m/z	Relative Intensity
55.77874	0.2
59.01245	0.8
69.23746	1.7
71.01252	0.9
73.02794	0.2
84.02032	0.4
84.03194	0.2
85.02818	0.6
101.02315	0.4
108.90022	0.2
109.02835	1.2
113.02319	0.6
121.02862	0.4
123.00781	1.0
125.02323	0.7
134.03619	0.4
137.02339	5.7
138.03169	0.2
138.31610	0.2
139.00209	0.3
149.02345	0.9
149.05991	0.2
150.03116	0.3
151.00272	9.3
151.03937	0.9
152.00981	0.9
152.04684	1.1
153.05472	0.2
159.04448	0.3
161.04408	0.4
163.03940	0.5
164.04604	0.2
165.01823	0.6
166.02625	34.6
167.03197	2.4
173.02412	0.3
175.03918	0.9
177.01826	1.8
177.05307	0.3
178.02588	0.4
179.03392	0.4
179.07053	0.4
181.04979	44.2
182.05330	1.8
184.03656	0.7
187.90569	0.2
188.04778	0.2
189.05440	0.4
190.06264	0.5
191.03471	0.7
192.04218	0.5
193.04932	1.0
205.04991	0.7
205.08636	0.8
207.06549	0.6
209.04465	0.3
219.06514	0.4
235.06081	0.4
295.08417	0.5
329.03204	0.2
329.10172	0.4
341.10181	0.3
359.11432	1.0
387.10867	7.0
388.11197	0.8
402.13123	6.0
403.13547	0.7
417.15518	100.0
418.15863	12.1
418.21561	0.4
517.79321	0.2
561.19836	1.5
713.84039	0.2
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
61.19275	0.4
71.53295	0.5
77.03829	0.4
77.44466	0.4
79.87440	0.4
100.82160	0.3
108.90083	1.8
117.52622	0.4
120.02167	0.4
121.02845	100.0
122.03187	3.6
136.01521	0.7
136.64516	0.4
165.01842	3.5
180.05774	0.4
181.05055	0.5
181.06496	2.3
191.03436	2.3
209.04495	66.8
210.04855	3.8
225.05499	2.2
278.01489	0.4
312.72342	0.4
313.07138	4.3
314.07565	0.8
357.06073	1.6
393.17410	0.5
401.03766	0.6
401.08783	10.1
402.09015	1.1
535.90625	0.4
785.17566	1.1
786.17755	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	785.1939
Annotation	Kaempferol 3-(2''-(E)-feruloylgalactosyl-(1->4)-glucoside)
Peak:m/z	Relative Intensity
57.03314	1.6
59.01249	15.3
61.98711	4.1
63.02258	4.5
65.00188	1.9
66.36485	1.7
69.29816	2.2
69.30222	9.3
71.01253	10.3
73.02813	1.9
75.00745	1.8
83.01282	5.4
85.02876	2.0
89.02321	3.2
96.95916	1.8
97.19127	1.5
98.19821	3.1
101.02345	6.4
107.01260	9.4
113.02338	3.3
119.03414	1.8
123.00764	1.6
132.02080	2.4
134.03612	4.9
135.00797	1.8
135.04420	2.5
151.00285	21.0
160.01559	7.0
161.02338	5.4
163.00232	2.1
164.01025	3.1
169.01349	6.2
175.03923	9.5
179.03445	3.1
193.05005	3.6
199.04016	1.7
211.03928	2.7
213.05518	2.8
227.03430	18.9
228.03780	1.6
229.05067	5.7
239.03438	1.7
241.04970	1.9
255.02971	50.1
256.03510	6.0
257.04544	10.3
283.02521	13.9
284.03262	62.2
285.04031	100.0
286.04346	9.3
299.05597	5.8
315.25336	1.7
323.07703	2.9
327.05099	2.6
337.09326	6.6
447.09329	42.1
448.09628	3.7
520.87384	1.7
577.32434	3.1
578.32715	5.9
579.32977	3.3
623.14087	71.0
624.14551	13.5
681.37201	3.7
741.38910	3.0
743.00903	1.7
785.19287	6.7
786.19629	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	785.2149
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	0.7
65.00200	0.8
70.55223	1.7
79.67031	0.6
80.23359	0.6
89.02276	0.6
97.84778	0.6
99.49874	0.9
120.63261	0.6
151.00266	3.2
178.99780	1.2
189.94461	0.7
199.03899	2.3
227.03490	2.3
230.09264	0.7
241.01442	0.9
242.02161	9.1
243.02933	8.4
245.00842	2.9
253.73145	0.6
255.02997	4.4
256.03561	0.7
257.04428	1.6
270.01700	13.2
271.02478	14.3
285.04080	6.5
286.04587	1.0
298.01074	2.2
299.01965	27.6
300.02643	5.4
313.03540	24.5
314.04294	37.9
315.04965	9.3
336.12561	0.8
623.16150	100.0
624.16425	14.2
661.00507	0.8
665.19312	0.8
785.22614	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	787.2689
Annotation	Unknow
Peak:m/z	Relative Intensity
69.27189	2.8
69.27610	1.6
71.01234	0.6
121.02836	2.4
135.04405	2.1
139.69862	0.5
149.02351	23.6
150.02707	1.6
152.01056	5.3
163.03931	4.1
164.04700	20.5
165.01837	1.0
165.05026	0.6
167.03389	0.7
169.04974	2.2
179.07066	7.1
193.01355	10.2
194.01628	0.6
208.03728	32.3
209.04073	1.9
223.06081	100.0
224.06435	6.0
226.40797	0.6
270.01752	0.9
271.02277	1.0
272.02805	0.9
299.01968	1.5
300.02332	1.6
312.44897	0.5
313.03668	0.9
314.04123	2.9
315.04572	2.1
316.04825	1.1
385.11404	25.6
386.11731	2.3
401.14288	0.6
470.32883	0.6
618.96045	0.6
623.16406	1.1
624.16541	1.6
625.16821	6.0
691.83112	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	787.2826
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	9.1
59.66561	0.7
61.98705	41.1
71.01247	4.9
73.02835	2.3
75.00745	1.7
83.01254	1.0
84.02060	0.9
85.02829	3.4
89.02323	2.5
93.03347	4.7
96.95869	0.9
101.02308	4.0
102.45407	0.7
108.02063	1.2
109.02839	1.2
113.02335	2.1
115.49973	0.9
119.03368	1.0
120.92559	0.7
121.02841	13.6
122.03641	15.8
123.04427	2.5
124.01569	1.4
125.02327	1.0
132.02115	1.0
133.02863	2.7
134.03610	1.9
135.04410	7.6
136.01559	23.8
136.02559	1.5
137.02374	5.6
146.03702	0.9
147.04436	1.9
149.02350	30.3
149.05876	0.8
150.03133	100.0
151.00273	7.1
151.03925	30.0
152.01019	1.5
152.04315	2.4
154.02641	1.9
160.05202	1.7
161.02318	0.9
161.05888	1.1
163.03911	4.1
164.04726	7.3
165.05484	90.9
166.02621	18.0
166.05774	4.7
167.03392	3.6
172.05174	1.7
174.03250	0.8
175.03853	4.5
177.01840	0.8
177.05479	1.9
180.04216	5.8
181.04974	22.5
189.05501	4.3
190.06259	6.0
190.21483	0.8
195.06555	66.4
196.06955	3.2
205.04976	0.9
221.08139	1.2
239.03435	1.0
266.05728	0.9
281.08057	0.9
282.05240	1.5
286.57095	0.8
297.07678	1.2
315.08737	1.9
325.10745	1.1
329.10251	3.1
341.10104	1.1
341.21332	1.0
342.11111	2.2
343.12054	1.1
356.12555	1.9
357.09695	5.0
357.13483	11.2
372.12234	4.1
373.12933	2.7
386.13718	2.4
387.14493	58.0
388.14774	6.2
416.93173	0.8
490.16394	1.5
491.16412	0.8
505.19049	4.1
535.19714	66.4
536.20111	12.7
553.20654	1.8
563.28894	4.8
565.20813	2.2
583.21844	35.1
584.21918	6.8
743.34723	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	787.2829
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01265	6.2
60.01907	0.8
61.98698	3.8
70.45146	2.0
71.01257	3.3
73.02821	1.0
93.03348	3.4
96.95878	4.6
113.02417	0.9
116.92751	1.2
118.22842	1.0
121.02813	4.7
122.03641	12.4
123.00761	1.3
127.33409	0.8
133.02869	1.8
133.64728	0.9
135.04440	1.1
136.01569	11.2
137.02327	3.2
147.04405	1.1
149.01221	1.5
149.02354	21.3
150.03148	96.8
151.00294	3.6
151.03943	13.8
152.04286	1.2
164.04716	4.2
165.05501	100.0
166.02647	9.0
166.05815	5.7
167.03252	1.2
175.03899	1.5
180.04204	7.8
181.05005	10.6
182.05336	1.0
190.06306	2.5
195.06584	97.8
196.06970	4.1
268.51480	0.9
329.10272	1.2
357.09656	2.6
357.13437	6.5
372.12137	2.7
387.14536	31.9
388.14847	3.5
447.55539	1.1
535.19708	10.8
536.20209	1.1
583.21930	15.4
584.22076	3.2
732.40912	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	787.3757
Annotation	Unknow
Peak:m/z	Relative Intensity
56.48422	1.2
57.03331	2.6
59.01258	18.2
61.98697	2.3
65.72759	1.3
70.29510	5.0
71.01253	9.8
73.02832	1.6
85.02824	4.7
89.02316	6.9
96.68324	1.6
101.02342	5.0
102.83343	1.5
104.90128	1.4
105.95368	1.3
113.02351	4.3
119.03355	2.4
119.08596	1.9
121.52978	1.4
126.59483	1.4
137.09627	16.0
170.82898	1.4
177.12672	2.4
181.05016	1.8
221.11790	2.7
239.12868	27.4
361.11230	1.5
397.61371	1.6
401.18173	100.0
402.18463	9.5
417.15607	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	793.2958
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98664	0.5
73.02811	2.6
75.00764	0.7
80.96349	0.6
99.00744	0.8
99.92463	9.7
100.92493	0.5
103.46664	0.4
114.93282	0.6
116.92746	100.0
116.97141	5.1
117.01833	5.0
117.92767	5.4
138.99879	0.5
150.88049	0.5
471.52438	0.5
647.52795	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	793.2958
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	0.4
61.98700	0.2
67.06596	0.1
71.01244	0.1
71.53531	0.1
73.02814	3.1
75.00749	0.3
89.89517	0.1
99.00741	0.7
99.92455	9.6
100.92470	0.5
114.93305	0.6
116.03433	0.2
116.58527	0.1
116.92741	100.0
116.97108	2.5
117.01815	5.7
117.05495	0.2
117.92751	5.5
163.45976	0.1
174.47736	0.1
335.17642	0.3
397.13339	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	795.3113
Annotation	Unknow
Peak:m/z	Relative Intensity
73.02819	1.6
99.00747	0.4
99.92462	8.2
100.92491	0.8
114.93328	0.7
116.92745	100.0
116.97117	4.2
117.01814	3.0
117.92760	4.6
149.19490	0.4
164.82861	0.4
248.87140	0.5
258.48953	0.4
276.42035	0.4
409.40701	0.5
414.02637	0.5
416.45508	0.4
769.05066	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	795.3994
Annotation	Unknow
Peak:m/z	Relative Intensity
58.63631	1.4
59.01250	100.0
60.01583	2.0
66.37041	1.4
69.96056	1.5
71.01257	2.0
71.53961	1.5
92.08826	1.3
98.20049	1.5
141.01605	53.5
143.03250	1.6
157.32996	1.3
161.99712	1.4
255.23227	5.9
323.42123	1.6
337.23477	3.9
397.13602	9.3
415.14325	3.1
419.11597	3.0
437.12839	2.6
441.11050	1.6
712.35980	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	797.5436
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01233	1.7
61.98694	7.9
62.29702	0.7
69.46960	0.7
71.53821	1.0
73.02833	0.8
76.83999	0.7
78.95779	0.8
89.02336	0.8
91.52701	0.7
92.74290	0.7
96.95895	4.4
99.92464	1.4
116.92745	23.2
116.97111	1.2
117.01810	1.0
117.92758	10.7
118.92513	6.6
118.93324	1.2
118.96799	2.8
119.03344	1.5
119.94584	4.5
169.12170	4.9
170.12431	0.8
171.10133	1.1
265.21732	10.3
266.22232	1.0
277.21701	8.9
278.22018	0.8
279.23151	0.7
281.21310	1.7
283.22791	100.0
283.26312	6.3
284.23163	8.9
316.99710	0.8
399.19034	0.8
476.91040	0.8
542.62885	0.8
738.84412	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	799.2088
Annotation	Isorhamnetin 3-(3'''-ferulylrobinobioside)
Peak:m/z	Relative Intensity
57.81817	0.5
59.01245	2.0
63.02270	1.2
63.97041	0.5
65.00199	1.7
70.92708	1.2
71.01246	1.2
72.15812	0.5
77.87910	0.6
83.01260	1.2
84.12418	0.5
94.08911	0.5
98.19987	0.5
98.26584	0.5
101.03808	0.6
107.01282	2.2
116.92744	2.1
132.02092	1.2
133.02855	1.6
134.03616	1.8
135.04385	1.2
143.04900	0.9
145.02869	1.3
147.00839	1.0
148.01549	0.6
151.00275	8.6
152.01024	0.7
155.04892	0.9
159.04358	0.6
160.01573	3.0
161.02327	4.7
163.00154	0.7
165.01831	1.1
171.04466	1.5
175.03951	2.4
177.36195	0.5
178.99768	2.4
179.03403	1.6
182.03604	0.5
183.04449	3.3
185.02354	0.8
186.03346	0.7
187.03951	1.3
193.01422	0.8
193.04997	1.4
199.03926	11.0
201.01894	1.4
203.03600	1.0
211.03917	2.1
215.03455	4.6
216.03970	0.6
226.02641	0.6
227.03448	9.9
229.01524	0.6
242.02187	6.3
243.02950	35.0
244.03362	3.2
245.00916	0.6
254.02257	0.7
255.00275	1.0
255.02965	15.5
256.03452	1.9
257.04501	5.3
258.04849	0.8
270.01675	7.5
271.02460	51.2
272.02856	4.8
285.04053	11.6
286.04767	3.9
287.05557	1.3
298.00781	0.7
299.01947	100.0
300.02505	14.6
301.03061	1.2
313.03534	11.2
314.04291	73.3
315.05020	15.1
316.05368	1.0
328.05847	5.6
329.06570	1.6
361.09406	0.5
469.13403	1.5
584.83197	0.6
623.15936	1.5
637.18018	0.8
799.20862	73.9
800.21210	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	799.2096
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01246	3.5
61.98707	5.9
62.54417	2.1
71.01263	3.5
71.53400	3.4
88.98682	4.1
95.48272	2.9
107.01312	3.6
112.73074	2.0
144.15732	2.3
151.00266	8.8
151.03859	2.2
166.33292	2.0
178.99731	3.6
188.21902	2.2
189.99016	2.9
199.03804	2.9
199.42894	2.1
227.03403	6.9
239.03484	3.0
241.01434	3.0
242.02202	16.5
243.02936	19.4
245.00818	4.8
255.03067	11.1
257.04388	4.5
267.02835	3.0
270.01733	17.6
271.02484	21.3
272.03043	3.9
283.02493	3.7
284.03162	2.6
285.04181	13.8
298.01166	2.5
299.01971	42.7
300.02548	12.2
309.04282	2.7
311.01877	4.4
313.03543	46.1
314.04358	39.1
315.05090	13.1
325.03494	6.5
325.07202	2.4
327.05051	3.3
340.02005	3.2
354.03717	16.7
355.04547	20.7
399.85895	2.3
539.70319	2.6
636.14252	3.5
653.32330	2.2
663.15765	18.0
799.20978	100.0
799.35779	5.1
800.21625	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	801.2102
Annotation	Unknow
Peak:m/z	Relative Intensity
59.37344	2.0
65.00208	3.6
69.73630	10.4
72.17902	1.9
75.41624	2.1
98.19991	5.2
98.20582	2.8
99.00788	2.3
101.02394	2.4
109.99945	3.8
119.35134	2.0
121.02852	3.2
135.45331	2.2
136.98788	3.1
137.99382	1.9
139.00227	6.0
151.00258	4.8
152.01138	2.4
163.00237	3.0
163.03958	3.4
164.98233	3.8
165.98972	10.8
166.99718	4.0
171.04443	3.3
175.39612	2.1
177.99074	2.8
178.99754	3.7
186.03247	4.2
202.02644	3.5
203.03439	4.4
213.02086	2.4
214.02721	10.4
215.03435	2.8
226.02596	2.4
227.03453	2.8
229.05008	2.6
230.02148	6.5
241.01485	3.9
242.02203	11.3
243.02914	7.4
257.04645	3.6
258.01666	22.2
269.01016	3.5
270.01801	11.9
271.02542	7.8
273.04132	3.1
284.03314	4.3
285.04025	12.0
286.01187	22.8
286.04694	6.9
287.01990	18.9
300.02753	5.3
301.03540	82.3
302.04074	13.6
312.02884	3.5
313.00320	2.8
313.03461	13.7
315.01465	16.9
315.04901	4.7
316.01828	3.5
329.03076	53.0
330.03787	56.6
330.23935	2.4
331.04559	13.6
475.08975	5.2
490.81415	2.3
492.09027	6.2
493.09988	8.0
621.14618	5.0
639.15680	100.0
640.16089	24.3
801.21033	64.4
802.21527	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	803.3709
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03328	0.6
58.00478	0.3
59.01251	100.0
60.01587	1.1
63.23796	0.1
69.69458	0.8
71.01253	11.0
72.99198	0.3
73.02820	3.1
83.01260	1.3
84.02057	0.2
85.02825	5.2
85.03345	0.3
87.00761	0.5
89.02327	1.4
95.01256	1.0
97.02803	0.2
99.00748	1.7
101.02325	6.4
106.86287	0.2
113.02329	4.4
113.03054	0.3
119.03441	0.4
128.85416	0.2
129.01848	0.2
143.03421	0.3
159.02892	0.9
161.04454	3.5
161.05635	0.3
248.31212	0.2
275.16681	0.2
302.41818	0.2
315.18130	8.4
316.18622	0.7
357.19113	2.1
467.56705	0.2
785.85864	0.2
791.29407	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	805.2926
Annotation	Unknow
Peak:m/z	Relative Intensity
56.99240	1.4
59.01243	9.2
59.32537	1.6
61.98698	7.6
71.01244	4.2
71.53170	1.8
85.02827	2.2
94.13921	1.6
96.95930	3.2
101.02324	2.8
109.02849	3.1
109.84531	1.9
111.00801	2.1
137.02341	22.6
150.03088	4.6
151.00255	14.4
151.03928	5.5
152.04713	4.2
156.73711	1.9
161.04456	1.7
165.01843	100.0
165.05482	6.0
165.32440	1.6
166.02641	37.9
167.03400	3.9
175.03914	2.7
177.01851	1.9
177.05521	3.4
178.02519	1.8
179.03415	22.7
180.04207	59.4
181.04977	37.7
187.03975	2.5
188.43700	1.6
190.06055	1.9
191.03423	1.9
192.04182	2.2
193.04991	1.8
194.05809	6.2
195.02850	2.4
195.06560	79.8
196.06894	4.3
200.68938	1.7
205.05009	4.4
210.05260	12.6
220.07431	5.5
225.07637	76.2
226.07927	5.0
234.27960	1.5
305.76648	1.7
337.88168	1.8
359.11514	2.4
387.10440	4.1
387.14651	6.8
402.13028	3.7
403.13928	2.8
416.14764	3.9
417.15512	61.3
418.15820	6.3
580.19910	2.0
595.21851	62.4
596.21991	11.8
643.24011	26.4
644.24078	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	805.2923
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	15.1
65.80234	1.5
70.67699	1.5
71.01259	2.8
71.53320	2.6
73.02836	1.5
86.24997	1.5
93.03356	1.6
96.95875	1.8
101.02328	2.4
103.85326	1.6
121.02857	4.2
122.03648	10.7
134.03633	1.5
149.02370	12.2
150.03128	83.3
150.31885	1.7
151.03502	1.8
164.04707	2.4
165.01851	5.0
165.05490	100.0
166.02600	1.7
166.05798	4.4
170.18431	1.7
180.04192	9.6
195.06555	73.1
196.06882	4.0
225.07736	2.6
268.07495	3.7
283.09824	1.7
312.06363	3.3
323.09195	4.4
327.08780	7.4
339.08716	10.9
339.12262	2.6
342.11252	7.1
354.10956	6.7
357.13406	27.3
358.13956	2.7
365.57364	1.6
369.13406	32.7
370.13660	3.7
583.21820	38.1
584.22028	7.1
595.21252	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	805.2936
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01257	21.9
61.98709	1.7
71.01263	1.6
71.53461	1.2
73.02837	1.2
93.03358	2.8
95.01288	0.9
96.95882	1.2
105.69132	0.8
111.00700	0.9
120.29275	0.9
121.02851	4.7
122.03663	12.0
129.87292	0.8
133.02870	1.9
136.01569	1.7
137.02309	0.9
149.02361	28.5
149.03571	1.6
150.03143	95.9
151.03439	4.1
164.04726	8.4
165.05502	100.0
166.05841	3.7
175.03828	0.9
177.05518	2.3
179.07051	1.1
180.04230	6.8
181.04907	1.1
195.06577	53.0
196.06941	2.9
240.64224	1.2
268.07507	2.4
280.07367	1.1
283.09824	2.6
296.06915	1.4
297.11200	1.2
304.77463	0.9
307.09680	1.3
308.07047	1.5
308.10458	2.5
309.07675	2.1
309.11298	1.6
310.08362	1.2
312.06427	2.1
323.09378	4.4
323.12665	1.5
324.06476	1.5
324.10037	3.6
325.10800	3.8
326.11581	5.3
327.08939	5.0
327.12256	1.8
328.09149	1.1
338.11792	1.9
339.08722	12.4
339.12451	2.4
340.09271	1.4
341.13919	3.8
342.11063	9.1
343.11710	1.8
354.11047	7.0
357.13443	25.8
358.13690	3.7
369.13446	30.5
370.13690	3.3
387.14703	1.2
457.12933	2.1
461.16040	1.2
462.15887	0.9
487.17548	2.2
489.15549	1.2
490.16473	1.0
505.18729	4.3
506.19095	1.3
517.18848	1.0
535.19757	48.8
536.20239	7.2
553.20892	1.1
565.20453	2.4
583.21881	89.3
584.22180	18.5
584.30695	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	805.5102
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03309	1.8
59.01238	2.1
62.29028	0.6
71.52840	0.7
82.32090	0.6
85.59813	0.6
97.74124	0.7
111.08055	6.7
126.90259	2.4
127.00130	1.1
128.03433	1.6
137.09595	1.1
144.64799	0.7
165.12746	0.7
167.10770	1.2
177.12758	1.6
179.10728	1.7
195.13896	3.8
247.20738	1.8
262.04388	0.8
273.18655	1.2
276.80347	0.7
277.21747	5.2
287.49445	0.7
291.19656	100.0
292.19974	8.9
297.73877	0.8
446.86441	0.8
545.70685	0.7
573.28156	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	808.5144
Annotation	Unknow
Peak:m/z	Relative Intensity
58.47242	1.1
59.01231	2.0
69.69321	2.0
69.69712	3.8
71.70100	1.1
78.95790	3.4
82.23664	1.2
98.19835	2.4
150.10417	1.4
152.99438	2.1
163.11246	1.3
165.12779	18.5
183.97646	1.4
228.14951	1.2
242.08022	1.4
247.20634	9.3
273.18594	5.9
277.21732	65.4
278.22031	7.0
291.19675	100.0
292.19955	9.1
317.73233	1.2
394.10690	1.2
407.52853	1.4
425.77783	1.3
502.29440	33.3
503.29684	3.7
598.60248	1.3
804.80280	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	809.5425
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03324	0.5
59.01229	0.5
69.37228	2.9
71.02071	0.4
76.21674	0.4
97.06454	0.7
106.27601	0.5
112.32990	0.4
115.17355	0.4
116.92712	0.6
123.08141	0.6
125.09634	3.2
141.12825	0.6
149.09621	1.1
185.11740	6.7
186.12131	0.7
197.11745	2.0
249.22282	0.7
253.09096	0.7
261.94867	0.5
279.23282	4.8
293.21243	100.0
294.21591	8.9
780.02863	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	815.2045
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	2.7
61.22292	0.7
63.02264	2.3
65.00188	1.8
71.01254	2.2
83.01258	3.9
96.95934	1.6
97.53815	0.7
107.01283	7.3
125.02345	0.7
125.66755	0.7
132.02069	2.3
133.02835	2.6
134.03641	5.1
135.04404	3.1
136.01575	0.9
137.02310	2.7
148.01518	1.1
149.99438	1.2
151.00290	20.4
152.00899	0.8
160.01567	8.3
161.02390	6.6
163.00340	1.7
164.01076	1.5
164.61111	0.9
169.01389	4.2
175.03938	9.3
177.05415	0.9
179.03447	3.9
183.04405	1.1
193.04967	4.0
195.65088	0.7
199.03886	3.2
214.02562	1.4
215.03537	1.4
227.03458	4.9
228.04034	1.1
231.32274	0.8
241.01381	1.3
242.02171	6.7
243.02966	16.3
245.00874	1.7
255.02966	10.7
256.03461	1.7
257.04599	1.9
270.01688	7.4
271.02463	31.1
272.03098	4.5
284.03333	3.9
285.04074	8.3
286.04694	2.2
287.05566	4.0
298.01154	1.2
299.01974	47.6
300.02716	38.2
301.03052	3.7
313.03513	18.4
314.04330	44.1
315.05099	100.0
316.05389	9.0
323.07687	7.9
328.05750	1.9
329.06647	5.1
337.09280	3.9
338.09818	0.9
342.04868	0.8
357.06055	2.5
477.10373	42.6
478.10449	5.2
620.14124	0.9
653.15131	87.7
654.15491	19.0
815.20239	7.4
816.20544	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	815.4997
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01258	2.8
63.96111	1.5
69.03336	0.8
69.53822	2.2
71.01258	10.0
72.99201	0.4
73.02829	2.0
78.95806	0.8
78.98474	8.7
79.95216	0.3
79.95612	14.9
80.96397	100.0
81.03352	1.0
83.01302	0.6
85.02844	3.9
87.00743	4.2
94.97970	22.4
95.01286	0.4
96.95885	2.3
97.02827	2.1
99.00746	1.2
101.02336	3.8
106.97984	4.7
113.02327	0.8
122.97490	5.3
125.02345	6.2
127.03920	1.3
134.97482	8.2
136.99049	2.9
145.65776	0.4
146.97498	0.5
148.99057	10.4
152.98544	9.6
152.99672	0.9
164.98555	19.8
167.00104	0.5
178.99985	0.4
182.99609	0.6
206.99632	4.2
225.00723	29.5
226.00948	0.8
232.97383	0.5
255.23201	2.6
256.23630	0.6
277.21735	1.7
279.23639	0.4
322.92017	0.4
458.09641	0.4
477.87482	0.7
485.75674	0.5
537.27179	1.8
559.25946	2.0
578.43622	0.4
815.49921	62.2
816.50171	17.3
816.62598	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	817.2925
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	2.9
61.98695	2.3
63.87993	1.1
65.32290	1.2
65.39870	1.1
71.01250	2.8
71.52885	1.3
93.03339	1.5
121.02821	6.3
122.03609	4.0
122.88533	1.2
135.04408	5.1
136.01558	26.8
137.02351	21.9
138.02878	1.4
147.04372	1.4
149.02339	3.9
149.28807	1.2
150.03107	12.1
151.00281	5.9
151.03922	28.5
152.01024	2.0
152.04454	1.4
163.03880	3.6
164.01073	2.6
164.04631	1.3
165.01842	100.0
165.05487	9.0
166.02629	22.9
167.03389	3.7
175.03915	3.5
177.05518	2.0
179.03426	25.3
180.04189	58.6
181.04984	22.4
182.05363	1.4
189.05450	2.0
190.06258	5.2
194.05768	3.6
195.02869	2.5
195.06554	78.4
196.06854	4.0
210.05286	12.6
211.05960	1.3
225.07634	58.4
226.08011	2.8
315.05078	1.6
323.17197	1.2
329.10379	1.7
356.12701	2.7
357.09689	5.5
357.13199	5.8
372.12158	2.9
373.12762	2.1
386.13538	2.6
387.14505	56.0
388.14774	6.9
397.68930	1.4
417.15366	3.2
477.10339	1.5
565.20752	66.8
566.21051	8.7
583.21521	1.9
595.21405	1.9
597.22333	1.8
613.22900	27.2
614.23328	4.2
745.59882	1.4
817.43585	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	817.382
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	100.0
61.51980	0.9
62.31918	0.9
69.03315	2.8
71.01247	3.0
71.52798	1.2
80.96394	2.3
82.92855	0.9
83.01231	1.0
89.01791	1.0
89.02328	1.5
96.99178	3.3
97.02836	5.4
101.02339	1.4
108.49091	0.9
113.02255	1.2
113.82100	1.0
139.00175	2.4
141.01617	64.4
142.05002	2.1
164.13359	0.9
168.30371	1.0
275.83725	1.1
276.70197	1.3
277.21704	6.7
359.22025	3.5
397.13474	14.9
415.14362	1.6
419.11566	2.5
437.12643	4.1
695.19397	1.2
697.34192	1.9
817.49664	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	817.382
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	100.0
61.51980	0.9
62.31918	0.9
69.03315	2.8
71.01247	3.0
71.52798	1.2
80.96394	2.3
82.92855	0.9
83.01231	1.0
89.01791	1.0
89.02328	1.5
96.99178	3.3
97.02836	5.4
101.02339	1.4
108.49091	0.9
113.02255	1.2
113.82100	1.0
139.00175	2.4
141.01617	64.4
142.05002	2.1
164.13359	0.9
168.30371	1.0
275.83725	1.1
276.70197	1.3
277.21704	6.7
359.22025	3.5
397.13474	14.9
415.14362	1.6
419.11566	2.5
437.12643	4.1
695.19397	1.2
697.34192	1.9
817.49664	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	817.3835
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	100.0
60.01604	0.7
63.58276	0.5
70.18483	1.8
71.01257	3.8
71.80011	0.4
73.02840	0.5
78.98492	0.7
79.95608	0.9
80.96399	5.1
82.96001	1.1
85.02840	1.3
87.00764	0.8
89.02348	1.8
94.97962	1.1
96.99223	0.8
97.02833	1.3
101.02345	1.7
113.02340	1.5
119.03455	0.7
119.91088	0.5
125.02374	1.0
134.97507	0.6
141.01602	57.9
142.01981	1.1
152.98575	0.7
153.01553	0.5
164.98505	1.0
211.17099	0.6
225.00659	0.9
235.08160	0.8
277.21658	5.8
300.33844	0.5
359.21985	4.6
362.34451	0.6
397.13516	13.0
415.14496	3.1
419.11566	3.0
437.12729	2.8
515.82642	0.6
675.35870	1.1
697.34546	1.6
733.37415	0.6
816.50446	2.1
817.50623	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	819.3991
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	100.0
60.01591	1.3
61.98708	1.2
69.03326	0.6
70.10350	0.4
71.01255	3.1
71.53921	0.6
81.89217	0.5
85.02821	0.8
89.02313	2.0
96.99188	1.2
97.02836	1.0
101.02348	2.0
113.02355	1.0
125.02331	0.9
139.00290	0.9
141.01599	56.7
142.01924	0.9
142.05077	0.7
143.03476	0.6
158.89348	0.6
206.10590	0.5
279.23242	7.2
280.23825	0.6
361.23535	4.1
362.23804	0.8
397.13446	10.2
397.18512	0.7
398.13956	1.0
415.14896	1.6
419.11783	1.7
437.12854	3.8
440.79327	0.6
677.37823	1.2
699.36267	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	821.192
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98702	2.9
80.74237	2.5
98.04910	2.1
150.58728	2.2
151.00246	4.3
153.40929	2.3
211.57779	2.1
222.56474	2.3
227.03571	4.1
239.85513	2.3
242.02168	8.1
243.02927	9.2
255.03099	5.4
257.04849	2.4
270.01730	12.2
271.02454	16.4
285.04053	9.3
286.04706	2.4
298.01346	3.6
299.01947	37.5
300.02618	6.8
307.51923	2.2
313.03531	35.9
314.04315	66.4
315.05069	18.8
575.81903	2.5
623.16089	100.0
624.16504	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	823.3605
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01253	22.4
61.98689	6.9
71.01251	92.3
71.20261	4.3
72.99181	39.1
73.02817	4.3
80.93422	2.3
85.02815	5.1
89.02315	17.6
96.95900	3.4
97.02829	2.9
101.02329	9.9
102.30376	2.1
113.02326	5.3
115.00256	49.7
116.92721	2.3
119.03369	5.0
120.00025	2.2
120.28928	2.3
133.01324	42.0
140.86806	2.2
161.04471	3.6
174.97835	2.2
179.05461	2.8
181.12218	3.3
185.50536	2.5
221.15288	3.3
247.20607	3.0
249.50743	2.6
273.18600	2.7
291.19641	36.5
292.20163	3.4
309.20694	100.0
310.21088	10.4
397.13492	20.9
415.14633	22.1
506.69019	2.4
707.34991	60.8
708.34888	11.9
805.35065	14.6
806.35968	4.7
823.35803	36.2
824.37439	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	823.3606
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01255	25.4
61.98697	6.8
62.22908	2.4
63.44529	2.5
65.72051	2.7
69.82325	10.6
71.01254	67.7
72.99178	31.6
84.01865	2.3
85.02815	5.1
87.00745	4.6
89.02313	20.0
98.19936	3.1
99.00713	2.4
101.02334	15.7
111.08025	2.4
113.02339	6.7
115.00272	20.8
116.92746	15.9
119.03379	4.4
133.01332	11.4
141.75681	2.2
153.12730	6.1
161.04471	3.3
167.21793	2.2
172.47095	2.1
176.64990	2.3
179.05473	2.5
181.12256	5.0
187.66374	2.3
188.65033	2.3
223.99727	2.2
235.08090	3.0
247.20764	2.7
291.19641	28.1
292.19720	2.9
309.20718	100.0
310.21045	9.1
336.14926	2.6
345.35187	2.6
351.22144	2.2
379.64145	2.5
397.13528	27.8
398.14041	3.3
415.14563	23.4
707.34900	64.1
708.35419	9.1
805.35065	16.0
823.36383	19.5
824.35828	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	825.3536
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00470	3.5
59.01252	19.2
59.57492	1.9
61.82448	1.8
65.90666	1.7
67.27941	2.3
69.51647	9.3
71.01252	46.0
72.99168	3.4
73.02807	11.6
75.00743	4.2
83.01270	28.2
84.02037	2.0
84.98954	1.9
85.02837	6.9
87.00747	8.6
91.39156	2.0
97.02625	2.1
99.00694	19.5
101.02321	26.2
111.00541	2.0
112.01538	25.6
113.02383	8.5
116.92740	11.9
119.26259	1.9
123.00536	7.7
125.02139	2.8
127.00245	4.0
140.00771	5.1
141.01591	19.0
141.98679	4.4
147.92310	2.0
151.00035	19.4
152.00929	1.8
153.01601	4.3
153.12744	3.4
154.99556	2.3
166.99512	20.9
183.02666	75.9
184.03009	2.8
193.12035	18.6
195.13846	4.2
201.03621	2.6
207.10008	6.3
227.01694	24.8
235.13095	6.7
237.11026	20.5
247.13170	2.3
259.13052	2.3
277.14203	12.4
297.16992	6.7
329.52200	1.9
337.16269	21.8
338.16678	2.2
355.17291	16.3
379.17377	24.5
380.17767	3.0
381.15338	49.6
382.15582	4.3
397.18408	100.0
398.18741	10.4
399.16357	61.8
400.16757	5.4
423.16290	6.7
441.17679	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	827.2617
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01235	0.9
64.37915	0.3
69.66077	0.6
69.66476	1.4
71.01251	0.8
73.02808	0.4
84.86573	0.3
85.02828	0.5
91.34552	0.3
95.01266	0.4
96.44679	0.3
101.02379	0.4
103.88905	0.3
109.02813	0.9
120.30024	0.3
121.02899	0.3
123.00750	0.9
125.02383	0.4
126.51212	0.3
137.02333	5.1
149.02325	0.7
151.00253	7.3
151.03912	0.9
152.01009	0.9
152.04663	1.0
153.01796	0.4
163.03886	0.3
164.04665	0.6
166.02620	37.4
167.03162	2.4
175.03891	1.0
177.01804	1.5
179.03406	0.3
181.04977	66.0
182.05338	3.3
184.03662	0.5
190.06277	1.0
191.03354	0.8
192.04172	0.5
193.04964	0.4
205.04951	0.6
205.08574	0.7
207.06569	0.7
220.07277	0.3
247.06055	0.4
301.07440	0.4
313.03589	0.4
359.11343	1.3
371.14810	0.4
387.10843	9.1
387.15652	0.6
388.11115	1.1
402.13187	8.7
403.13492	1.2
417.15521	100.0
418.15854	12.6
431.24100	0.3
486.75555	0.3
561.19598	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	829.1836
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01242	0.6
61.39003	0.3
64.73186	0.3
65.00192	1.5
65.05794	0.4
67.01751	1.8
69.28918	2.8
71.01270	0.7
71.40252	0.4
73.02814	5.2
83.01245	1.3
93.03301	0.6
97.02827	3.8
98.20179	1.8
99.04416	0.7
101.02319	0.5
111.00764	11.9
119.04913	59.7
120.05263	2.1
143.03410	12.2
144.03616	0.4
154.99722	0.9
163.03915	100.0
164.04248	5.3
169.01324	17.2
170.01694	0.8
187.02444	1.6
205.34442	0.3
239.12721	0.6
243.02866	0.5
299.02072	0.4
320.26620	0.4
347.17200	0.5
477.10617	0.6
503.98795	0.4
581.23071	0.4
677.84814	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	831.2565
Annotation	Unknow
Peak:m/z	Relative Intensity
60.69946	0.6
70.09729	0.7
70.10073	2.0
89.02238	0.6
93.03324	0.8
121.02844	2.3
127.23039	0.5
133.02823	1.2
134.03630	48.4
135.03935	2.2
137.02348	7.8
139.03941	2.2
149.05986	15.0
150.03085	1.0
150.06274	0.6
165.01643	0.5
178.02631	29.8
179.03033	1.4
193.04996	100.0
194.05307	5.2
239.93930	0.6
263.97388	0.6
265.79739	0.5
292.58157	0.6
355.10370	12.1
356.10565	1.1
496.08447	0.6
534.14227	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	831.2722
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01243	5.1
69.46560	5.2
69.46961	2.2
72.14419	1.2
75.54358	1.1
77.18302	1.2
93.03336	5.1
98.19901	2.2
98.20511	2.7
101.02364	1.3
121.02843	5.2
122.03642	13.0
136.01590	2.1
137.02489	1.3
149.02351	34.2
150.03131	94.8
151.03522	4.8
164.04697	8.4
165.05489	100.0
166.05795	5.8
177.05495	2.4
180.04221	6.4
195.06564	71.6
196.06866	3.7
268.07468	1.7
280.07413	2.1
283.09683	2.5
293.07947	1.2
296.07016	1.6
308.06992	2.3
308.10367	2.9
309.07449	2.8
311.09436	2.3
312.06390	3.4
322.08209	1.8
323.09299	4.9
324.09995	3.2
325.10837	2.9
326.11624	3.1
327.08688	6.0
337.10532	1.8
338.11557	2.5
339.08701	14.5
339.12405	4.2
340.09158	2.5
341.13879	2.6
342.11084	9.8
343.11450	1.6
354.11029	5.0
357.13449	30.9
358.13757	3.9
369.13397	42.4
370.13751	5.5
461.16208	2.8
474.11487	1.6
490.16241	2.2
505.18396	3.6
517.18665	4.4
524.21698	1.3
535.19727	55.2
536.20251	6.4
545.90417	1.4
553.20331	1.8
555.28931	1.3
565.20782	1.9
583.21838	54.9
584.22015	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	831.272
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01257	10.7
71.01243	3.0
71.53200	1.5
72.31874	1.1
93.03362	2.2
121.02828	5.3
122.03645	12.5
135.04469	1.6
139.01079	1.4
149.02336	20.2
150.03127	90.7
150.06586	1.9
151.03523	2.1
164.04689	4.6
164.21008	1.3
165.05486	100.0
166.02692	1.6
166.05835	4.0
180.04175	7.0
181.04958	1.3
195.06551	78.4
196.06911	4.6
268.07416	3.0
283.09781	3.2
295.05945	1.4
308.06842	2.7
309.07654	2.6
311.09399	3.3
312.06409	2.9
323.09277	3.9
327.08752	5.3
338.11563	1.8
339.08765	18.7
339.12491	2.5
342.11096	7.3
354.11053	7.7
357.13437	22.9
369.13412	57.4
370.13794	4.8
448.76547	1.3
507.32574	1.6
517.18292	3.3
534.16901	1.4
535.19470	2.7
583.21790	17.8
584.21893	1.7
627.21631	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	831.5032
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01245	4.0
70.09784	3.8
70.10148	3.4
77.66936	1.6
78.95308	3.6
78.95774	75.2
80.96396	6.0
96.96841	17.7
122.97489	1.8
152.99469	24.7
161.34653	1.6
217.00253	2.0
223.00075	11.5
241.01161	39.7
255.23271	70.0
256.23648	5.5
259.02313	2.9
277.21729	45.7
278.21970	2.3
297.03687	2.3
345.13379	1.6
391.22394	9.8
396.01111	1.7
503.82083	1.7
519.09192	1.6
549.95038	2.1
553.27570	5.8
563.92688	1.9
831.50256	100.0
832.50513	28.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	833.5192
Annotation	Phosphatidylinositol(34:2)
Peak:m/z	Relative Intensity
58.47944	1.3
59.01246	3.5
71.01070	2.0
78.95782	100.0
80.96396	6.8
87.82383	1.4
96.96851	20.4
99.92440	2.3
122.97448	2.2
134.98442	1.8
152.98355	2.2
152.99519	31.2
154.98715	1.8
155.06442	1.5
158.93864	2.0
177.46249	1.4
220.99844	1.5
223.00023	8.1
241.01161	48.6
242.01527	2.6
255.23288	84.2
256.23624	9.7
259.02255	3.8
277.21695	4.3
278.22141	2.6
279.23294	63.2
280.23669	4.6
297.03659	3.1
361.40497	1.6
373.50134	1.7
391.22690	7.8
415.22388	2.1
478.86670	1.9
553.27832	6.1
554.28314	1.8
828.07031	1.7
833.51862	93.4
834.52338	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	835.3611
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	100.0
60.01588	1.1
69.03288	0.3
69.39986	0.8
69.40398	1.4
71.01252	8.5
73.02823	4.1
75.00753	0.3
83.01281	1.2
85.02819	2.8
87.00814	0.3
89.02317	3.2
90.16431	0.3
95.01279	0.4
99.00772	0.6
101.02326	5.5
113.02330	4.4
119.03427	1.8
125.02329	0.4
131.03381	0.4
143.03441	0.5
149.04507	0.8
161.04446	2.7
179.05566	0.9
203.05525	0.4
313.16586	0.4
331.17569	2.3
373.18665	5.3
374.19025	0.4
480.69501	0.3
715.80969	0.4
865.63940	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	837.3758
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	47.1
61.98697	6.0
71.01249	15.6
71.53613	6.0
72.42036	3.3
73.02803	7.7
79.60654	3.5
85.02810	11.4
89.02286	5.3
96.95905	4.1
101.02303	12.9
105.90096	4.2
113.02295	12.5
279.38077	3.7
364.21255	4.1
433.66425	4.3
545.33350	100.0
546.33496	16.4
677.01001	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	841.5138
Annotation	Unknow
Peak:m/z	Relative Intensity
71.45164	100.0
73.94109	44.4
77.66351	49.7
80.96377	69.3
81.90935	47.4
87.14796	48.4
87.23801	45.0
89.49461	45.9
123.18581	48.6
234.84811	50.0
256.68503	44.3
332.35391	53.3
350.62335	45.0
402.98386	59.3
660.80090	57.8
755.13367	55.2
841.51013	60.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	847.3027
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01253	29.0
62.67231	1.3
65.51090	1.8
71.01254	3.1
93.03324	4.1
95.01928	1.3
96.16814	1.4
121.02834	4.6
122.03639	10.7
136.01599	2.3
149.02336	29.2
150.03133	85.9
151.03481	4.8
163.03831	2.1
163.07611	1.8
164.04742	7.2
165.05478	100.0
166.05823	3.7
175.03870	1.7
175.11647	1.6
179.06943	2.0
180.04158	7.6
188.03246	1.4
195.06551	62.5
196.06870	3.2
220.20526	1.6
224.06772	1.5
268.07434	2.4
273.87994	1.4
283.09860	1.8
308.06934	1.8
308.10425	3.3
309.07748	3.7
312.06281	2.6
323.09106	3.6
324.06247	2.9
324.09702	2.0
325.10757	2.6
326.11539	3.3
327.08719	6.1
338.11496	2.0
339.08670	14.3
339.12283	3.7
341.14020	3.0
342.11163	8.7
354.10941	4.9
355.11926	2.4
357.13422	23.5
358.13953	3.7
369.13388	40.7
370.13693	4.0
472.15009	3.4
487.17978	2.0
505.18503	5.6
517.18512	5.5
535.19696	45.9
536.19952	5.9
583.21875	65.5
584.21918	12.2
625.22656	3.6
672.32202	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	847.3028
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01246	5.5
59.67844	1.5
61.98693	1.4
67.01763	1.5
69.42191	10.1
71.01255	2.4
85.02865	1.6
98.19774	3.5
98.20409	2.9
109.02825	3.9
110.84963	1.5
123.04413	1.4
136.01596	2.6
137.02351	28.9
149.02292	1.8
150.03145	4.8
151.00256	14.0
151.03874	6.6
152.04674	3.0
165.01842	100.0
165.05461	5.9
166.02643	42.0
167.03302	3.1
175.03888	2.3
176.01192	1.9
178.02573	1.9
179.03415	22.5
180.04195	61.4
181.04987	46.6
182.05338	3.3
184.03654	2.3
193.04962	1.9
194.05740	5.1
195.06543	81.8
196.06924	4.9
205.05011	5.0
210.05292	11.3
220.07365	3.8
221.07939	1.5
225.07625	68.5
226.07971	4.1
267.70444	1.8
372.12207	2.3
386.13464	2.1
387.10767	6.8
387.15186	7.1
388.11484	1.7
402.13022	4.8
403.13861	2.5
416.14774	5.2
417.15558	69.2
418.15942	6.0
565.17480	3.0
595.21783	65.7
596.22308	13.5
643.23730	23.3
644.24170	6.7
774.58130	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	848.2102
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98700	100.0
64.83727	1.7
69.19590	1.6
73.27285	1.3
74.90549	1.8
80.38038	1.3
134.33629	1.4
151.00293	2.8
178.99779	1.6
199.03931	1.5
242.02225	4.5
243.03006	7.0
244.23421	1.4
255.02928	4.4
270.01663	9.0
271.02359	10.3
285.04123	4.0
298.00903	2.4
299.01929	19.1
300.02615	2.0
313.03525	19.3
314.04288	34.9
315.04990	10.4
623.16150	74.8
624.16418	9.8
756.21320	1.9
759.05133	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	849.3402
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01253	100.0
60.01596	1.0
67.94357	0.3
69.03317	0.3
69.31944	2.0
71.01255	12.8
72.99194	0.6
73.02824	4.0
77.64675	0.3
83.01254	1.7
85.02824	6.3
86.03232	0.2
86.46066	0.3
87.00789	0.8
89.02322	3.9
95.01272	1.0
97.02889	0.4
99.00745	1.7
101.02323	10.0
102.02670	0.3
110.59209	0.3
113.02334	5.8
114.02663	0.2
119.03410	0.9
125.02348	0.8
129.01886	0.4
131.03450	0.6
134.03661	0.3
143.03453	1.1
152.01068	0.3
159.02950	1.0
160.01707	0.2
161.04465	5.3
165.86160	0.3
175.03841	0.3
179.05534	3.5
179.06995	0.4
193.05066	0.6
195.06625	0.3
207.43172	0.3
221.06744	0.9
244.17142	0.3
250.19339	0.2
269.10300	10.8
270.10718	0.8
311.11377	6.7
311.14896	0.4
312.11877	0.5
331.17789	0.7
355.10663	0.4
493.22934	6.2
494.23679	0.8
558.51703	0.3
649.27277	0.3
849.25836	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	853.3717
Annotation	Unknow
Peak:m/z	Relative Intensity
59.52518	1.2
61.98716	14.6
71.01258	22.4
71.53083	1.7
71.78621	1.2
73.02821	7.8
83.01252	4.1
85.02830	10.0
87.00771	1.5
87.04360	1.3
89.02318	5.2
95.01273	2.3
96.95895	1.5
99.00771	2.5
101.02326	14.8
103.32201	1.4
113.02312	8.5
119.03371	1.8
161.04549	1.8
233.77954	1.6
271.27487	1.5
321.24332	1.7
329.73944	1.4
412.64456	1.3
483.29718	3.0
501.30444	4.6
519.31750	3.2
525.30658	1.6
543.31616	4.3
561.32806	100.0
562.33228	18.4
688.28729	1.6
717.72516	1.6
814.75726	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	861.2672
Annotation	Unknow
Peak:m/z	Relative Intensity
62.71755	0.6
69.07679	0.7
69.29723	5.7
85.32419	0.8
93.03310	0.9
94.09226	0.6
98.20584	1.4
101.77088	0.7
121.02825	3.0
135.04417	2.8
149.02348	25.3
150.02669	1.2
152.01064	4.6
163.03938	3.8
164.04688	18.7
165.01913	1.1
165.05098	0.8
169.04985	2.7
179.07082	5.2
193.01355	12.4
208.03723	27.3
209.04071	1.4
209.08133	1.4
223.06078	100.0
224.06400	4.6
277.03210	0.8
385.11343	22.8
386.11725	2.1
425.87253	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	861.3039
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01746	1.7
68.99702	1.1
69.03304	1.0
69.44131	3.7
71.01263	11.6
72.99184	4.3
73.02797	1.3
75.00351	1.1
75.00750	11.9
81.03319	0.7
85.02833	12.4
87.00767	4.1
89.02322	3.0
91.47550	0.6
93.03344	1.1
95.01269	4.4
98.19930	2.2
99.00771	7.1
101.02349	1.4
111.04445	0.9
113.02337	14.4
115.00298	1.1
115.31893	0.7
117.01869	1.4
121.02851	65.9
122.03172	3.1
129.01828	1.0
144.75487	0.8
175.02380	1.4
231.05070	3.6
237.86363	0.7
249.06160	43.4
250.06616	2.1
350.36890	0.7
353.08774	1.3
371.09845	100.0
372.10101	8.4
405.82404	0.8
445.20636	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	865.3348
Annotation	Unknow
Peak:m/z	Relative Intensity
65.50877	0.7
68.99682	1.6
70.32220	1.2
70.32561	1.4
71.01257	9.4
72.99184	2.6
73.02834	1.2
75.00747	10.6
75.70447	0.7
85.02821	11.1
87.00755	3.4
89.02319	2.6
93.03344	1.2
95.01270	3.0
99.00757	6.1
103.00248	1.0
109.02812	1.4
111.00750	0.8
113.02337	14.5
115.00265	2.1
117.01852	2.0
121.02844	53.6
122.03168	2.1
129.01790	1.1
137.09627	1.0
139.97327	0.7
172.10994	0.8
172.31985	0.9
175.02411	1.3
189.03998	1.2
231.05070	2.3
249.06139	38.2
250.06522	1.4
353.08768	0.9
371.09830	100.0
372.10184	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	871.382
Annotation	Unknow
Peak:m/z	Relative Intensity
61.32109	4.0
64.90836	3.6
67.39624	3.5
71.01260	52.7
73.02823	20.4
83.01262	10.2
85.02843	12.1
87.04389	4.8
89.02315	24.5
95.01266	5.7
101.02322	32.2
110.17673	3.3
113.02334	28.7
119.03410	14.0
125.02317	4.5
129.80110	3.9
161.04485	13.3
163.67197	3.5
183.58189	3.6
187.13327	19.8
192.95192	3.7
221.26312	3.7
243.05055	4.1
331.17664	60.2
332.18036	7.8
349.18726	30.2
391.14859	7.0
391.19742	100.0
392.20096	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	881.366
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01758	2.3
69.64271	0.4
69.64671	0.2
71.01250	0.4
78.95839	0.1
83.01252	0.3
85.02827	1.2
87.00755	7.5
87.69880	0.2
89.02322	0.2
101.02321	0.4
111.00765	100.0
112.01095	2.2
112.98696	0.2
129.01828	0.4
136.70869	0.1
154.99756	0.3
165.12805	0.2
173.00832	11.4
174.01175	0.3
191.01903	0.2
193.12114	0.1
260.39572	0.1
291.19748	0.3
309.20712	0.7
397.13379	0.2
415.14697	0.2
503.21185	0.1
707.35358	0.5
757.49243	0.1
819.36847	0.3
881.36646	3.3
882.36603	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	889.2409
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98717	0.4
63.02264	0.8
63.23666	0.3
65.00202	0.5
70.44856	0.4
70.45200	0.8
71.01252	0.5
83.01252	0.8
99.93563	0.3
107.01261	1.6
115.08694	0.3
121.02821	0.6
143.04901	0.3
143.49471	0.3
145.02826	0.5
151.00273	4.8
153.71786	0.3
155.04901	0.3
157.02827	0.3
159.04416	0.3
161.02386	0.3
169.01395	0.6
171.04437	0.5
175.03961	0.4
178.99774	1.1
183.04459	1.0
185.02251	0.4
198.03197	0.6
199.03947	2.9
203.03510	0.4
211.03899	0.6
214.02638	1.8
215.03430	1.3
226.02594	0.7
227.03452	3.8
241.01402	1.4
242.02185	11.4
243.02951	15.9
244.03352	1.5
245.00850	3.6
254.02336	0.7
255.02959	6.2
256.03485	0.4
257.04559	1.6
270.01678	15.3
271.02457	20.3
272.02887	2.0
273.00015	0.3
282.01709	0.3
284.03345	0.6
285.04016	9.7
286.04715	2.6
287.05417	0.6
298.01248	3.1
299.01956	44.5
300.02524	8.3
313.03540	30.3
314.04294	54.1
315.04932	12.1
316.05518	0.5
356.05246	0.4
357.06241	0.9
361.94144	0.3
476.09528	0.6
605.15039	0.9
727.18774	100.0
728.19067	19.8
740.14441	0.5
763.61359	0.4
889.24109	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	889.3718
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03341	4.4
69.17815	3.8
69.18211	14.3
69.20600	1.5
71.01260	100.0
72.99181	6.6
73.02824	85.3
75.00763	2.6
83.01270	28.6
85.02827	16.6
89.02329	18.7
95.01268	5.8
96.95868	2.1
97.02807	3.9
98.20168	8.8
99.00748	3.0
99.04412	3.3
101.02332	91.0
107.04916	11.1
108.17491	2.1
113.02343	41.0
119.03413	13.3
119.04902	6.9
125.02341	5.4
131.03410	7.4
137.05975	2.0
142.83530	1.6
143.03380	10.6
147.08034	2.7
149.04462	7.2
149.05972	8.3
155.03407	3.9
161.04463	19.4
162.06801	2.1
163.03922	6.1
163.11253	11.3
175.07608	1.8
177.12775	2.5
179.10753	2.3
187.11241	7.5
190.10010	3.1
203.05563	3.6
205.12297	84.1
206.12703	2.2
221.06760	2.2
223.13332	4.9
269.63184	1.5
299.02036	1.6
313.16577	6.2
331.17664	8.1
373.18677	21.6
392.52048	1.8
427.19379	1.9
679.38141	2.1
847.42731	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	895.2881
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01257	5.1
71.12742	1.5
73.02826	0.8
76.43159	0.8
85.02841	2.5
89.02303	1.5
100.85531	0.7
101.02330	2.2
113.02308	1.6
134.00133	0.9
150.03127	1.5
151.00325	1.9
153.01901	0.8
161.02330	1.0
165.05466	1.0
176.04723	1.0
179.03433	2.0
194.05800	2.6
195.06552	2.6
199.03975	1.8
201.01889	0.9
209.08145	3.5
215.03514	1.2
223.05890	0.9
227.03470	5.8
233.22176	0.8
242.02161	4.3
243.02977	20.9
244.03334	1.8
255.03036	5.3
257.04498	6.5
270.01678	5.9
271.02536	21.1
272.02853	1.7
284.03305	3.2
285.04007	13.4
286.04752	4.3
299.02008	9.5
300.02695	4.4
314.04337	39.3
315.04916	10.7
331.17670	3.2
373.18909	4.4
421.14951	2.2
447.09384	10.0
448.10022	1.3
477.10406	100.0
478.10623	10.4
576.63696	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	895.2881
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01257	5.1
71.12742	1.5
73.02826	0.8
76.43159	0.8
85.02841	2.5
89.02303	1.5
100.85531	0.7
101.02330	2.2
113.02308	1.6
134.00133	0.9
150.03127	1.5
151.00325	1.9
153.01901	0.8
161.02330	1.0
165.05466	1.0
176.04723	1.0
179.03433	2.0
194.05800	2.6
195.06552	2.6
199.03975	1.8
201.01889	0.9
209.08145	3.5
215.03514	1.2
223.05890	0.9
227.03470	5.8
233.22176	0.8
242.02161	4.3
243.02977	20.9
244.03334	1.8
255.03036	5.3
257.04498	6.5
270.01678	5.9
271.02536	21.1
272.02853	1.7
284.03305	3.2
285.04007	13.4
286.04752	4.3
299.02008	9.5
300.02695	4.4
314.04337	39.3
315.04916	10.7
331.17670	3.2
373.18909	4.4
421.14951	2.2
447.09384	10.0
448.10022	1.3
477.10406	100.0
478.10623	10.4
576.63696	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	905.2362
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02291	0.4
65.00205	0.5
68.31564	0.4
68.82584	0.4
70.82493	0.7
79.00615	0.4
83.01275	0.6
89.55425	0.4
93.03353	1.6
107.01272	1.2
136.01569	0.4
137.02342	2.9
151.00266	4.8
152.01056	0.7
154.64160	0.3
159.39528	0.4
167.04951	0.5
178.99800	1.1
180.20291	0.4
181.06587	0.3
183.04422	1.1
199.03889	3.9
201.01851	0.5
203.03276	0.6
210.33893	0.4
210.45786	0.4
211.04074	0.6
215.03429	1.5
227.03458	3.4
242.02153	3.5
243.02954	16.2
244.03285	1.2
245.00949	0.4
254.01915	0.5
255.02954	7.0
257.04633	2.2
270.01691	4.4
271.02481	25.4
272.02997	2.1
285.04050	6.4
286.04803	3.2
299.01981	53.2
300.02545	8.0
301.03192	0.6
313.03586	5.3
314.04330	62.0
315.04977	12.6
316.05417	0.5
449.19547	0.4
464.65292	0.4
475.10748	0.4
743.18280	100.0
744.18542	16.7
760.75110	0.4
853.36951	0.5
905.23578	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	913.2623
Annotation	Unknow
Peak:m/z	Relative Intensity
64.12174	0.2
65.75837	0.2
69.28753	0.6
69.29177	1.1
71.01252	0.4
75.22076	0.2
75.68866	0.2
75.90532	0.2
77.31623	0.2
83.01292	0.2
93.03362	0.3
95.01289	0.4
97.30987	0.2
109.02829	1.4
111.00779	0.3
111.33158	0.2
121.02834	0.4
123.00773	1.6
125.02396	0.3
127.18633	0.2
133.02869	0.3
137.02348	6.6
139.00233	0.4
139.03925	0.5
148.90485	0.2
149.02347	1.0
150.03117	0.2
151.00272	11.8
151.03888	0.6
152.01091	1.1
152.04691	1.5
154.02649	0.3
159.04474	0.3
163.03941	0.4
164.04659	0.3
165.01851	0.7
166.02629	43.7
167.03230	2.3
168.04123	0.3
173.02319	0.3
175.03899	0.7
175.42961	0.2
176.01065	0.3
177.01825	1.5
177.05412	0.3
178.02470	0.3
179.03444	0.3
181.04984	56.5
182.05325	2.4
184.03662	0.3
189.05486	0.4
190.02730	0.2
190.06296	0.8
191.03464	0.5
192.04262	0.8
193.04962	0.6
195.02876	0.4
196.03384	0.2
201.61871	0.2
205.05019	0.8
205.08681	0.7
207.06596	1.1
215.83145	0.2
219.06616	0.4
271.02374	0.6
286.08304	0.2
299.01849	0.4
300.02808	0.3
301.06958	0.3
329.10321	0.5
341.10126	0.3
344.08936	0.3
353.32306	0.2
357.09738	0.3
359.11179	1.3
360.11514	0.3
371.14813	0.3
387.10843	9.8
388.11331	1.0
402.13208	7.3
403.13455	0.8
417.15530	100.0
418.15912	11.6
462.08188	0.3
463.08673	0.5
561.19385	1.2
601.76984	0.2
603.21082	0.6
621.21130	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	915.4257
Annotation	Unknow
Peak:m/z	Relative Intensity
69.10188	0.4
70.88486	0.8
79.81876	0.3
85.42902	0.3
107.01274	1.1
109.02840	0.7
118.79569	0.3
121.02840	1.1
125.02312	0.8
132.56374	0.4
135.00845	0.6
137.02350	0.9
151.00282	6.0
152.00586	0.7
163.00328	1.1
166.02635	5.6
167.02982	2.0
168.03096	0.6
174.03082	0.4
177.01796	0.4
178.99783	2.6
181.04985	9.4
182.05307	3.5
183.05551	1.0
190.02582	0.5
198.03137	0.4
199.03877	0.5
215.03461	0.4
226.02675	2.4
227.03491	0.9
243.02963	7.3
244.03290	0.5
254.02184	3.5
255.02870	3.7
256.24448	0.4
271.02481	34.7
272.02982	4.3
280.91034	0.4
299.01935	1.3
300.02747	46.8
301.03436	17.1
302.03864	1.1
343.04587	0.6
387.10968	0.7
388.11172	0.8
389.11319	0.7
402.13205	0.8
404.13736	0.8
417.15585	8.5
418.15903	8.8
419.16122	8.0
420.16632	0.7
462.07489	0.8
463.08832	100.0
464.09164	11.4
671.50366	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	915.4996
Annotation	Unknow
Peak:m/z	Relative Intensity
63.38601	0.8
69.36259	0.9
71.53393	1.1
78.95778	33.8
81.99770	0.9
88.01851	0.8
96.96841	3.3
109.28051	0.8
114.35497	0.8
152.99490	50.6
153.40147	0.9
171.00549	9.5
227.03195	2.9
241.46361	0.8
245.04295	59.0
246.04640	1.5
253.21712	27.4
254.22090	2.0
282.77658	0.9
433.23514	2.5
481.25711	100.0
482.26114	9.0
577.07776	0.9
777.80328	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	917.2723
Annotation	Unknow
Peak:m/z	Relative Intensity
66.35307	0.2
71.53416	0.4
74.98964	0.3
81.03337	0.5
83.04890	0.8
85.02829	2.5
91.05430	0.4
93.03352	0.4
94.09273	0.2
95.04893	0.4
107.04937	0.5
121.06480	3.5
121.10132	0.8
123.08031	0.3
133.06505	1.0
133.10098	0.3
135.08038	0.7
137.09619	35.1
138.09929	1.6
142.23805	0.2
144.05734	0.9
147.08046	1.9
149.09601	0.3
157.06519	0.8
159.08078	1.5
160.08849	0.4
161.05905	0.4
163.00198	0.3
163.11197	38.2
164.11531	2.2
165.09143	0.4
171.55521	0.3
173.09616	3.3
174.10349	0.7
175.11203	9.6
176.11528	0.4
179.07059	0.3
183.08034	0.4
187.07587	0.6
187.11288	0.3
189.09126	0.6
189.12744	1.2
191.10715	0.3
193.12245	0.6
199.11224	1.8
200.08444	0.3
201.09145	7.1
202.09900	3.8
203.10452	0.3
209.68964	0.2
215.10771	1.7
217.12283	100.0
218.12613	6.0
227.03426	2.3
229.05003	1.0
231.10150	0.8
235.13354	46.8
236.13724	2.7
237.11243	1.4
255.02980	4.9
256.03525	0.7
257.04620	0.4
261.11279	0.3
279.12357	6.2
280.12656	0.5
284.03247	5.5
285.04022	7.5
321.79391	0.2
380.09613	0.2
475.81912	0.3
593.15100	15.6
594.15454	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	925.2045
Annotation	Unknow
Peak:m/z	Relative Intensity
70.87090	2.3
85.96393	1.7
87.24364	1.6
92.63737	1.6
151.00298	3.1
210.85646	2.0
227.03462	25.4
228.03915	2.9
243.03027	11.8
255.02979	31.2
256.03543	6.0
257.04544	3.6
270.01834	2.2
271.02405	12.6
284.03265	44.1
285.04001	22.0
286.04819	4.1
299.01999	3.0
300.02597	3.7
301.03467	2.0
314.04410	23.0
315.04999	5.4
357.24512	1.8
447.09332	100.0
448.09534	13.2
477.10373	68.9
478.10455	6.8
506.14706	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	931.2725
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00177	0.5
69.00703	0.4
71.01204	1.2
74.90190	0.4
88.52785	0.4
107.01276	1.9
117.12514	0.4
135.04391	0.6
145.02829	0.5
149.82010	0.5
151.00267	4.2
169.01343	0.5
178.99770	0.8
183.04451	1.2
187.03917	0.6
199.03979	4.1
202.48421	0.4
203.03346	0.6
214.02689	0.5
215.03429	0.9
226.02644	0.7
227.03455	3.7
228.04048	0.6
229.31055	0.4
242.02168	6.7
243.02933	13.8
244.03320	1.2
245.00885	1.6
255.02972	8.0
256.03476	0.9
257.04526	1.8
269.98929	0.9
270.01675	8.4
270.04660	0.7
271.02448	21.8
272.02884	1.7
283.02124	0.5
285.04025	6.6
286.04636	2.0
287.05612	0.7
298.01132	1.3
299.01950	43.5
300.02542	8.2
301.03049	0.5
311.21124	0.6
313.03522	13.0
314.04303	44.6
315.04980	11.5
620.43982	0.6
769.21930	100.0
770.22266	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	931.2731
Annotation	Unknow
Peak:m/z	Relative Intensity
75.35420	1.1
82.76746	1.0
88.23405	1.0
151.00290	6.4
155.04906	1.2
178.99716	1.7
199.03894	2.8
227.03398	4.3
242.02214	5.1
243.02945	18.5
245.00919	1.4
254.02408	1.3
255.02911	8.5
257.04532	1.9
270.01691	9.6
271.02466	24.1
272.03018	1.4
285.04031	7.1
286.04675	2.3
298.01303	1.4
299.01965	55.6
300.02579	6.8
313.03534	19.1
314.04321	62.2
315.05008	14.8
368.18024	1.4
592.07867	1.4
722.64081	1.3
769.21997	100.0
770.22223	19.1
875.42053	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	945.5335
Annotation	Unknow
Peak:m/z	Relative Intensity
66.23826	0.4
67.99172	0.5
69.03332	0.5
71.01251	4.3
71.69693	0.4
78.95775	50.2
82.92402	0.4
85.02814	1.4
87.00735	1.4
89.02322	3.9
91.89087	0.4
96.95879	1.0
96.96843	6.3
97.02882	0.8
101.02337	3.5
112.96591	0.5
113.02340	1.5
119.03374	1.3
124.43828	0.5
125.02322	1.7
129.67264	0.4
143.03403	1.1
150.97922	1.6
152.99487	100.0
153.99863	0.8
161.04449	0.8
171.00560	3.7
179.05573	0.6
217.47990	0.5
229.38669	0.5
235.08145	2.2
238.01595	0.4
241.32776	0.4
257.08731	0.5
265.14774	1.2
266.15195	0.7
267.19644	9.3
268.20062	0.6
279.23276	12.6
280.23846	0.9
299.34924	0.5
397.13461	20.3
398.14099	0.8
415.14548	5.4
431.22012	32.5
432.22107	2.8
677.37738	0.7
791.19855	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	945.5342
Annotation	Unknow
Peak:m/z	Relative Intensity
67.24032	0.2
69.19953	1.7
73.70448	0.2
75.33784	0.2
78.95777	53.1
83.12585	0.2
96.96842	6.3
124.46449	0.2
150.97925	2.0
152.99490	100.0
153.52194	0.2
153.99820	1.4
171.00562	3.7
183.23088	0.3
208.78090	0.2
277.21667	0.7
358.44275	0.2
431.22018	37.2
432.22281	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	947.2674
Annotation	Unknow
Peak:m/z	Relative Intensity
70.26756	15.0
109.99975	11.9
111.00771	5.2
117.28625	4.2
139.00262	11.9
149.99483	4.5
165.98988	19.6
171.04466	5.1
178.99821	10.1
186.03081	5.3
201.86272	4.1
203.03185	6.0
203.07462	4.6
213.01912	5.9
214.02699	9.1
215.03378	5.0
226.02740	4.5
230.02098	7.7
241.01312	6.6
242.02130	11.7
243.02972	12.0
255.03023	7.0
257.04367	7.3
258.01627	35.3
259.02405	10.3
270.01691	11.9
271.02527	15.4
273.04013	5.4
285.03900	22.2
286.01227	25.0
286.04349	4.8
287.02020	35.7
301.03519	73.8
302.04071	14.9
313.03461	14.0
315.01462	30.3
315.04749	5.8
316.01923	6.2
329.03079	47.3
330.03833	63.0
331.04544	16.5
427.44205	4.8
758.12683	4.9
785.21454	100.0
786.21411	23.5
947.26965	43.8
948.27228	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	951.315
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01253	4.0
73.02836	1.1
85.02818	1.1
89.02307	1.3
101.02321	3.3
113.02338	2.8
119.03415	1.1
150.03098	2.4
151.00241	2.8
161.04497	1.5
165.05518	1.7
166.02655	1.0
181.04970	1.3
195.06462	1.4
215.03415	1.6
219.00478	0.8
223.15927	0.9
227.03471	1.4
242.02182	3.0
243.02962	21.2
244.03029	1.5
255.03056	1.3
257.04514	5.3
270.01648	4.4
271.02478	16.2
285.04037	9.3
286.04684	3.7
299.01862	5.9
300.02643	3.6
314.04300	31.3
315.04919	7.8
329.06027	0.9
357.06192	0.9
369.19183	1.6
387.20325	3.9
429.21371	9.7
430.21561	1.0
477.10367	100.0
478.10818	11.6
534.93115	1.0
541.65479	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	955.2158
Annotation	Unknow
Peak:m/z	Relative Intensity
77.87981	0.2
83.01262	0.4
95.95440	0.2
98.19926	1.3
98.20596	0.4
102.96120	0.2
107.01290	0.3
117.61214	0.2
121.94300	0.3
125.02372	0.3
135.00793	0.2
151.00285	1.5
171.04401	0.6
178.99815	0.3
183.04459	0.3
187.03992	0.3
199.03975	1.9
200.04285	0.2
201.01906	0.5
203.03560	0.4
204.04182	0.3
215.03439	1.7
219.04594	0.2
226.02597	0.3
227.03432	1.9
228.04144	0.2
228.20473	0.2
229.01328	0.3
229.67180	0.3
236.96159	0.2
242.02206	4.5
243.02977	23.6
244.03406	1.5
255.03021	1.0
256.03647	0.4
257.04572	6.6
258.04929	0.6
270.01700	6.5
271.02484	21.7
272.02911	2.0
285.04080	11.6
286.04755	4.2
287.04962	0.2
295.99435	0.2
299.01984	5.9
299.05322	0.4
300.02750	3.8
314.04355	34.8
315.05005	8.5
316.05414	0.8
345.75623	0.3
357.06183	0.6
368.93399	0.2
477.10400	100.0
478.10770	12.2
623.13812	0.2
885.00116	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	959.325
Annotation	Unknow
Peak:m/z	Relative Intensity
68.34701	2.2
69.22920	17.4
71.01257	15.8
73.02813	10.7
73.34247	2.0
77.93177	1.9
83.01246	7.6
85.02824	8.8
87.00753	8.2
89.02312	6.5
89.03868	2.2
95.01245	2.7
97.02826	7.7
101.02325	30.2
105.81590	2.1
113.02371	10.1
115.03899	2.5
117.03355	4.0
125.02360	3.0
128.72272	2.2
131.03320	3.4
132.02074	9.6
134.03638	52.1
138.99376	2.1
143.03392	5.7
149.05984	6.9
151.06039	5.3
160.01582	52.3
161.04460	7.3
163.05963	2.2
175.03923	49.2
176.04507	3.2
178.02588	6.2
184.66457	2.3
188.04727	2.0
191.07063	4.1
193.04991	34.8
198.03120	2.2
221.06586	2.5
235.06061	5.4
247.08182	2.0
397.13419	2.3
417.47400	2.4
959.32440	100.0
960.33209	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	961.2617
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01238	0.6
98.20178	3.0
107.01252	2.2
132.02074	0.8
133.02820	1.3
134.03595	2.3
135.04393	1.3
145.02818	0.9
149.05907	0.6
151.00282	6.8
152.01030	0.7
155.04814	0.6
159.04428	0.6
160.01575	3.4
161.02377	4.4
164.00864	0.5
165.01852	0.6
169.01324	0.5
169.02802	0.5
171.04362	0.7
175.03896	2.1
178.99828	1.7
179.03423	1.1
182.71332	0.5
183.04434	1.6
187.03922	1.1
193.05074	1.4
199.03955	6.6
201.01845	1.2
203.03395	0.9
211.03976	0.8
214.02618	0.4
215.03456	2.7
221.74426	0.4
226.02632	0.8
227.03467	5.2
229.01312	0.6
241.01402	0.6
242.02203	7.6
243.02957	22.4
244.03160	2.0
245.00821	1.0
254.02264	0.6
255.02948	9.5
256.03384	1.3
257.04538	3.9
270.01678	8.8
270.11810	0.4
271.02466	33.2
272.02994	2.0
282.01239	0.4
283.02286	0.6
284.03387	0.8
285.04056	9.0
286.04736	3.1
287.05466	0.8
298.01193	1.1
299.01959	65.4
300.02548	9.5
301.02957	0.7
312.99817	0.5
313.03531	17.2
314.04309	55.6
315.04950	11.8
316.05521	0.6
328.05835	3.8
329.06671	1.3
339.04956	0.5
623.15875	1.3
699.37860	0.5
753.41699	0.4
760.84894	0.5
799.20905	100.0
800.21246	20.8
828.83112	0.5
961.26715	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	961.262
Annotation	Unknow
Peak:m/z	Relative Intensity
70.67594	3.1
70.67937	3.9
71.01254	2.2
75.89234	1.5
77.47572	1.6
89.02296	2.5
114.97131	1.7
135.04399	1.8
151.00275	5.7
151.03972	1.8
157.72557	1.8
160.01529	3.5
161.02324	4.3
167.94624	1.9
168.68723	1.5
175.03944	2.0
178.99677	1.9
187.03986	1.9
199.03923	2.8
212.87064	1.8
215.03658	2.4
227.03435	5.1
242.02203	6.0
243.02919	17.2
255.02867	9.7
257.04553	3.6
270.01709	7.4
271.02505	22.4
272.03058	2.4
284.03140	2.2
285.03992	11.2
286.04797	2.2
299.01959	57.5
300.02625	9.2
313.03561	10.6
314.04300	54.0
315.04971	12.2
328.06003	2.7
349.87247	2.1
400.37329	1.8
589.42200	2.0
593.14563	2.3
799.20844	100.0
800.21375	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	963.6865
Annotation	Unknow
Peak:m/z	Relative Intensity
70.25181	0.3
73.02812	0.5
81.02833	0.2
81.03332	5.6
83.04897	15.2
83.89301	0.3
84.05247	0.3
98.20588	0.6
98.37495	0.3
101.02322	0.5
108.04455	0.4
115.71230	0.3
118.71585	0.3
123.80229	0.2
125.07085	0.7
126.05465	0.4
143.08141	0.4
151.11197	0.3
173.63730	0.3
195.10208	0.6
207.14996	1.4
224.17662	2.6
225.13766	0.5
225.16022	9.6
242.18637	0.7
271.02353	0.4
299.01947	0.5
309.21814	0.6
313.27094	0.3
314.04370	0.8
315.04901	0.5
324.26538	0.3
333.22925	0.3
341.29214	0.9
367.27100	1.3
417.17761	0.4
433.32156	1.3
450.34448	1.1
451.32858	8.1
452.33685	1.3
549.86908	0.3
550.43433	0.8
567.46143	0.8
623.15802	0.4
677.49890	2.0
678.50012	0.4
776.61212	0.5
885.65845	0.4
903.66492	100.0
904.66766	29.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	966.6603
Annotation	Unknow
Peak:m/z	Relative Intensity
69.55741	5.2
69.56153	6.0
83.04888	7.2
96.95861	2.0
165.05441	2.1
186.38400	2.1
195.02649	1.9
436.07651	2.2
447.56943	2.0
605.08203	2.3
745.20038	4.9
805.26678	3.0
848.45215	2.4
904.66846	3.7
905.67603	13.8
906.67432	40.9
907.67047	3.1
966.66083	100.0
967.66510	28.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	967.5636
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01257	21.9
72.99150	3.4
73.02831	3.1
78.34405	2.0
83.01217	2.7
85.02836	5.3
87.00740	5.3
89.02309	17.3
97.02847	2.7
97.67329	2.3
99.00732	3.0
101.01727	2.6
101.02299	14.2
113.02327	9.3
119.03423	7.1
125.02391	3.1
143.03342	2.3
146.17058	1.9
161.04474	3.5
165.12878	2.9
179.05528	5.6
190.07193	2.3
211.13368	3.1
231.19882	2.6
235.08243	3.3
247.20543	3.4
277.21689	48.3
278.22070	3.1
286.22800	2.5
291.19632	32.3
309.20697	100.0
310.21005	6.0
397.13492	46.1
415.14505	12.6
689.34070	9.3
707.35388	10.7
927.77051	2.4
950.30743	2.6
967.56964	8.5
968.56195	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	967.5635
Annotation	Unknow
Peak:m/z	Relative Intensity
69.66403	5.1
69.81538	25.7
71.01241	25.5
73.02818	6.2
89.02312	19.8
98.72168	5.7
99.44205	5.4
101.02319	15.8
102.56137	5.5
113.02325	12.2
119.03375	6.0
161.04466	8.5
174.86725	5.6
179.05435	6.2
196.19969	5.4
277.21634	44.7
291.19775	31.0
309.20758	100.0
379.85849	6.0
397.13330	46.5
403.44781	6.0
415.14648	8.6
419.21030	6.0
689.33881	10.6
707.34686	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	971.5946
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03314	1.7
71.01252	19.9
72.99173	1.6
73.02825	3.2
81.03319	0.7
83.01255	2.4
85.02834	4.3
87.00748	4.9
89.02318	18.5
95.01254	1.9
97.02825	3.7
97.29747	0.6
99.00756	1.1
101.01708	1.1
101.02326	16.6
109.02769	0.8
111.00735	0.6
111.04428	1.0
112.01559	0.7
113.01600	0.9
113.02332	8.4
119.03394	4.1
121.10113	1.2
125.02337	7.7
131.03384	0.8
139.03860	0.7
143.03351	2.7
149.04482	0.9
156.89842	0.5
161.04489	3.7
171.10193	2.3
179.05553	4.2
179.14302	1.3
195.13821	8.5
195.78340	0.6
196.14267	0.8
211.13306	1.2
217.06935	0.7
220.14655	0.8
221.06660	0.9
221.15431	1.9
223.13345	6.5
228.13503	1.0
235.08186	8.4
236.10483	1.7
253.09177	1.3
256.13034	1.6
263.07657	0.7
275.20151	7.7
279.23288	63.1
280.23602	5.1
287.07632	2.6
293.21222	100.0
294.18286	0.9
294.21530	9.8
305.08820	2.5
323.09659	1.3
397.13489	86.9
398.13940	6.3
415.14594	28.1
416.14740	1.6
650.56506	0.6
677.37775	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	985.5737
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03356	0.3
71.00877	0.1
71.01252	3.3
72.99226	0.4
73.02854	0.5
76.46069	0.1
81.03371	0.2
83.01307	0.3
83.04932	0.4
84.95917	0.1
85.02839	0.7
87.00754	0.6
89.02315	2.7
90.27781	0.1
92.31931	0.1
93.03391	0.1
94.30146	0.1
95.01311	0.2
95.04928	0.1
97.02802	0.6
97.06514	0.2
98.03690	0.1
99.00760	0.2
99.04453	0.1
101.02319	2.4
109.06528	0.5
111.00787	0.1
111.08039	1.6
111.08694	0.1
113.02328	1.2
119.03403	0.6
122.07304	0.1
123.08070	0.2
125.02328	1.1
125.06037	0.1
125.09615	0.6
127.07600	0.2
127.11186	1.3
129.09149	0.4
130.80183	0.1
137.02374	0.1
137.09612	0.3
138.25786	0.1
139.03874	0.1
139.07590	0.2
140.08324	0.2
141.09138	0.2
143.03413	0.3
149.04604	0.1
149.09650	0.3
151.07568	0.2
151.11211	1.0
153.09163	0.8
153.12753	3.4
154.13063	0.1
155.10701	1.0
155.14259	0.1
161.04463	0.6
161.09592	0.2
163.11143	0.2
164.26328	0.1
165.12738	0.7
166.09918	0.1
167.10695	1.6
169.12251	0.8
177.12738	0.2
179.05516	0.6
179.10721	0.6
179.14333	1.8
181.12256	2.8
181.13762	0.1
189.12907	0.2
191.14352	0.2
193.15828	0.6
195.10236	0.1
197.11745	1.9
199.13292	0.9
207.13814	2.0
208.14252	0.2
213.14977	0.2
215.12839	1.0
217.15910	0.4
219.17467	0.2
221.06598	0.1
225.11389	0.2
226.12088	0.5
227.12778	1.0
228.13588	0.5
229.19614	0.2
231.17551	0.2
235.08185	1.3
239.37042	0.1
241.14478	0.2
245.19060	0.2
247.20612	3.8
248.21094	0.2
253.09332	0.2
253.21767	0.2
263.07761	0.2
263.20068	0.6
265.21677	0.6
273.18582	2.0
274.18839	0.2
275.16302	0.1
277.21716	7.2
278.22064	0.5
281.21210	1.3
287.07755	0.4
291.19650	24.8
292.20035	1.7
305.08749	0.5
309.20685	100.0
310.21048	6.1
323.09830	0.1
397.13470	11.9
398.13934	0.6
415.14557	4.3
416.15137	0.2
599.82855	0.1
675.35486	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	987.5898
Annotation	Unknow
Peak:m/z	Relative Intensity
69.89869	1.1
71.01248	1.1
82.26066	0.3
89.02305	0.8
95.48026	0.3
97.06470	0.4
99.08005	0.3
101.02329	1.1
103.60734	0.3
113.02291	0.3
113.09582	0.6
115.07595	0.6
127.07587	0.5
128.08339	0.4
167.14342	2.0
183.13788	1.6
195.13840	7.8
196.14249	0.4
211.13414	0.8
212.41191	0.3
213.14948	1.5
225.92694	0.4
235.08183	0.6
242.15182	0.8
249.22086	0.3
265.21524	0.4
267.23190	0.3
275.20142	0.6
277.21719	2.9
293.21246	5.6
294.21500	0.6
310.34561	0.3
311.22266	100.0
312.22601	7.0
359.44467	0.4
397.13541	4.3
398.13699	0.4
399.53992	0.3
415.14548	1.3
416.14355	0.4
687.34821	0.4
723.39642	0.4
757.73535	0.3
893.52869	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	991.2724
Annotation	Unknow
Peak:m/z	Relative Intensity
69.66401	1.4
71.01251	0.4
77.44691	0.3
82.61835	0.2
83.01286	0.6
91.01743	0.3
95.48795	0.3
98.19804	0.5
101.02312	0.3
107.01250	1.5
121.02882	0.4
123.00801	0.3
130.33717	0.2
143.04890	0.5
145.02838	0.7
147.00760	0.4
148.01599	0.5
149.02290	1.5
150.03110	0.9
151.00273	4.8
151.03554	0.3
152.01004	0.5
153.01816	0.3
155.04984	0.4
157.02835	0.3
159.04327	0.3
161.02415	0.3
163.03993	0.3
164.04605	0.6
165.01871	0.8
165.05487	0.4
169.01361	0.4
169.02823	0.4
171.04414	0.6
175.00302	0.9
175.03854	0.3
176.01053	2.1
177.01859	0.5
178.99792	1.0
183.04449	0.9
185.02293	0.4
187.03972	0.6
189.01889	0.4
190.02617	1.8
191.03415	2.7
194.02042	0.5
195.06625	0.3
197.46957	0.2
198.03165	0.4
199.03941	4.5
201.01854	0.5
203.03432	0.6
205.04984	1.3
209.04456	1.1
211.03944	0.7
213.01775	0.2
213.47820	0.2
214.02632	0.8
215.03418	2.0
216.57431	0.3
223.06146	0.4
226.02689	0.7
227.03458	4.5
228.03812	0.4
241.01370	0.6
242.02148	6.9
243.02942	17.2
244.03313	1.0
245.00980	1.2
253.01363	0.3
254.02269	0.7
255.02968	9.1
256.03433	0.8
257.04504	2.8
258.05246	0.3
269.04529	0.6
270.01691	8.0
270.04669	0.5
271.02460	25.0
272.02899	2.2
283.02509	0.3
284.03214	0.4
285.04016	8.0
286.04709	2.4
287.05545	0.8
298.01193	1.2
299.01956	46.8
300.02563	6.5
301.02972	0.5
313.03525	17.4
314.04297	40.9
315.04941	9.4
316.05365	0.8
328.05829	5.5
329.06403	1.7
357.05850	0.3
384.82175	0.3
473.24164	0.3
623.16394	0.8
637.17413	0.4
829.21954	100.0
830.22260	20.4
830.38965	0.4
871.23425	0.5
991.27252	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.0983
Annotation	D-Fructofuranose 1,2':2,3'-dianhydride
Peak:m/z	Relative Intensity
59.01252	53.3
65.84691	2.1
69.03320	19.0
69.57870	5.0
69.58273	9.6
71.00896	4.3
71.01256	68.1
72.99186	3.6
73.02445	3.6
73.02823	39.6
77.71340	3.0
81.03300	3.7
83.01265	4.2
85.02825	24.8
87.00763	6.1
89.02322	28.8
97.02831	10.9
99.00755	5.9
101.02322	100.0
113.02328	18.2
115.03896	7.4
118.53054	2.4
119.03345	9.4
125.02328	15.2
131.03436	4.6
143.03387	9.8
143.80049	2.5
148.49565	2.3
154.67493	2.6
158.97186	2.4
161.04482	15.4
179.05519	7.8
185.00752	6.2
194.01717	2.4
213.01424	2.6
221.06590	14.1
241.46262	2.7
323.09805	6.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.0984
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	100.0
69.03316	9.7
70.86801	10.8
70.87128	6.4
71.01258	64.2
73.02834	7.5
83.01254	11.9
84.13234	5.8
85.02824	18.7
87.00752	9.5
89.02320	42.8
93.03338	30.3
95.01245	8.9
96.95898	8.0
97.02802	6.9
99.00760	50.7
101.02320	33.4
108.01989	6.0
111.00708	9.9
113.02314	31.5
115.25478	5.6
117.03345	7.1
119.03402	6.1
119.04924	29.5
121.97550	5.6
125.02328	9.7
131.03409	10.8
131.04904	14.3
132.05679	12.4
133.02826	14.1
133.06544	8.4
143.04874	15.2
145.02875	7.9
145.06523	34.5
147.04424	96.5
149.05963	11.4
159.04364	8.9
160.05167	8.7
161.04503	8.5
161.05965	16.2
163.07629	10.0
169.06523	15.9
171.04329	7.1
173.05986	22.6
175.03893	26.8
175.07538	10.1
177.05505	19.4
185.04488	7.8
187.07562	48.5
189.05443	37.6
190.21237	6.2
191.07074	17.1
193.05058	6.9
201.05484	35.3
203.03395	19.7
205.04994	19.2
219.06575	31.1
221.04553	36.8
221.06310	6.6
243.06548	6.8
263.05637	46.9
279.08755	6.9
323.07578	35.1
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	Rapanone
Peak:m/z	Relative Intensity
57.03327	3.5
59.01247	3.1
61.98678	1.4
69.03318	1.6
70.04911	5.5
71.01254	1.8
71.04890	100.0
72.05216	2.0
73.02829	2.9
81.03324	3.2
83.04873	3.0
85.70904	1.5
94.70200	1.4
95.04922	2.4
97.06480	3.4
97.39609	1.7
100.04476	1.4
109.06489	3.4
137.05997	3.1
151.11227	10.4
191.14281	4.4
193.12318	3.0
193.95183	1.6
200.71307	1.7
217.12369	2.2
225.14841	3.0
233.15417	9.9
249.14941	9.7
265.18057	6.9
289.18048	7.1
306.18369	15.3
321.20706	59.3
322.20993	7.7
325.06665	1.5
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	Rapanone
Peak:m/z	Relative Intensity
59.01249	13.4
63.52988	2.5
71.04885	29.2
81.03320	9.1
83.04882	6.1
93.03321	3.0
97.06484	3.1
109.02840	9.0
109.06466	7.2
111.04401	56.5
125.05994	4.1
127.07530	4.8
131.00835	2.8
137.05997	8.2
137.09593	4.8
141.09059	4.5
149.06030	3.6
149.09618	5.7
151.07498	3.9
160.10518	3.1
163.07664	3.4
167.64474	2.8
168.90825	3.4
169.12253	3.0
177.12781	28.2
195.13762	3.2
233.15413	6.2
235.13414	6.6
249.14888	5.7
250.74516	3.2
285.64725	3.4
289.18048	21.0
303.19370	4.0
306.18515	7.9
321.20706	100.0
322.20978	11.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.0804
Annotation	Unknow
Peak:m/z	Relative Intensity
54.92270	0.9
59.01250	14.6
61.01678	0.9
66.99246	1.0
71.01263	7.0
85.02842	1.3
85.60622	1.1
89.02333	3.3
95.01278	1.0
96.95895	100.0
97.02951	0.9
99.00790	1.0
101.02347	2.9
113.02352	2.4
119.03357	1.7
161.04463	2.5
161.08057	1.2
179.05565	1.2
201.40367	1.0
243.12517	1.1
308.07004	1.6
323.08334	7.7
323.13354	1.5
328.83923	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.0459
Annotation	2,3-Dihydrogossypetin
Peak:m/z	Relative Intensity
57.03324	19.2
59.01254	5.2
65.00198	9.3
68.75446	2.7
68.99699	3.7
69.03324	4.1
70.09265	11.9
71.01260	9.5
72.22439	2.7
79.01783	4.1
81.03348	9.7
83.01258	19.6
85.02807	5.4
93.03371	10.8
93.38855	3.4
95.01266	16.8
95.04885	3.8
96.95889	4.5
97.02828	10.3
99.00114	2.8
99.00756	88.0
107.01277	15.0
109.02837	24.2
109.99996	9.9
111.00802	18.4
113.02348	5.9
119.04919	3.1
121.02827	19.2
123.00761	31.5
123.04423	18.9
124.01534	4.5
124.98708	4.9
125.01439	6.3
125.02338	100.0
135.04410	10.9
137.02348	25.2
139.00247	25.4
139.03903	15.8
140.01007	5.1
141.01831	73.8
143.04971	5.3
145.02948	5.2
147.00824	4.0
147.04445	12.8
149.02350	35.4
150.03070	3.7
151.00273	40.2
151.03928	30.4
152.01045	9.7
153.01836	18.1
155.81139	3.0
159.04482	8.4
161.02365	9.2
161.05988	4.0
163.00285	9.7
163.03879	6.6
164.01073	4.0
165.01852	13.1
166.99777	16.5
168.00566	8.9
169.01292	8.5
174.03093	5.8
175.00317	4.0
175.03949	21.8
176.04341	3.6
177.01859	21.4
178.99800	28.7
181.01337	9.2
183.04546	4.9
185.05998	5.0
187.03983	6.7
188.01294	3.6
189.01880	3.6
190.02605	3.9
190.99771	4.8
191.03456	20.3
193.01360	38.7
194.99287	11.3
197.01031	4.2
199.04059	3.7
201.05347	3.8
203.03577	5.0
205.05070	6.0
211.03925	4.4
214.02660	5.4
215.03456	11.2
219.02925	36.7
227.03423	6.1
229.04999	16.6
233.04453	9.5
247.06071	8.1
255.03065	5.9
257.04492	22.5
273.04047	13.1
283.02655	5.7
291.05075	13.7
301.03561	72.1
302.03885	5.8
319.04581	89.1
319.21249	6.1
320.04938	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	315.2174
Annotation	Unknow
Peak:m/z	Relative Intensity
51.81281	0.7
53.84538	0.9
57.03315	2.0
59.01236	1.7
69.43998	5.6
71.01250	1.9
83.04896	1.3
85.02819	1.1
85.06467	6.8
113.09600	5.2
123.04404	2.5
125.09607	18.3
126.09957	1.3
127.11172	2.3
127.55103	0.8
141.09135	1.6
143.10658	2.0
145.02820	1.3
153.05470	3.1
167.14326	1.0
171.10182	39.1
172.10626	1.1
183.13783	2.5
211.13336	12.2
229.14391	6.2
241.26483	0.9
249.86000	0.8
271.02454	1.6
279.19528	2.0
300.02753	4.5
309.59427	0.9
315.05161	3.1
315.21744	100.0
316.22098	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	315.254
Annotation	9,10-Dihydroxystearic acid
Peak:m/z	Relative Intensity
52.62603	0.6
55.21732	0.5
55.37835	0.5
59.01238	1.0
61.76249	0.5
71.26482	0.4
74.04374	0.5
75.65578	0.5
93.03326	0.5
102.01475	0.5
106.28432	0.5
113.09613	4.3
122.60880	0.5
123.04390	2.5
143.10698	1.4
145.02956	0.7
153.05521	2.8
155.14311	2.0
171.13821	1.3
180.45279	0.5
183.13843	1.3
185.15474	0.6
199.13338	2.1
229.14493	1.2
229.55321	0.5
279.23285	2.1
295.22754	1.4
297.24356	10.5
298.24765	0.7
300.02884	1.2
313.23947	4.7
315.05164	1.9
315.25391	100.0
316.25720	8.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.2385
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50613	0.4
57.03317	0.5
59.01266	2.4
70.91554	0.9
71.01241	0.7
71.04900	1.1
77.14326	0.4
81.68681	0.4
89.02348	0.9
99.08053	1.4
118.36317	0.4
119.03385	0.5
121.02804	0.6
125.02330	0.4
125.09644	0.4
127.11177	1.7
131.48781	0.4
139.11183	1.6
141.12746	1.6
154.09848	0.6
155.10776	0.5
169.15938	1.0
171.10161	0.8
201.11261	5.1
202.11719	0.5
205.74153	0.4
213.14981	0.5
248.82123	0.4
268.59366	0.5
293.21326	1.6
295.22769	5.0
296.23294	0.5
311.22333	0.9
313.23856	100.0
314.24203	9.2
314.27426	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.051
Annotation	Isorhamnetin
Peak:m/z	Relative Intensity
55.86142	0.6
59.01239	2.2
63.02265	5.6
65.00196	3.7
71.01245	2.7
71.45432	1.4
73.02808	0.7
77.64159	0.6
83.01254	5.7
83.08828	0.7
89.02304	0.7
101.02306	1.5
107.01273	9.7
108.02050	2.7
120.02045	0.7
123.04397	1.3
124.01559	1.8
136.01550	1.4
146.22478	0.7
148.01547	3.1
149.99472	1.1
151.00270	17.2
152.00995	1.3
153.05481	2.2
163.00264	3.1
164.01076	6.2
169.01341	2.0
183.04494	0.8
189.01921	1.1
200.04732	0.7
203.03403	0.7
211.04010	0.9
215.03450	1.2
216.04109	1.6
227.03464	3.4
232.39008	0.7
243.02924	2.9
244.03728	1.3
255.02930	3.4
271.02490	6.2
272.03275	1.1
283.02551	3.9
299.01920	0.9
300.02740	69.5
301.03146	5.2
315.05106	100.0
315.21686	1.5
316.05417	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	315.0511
Annotation	Unknow
Peak:m/z	Relative Intensity
71.02502	1.3
76.03474	0.7
80.38271	0.7
98.20090	1.0
102.94333	0.6
107.01327	0.8
108.02094	2.1
111.02723	0.7
148.01575	2.8
151.00276	1.5
153.05431	0.9
163.00327	1.0
164.01091	1.9
195.69955	0.7
199.03967	1.2
226.02727	1.4
227.03444	3.0
233.92453	0.8
243.02986	12.8
244.03441	0.7
254.02138	2.0
255.02971	25.6
256.03320	1.8
270.08066	0.7
271.02475	61.0
272.02933	6.4
299.02014	1.3
300.02753	100.0
301.03055	8.6
315.05109	43.2
316.05344	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	315.0722
Annotation	4-(beta-D-glucosyloxy)-3-hydroxy-benzoic acid
Peak:m/z	Relative Intensity
65.42072	1.2
66.55196	1.4
71.00391	2.3
71.00715	1.4
71.01244	2.3
76.51667	1.4
85.02837	2.2
95.01250	3.0
106.05000	1.4
108.02052	98.5
109.02845	26.9
113.02322	2.0
123.00822	1.8
151.03946	2.3
152.01056	69.2
153.01849	32.5
153.05429	3.6
154.02155	2.4
156.63318	1.6
165.01822	2.9
276.70679	1.5
288.45215	1.5
315.07211	100.0
316.07474	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	313.0719
Annotation	5,7-Dihydroxy-3',4'-dimethoxyflavone
Peak:m/z	Relative Intensity
59.01250	6.9
59.87688	1.2
61.98696	2.8
62.95985	1.2
68.51135	1.1
68.78762	1.3
69.25943	6.5
69.26363	4.5
71.01260	1.7
75.00767	1.6
84.61867	1.3
85.02808	2.4
89.02312	3.7
95.40514	1.3
98.19786	2.5
101.02331	3.0
117.03316	12.5
118.03601	1.6
119.03419	1.4
121.02837	15.7
135.00768	4.1
136.98738	1.4
149.12202	1.5
151.06213	1.8
159.04434	2.2
161.04417	1.6
163.00310	16.4
164.98193	4.7
183.04422	4.3
185.02415	2.7
211.03954	3.1
211.33566	1.3
227.03435	6.0
255.02937	20.5
280.52280	1.4
283.02469	100.0
284.02768	7.7
298.04822	78.0
298.07660	1.8
299.05103	7.4
313.07172	62.9
313.10773	2.6
313.20212	5.3
313.23688	1.9
314.07510	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	313.2383
Annotation	(plusmn)12,13-DiHOME
Peak:m/z	Relative Intensity
57.88324	1.1
59.01254	5.1
61.98691	1.4
69.19670	4.7
69.20103	4.9
71.01256	2.8
89.02322	2.6
94.32935	1.0
99.08018	3.9
101.02341	1.5
114.11681	1.0
119.03372	1.2
121.02821	3.1
123.00903	1.0
131.75877	1.0
139.11180	2.4
145.02831	1.2
161.04587	1.2
163.00351	1.3
171.10146	1.2
185.11749	3.8
199.13298	2.1
243.16090	1.1
253.09225	1.6
255.02838	1.3
277.21646	1.3
283.02457	2.9
293.21127	2.4
295.22739	8.6
298.04776	2.3
313.07092	2.7
313.23837	100.0
314.24152	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	313.2385
Annotation	Unknow
Peak:m/z	Relative Intensity
50.87364	0.5
57.03333	0.5
59.01234	2.1
64.55434	0.4
69.12862	0.5
71.01244	1.0
71.04884	2.2
83.04880	1.3
89.02305	1.6
101.02315	0.5
107.06374	0.5
113.09602	1.9
121.02834	0.8
125.09592	1.3
127.11170	2.2
139.11124	0.6
141.12717	2.3
155.14313	1.1
161.13824	0.5
171.10168	3.6
183.13791	0.5
199.13400	0.7
249.22391	0.5
251.23782	1.2
253.09209	0.9
267.23059	0.7
283.02588	0.5
293.21191	1.8
295.22687	3.3
299.17386	0.5
311.22382	1.1
313.23822	100.0
314.24182	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	311.2228
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	5.1
69.81276	3.9
69.81750	0.7
71.04853	0.9
88.55188	0.9
115.07513	1.1
143.58017	1.0
167.14317	3.8
171.10046	0.9
183.01112	2.3
183.13773	2.8
195.13852	10.1
196.14235	0.9
211.13466	1.0
242.15149	1.0
267.23328	1.7
293.21204	9.3
311.13095	3.0
311.17154	4.2
311.22263	100.0
312.22519	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	313.0719
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	3.3
60.01608	0.7
61.65265	0.6
61.98705	1.0
70.86349	1.1
71.01261	1.5
83.04871	0.7
89.02322	2.0
101.02323	1.0
105.18182	0.7
111.08027	1.5
121.02847	100.0
122.03178	2.4
139.11180	1.3
180.05719	1.2
181.06503	3.9
195.13937	0.7
218.24168	0.6
225.05496	6.3
255.06606	1.6
283.03214	0.8
283.06091	4.8
295.19131	0.9
298.08456	2.1
312.22220	0.7
313.03696	0.7
313.07211	12.9
313.10944	2.6
313.14407	0.8
313.20276	3.7
313.23865	12.8
314.07504	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.0718
Annotation	Unknow
Peak:m/z	Relative Intensity
56.57488	2.7
59.01244	18.7
60.64617	3.1
61.73064	3.4
71.01271	7.5
71.44954	2.7
71.53145	4.1
78.35147	2.9
89.02318	9.3
93.03320	8.9
99.08048	4.3
101.02293	6.9
106.43537	2.9
107.20985	3.1
109.02831	4.4
117.03327	12.4
117.05447	8.4
119.03391	4.5
120.24536	2.5
121.02818	11.2
135.00786	6.8
151.06155	4.2
163.00293	15.8
164.98096	3.5
171.21486	3.1
178.25496	3.1
181.12364	5.4
185.11743	6.5
213.11316	5.0
227.03423	8.3
237.18755	3.2
243.15808	3.1
245.19067	6.0
253.09428	3.8
255.02910	23.1
282.99445	6.5
283.02460	87.2
284.02841	9.5
295.19382	5.9
295.22815	5.3
298.01434	4.3
298.04840	73.7
298.08221	2.7
299.05161	5.8
313.07257	54.7
313.10745	5.8
313.17914	63.5
313.23804	100.0
314.18304	5.1
314.23972	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	311.2228
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01263	4.1
59.27050	0.9
70.85597	1.8
95.28794	0.9
97.06478	1.0
125.09599	3.1
141.09097	2.1
153.09138	1.8
155.14334	2.1
171.10126	1.9
183.01099	1.1
200.10469	2.6
249.22108	1.7
265.21652	2.0
267.23029	1.8
293.21277	8.3
311.16541	2.5
311.22275	100.0
312.22504	8.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2227
Annotation	Unknow
Peak:m/z	Relative Intensity
53.16091	0.6
59.01238	1.1
59.47561	0.5
68.70535	0.5
70.29525	1.1
71.04864	1.3
80.02545	0.6
83.04903	1.0
84.02029	0.9
98.20036	0.8
98.20560	0.7
110.28579	0.5
112.27789	0.5
125.09578	0.6
139.11211	0.6
171.10226	1.0
177.12750	0.8
179.14351	1.6
195.13887	0.6
199.13293	0.6
205.12257	0.6
209.11899	0.6
211.13501	0.8
223.13354	43.7
224.13754	2.7
241.14304	1.7
265.67334	0.5
291.19958	1.1
293.21191	7.0
311.22266	100.0
312.22656	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	311.2228
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03327	2.7
59.01243	6.8
71.32961	1.7
83.04909	1.9
113.09576	1.2
121.10081	1.7
125.09595	3.5
127.11156	4.9
129.09076	1.0
139.11195	14.4
155.10674	3.0
169.12218	1.5
171.10179	68.5
172.10535	3.2
183.10188	5.0
183.13820	1.3
185.11758	10.7
197.11784	3.6
199.13365	2.2
201.11290	12.9
211.13289	5.3
249.22092	1.0
275.20157	5.2
293.21219	20.5
311.22281	100.0
312.22684	9.7
318.93314	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.1867
Annotation	(+)-Neomethynolide
Peak:m/z	Relative Intensity
57.03312	0.6
59.01255	4.3
61.58924	0.5
61.98695	0.6
62.40939	0.5
70.68797	1.0
71.01269	0.4
71.26552	0.4
73.02840	0.4
90.58009	0.6
121.02853	1.5
122.03635	1.1
131.35400	0.5
136.05206	0.9
167.14381	2.6
201.71849	0.4
207.17496	0.9
223.20625	2.1
231.17592	0.6
233.15553	0.7
249.18555	5.0
251.11311	0.6
267.19666	100.0
268.19998	8.5
275.16522	8.0
276.16785	0.9
293.17612	37.2
293.20743	1.6
294.18048	3.5
311.18646	31.1
311.22229	7.2
312.18985	2.8
312.22476	1.0
330.54578	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2229
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01759	0.6
57.03321	0.6
59.01251	0.6
71.04893	3.3
71.45634	0.8
79.66085	0.4
83.04916	1.0
84.02020	0.9
93.96443	0.4
97.06464	0.5
111.01613	0.4
111.08065	0.6
116.55730	0.4
118.55261	0.5
125.09595	1.6
127.11202	1.8
139.11180	0.9
155.14355	0.8
165.12721	1.0
171.10207	5.1
172.10530	0.6
173.10628	0.5
183.13773	1.2
191.26501	0.5
209.11792	2.1
227.12746	0.6
243.15936	1.1
249.22102	0.7
291.19852	1.0
293.21216	3.6
311.22284	100.0
312.22641	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	309.207
Annotation	Unknow
Peak:m/z	Relative Intensity
53.56054	3.5
57.03318	4.2
59.01248	22.3
61.98713	4.2
70.91537	4.3
70.91876	5.0
71.01250	10.4
85.02821	6.4
89.02317	3.7
101.02318	7.0
113.09597	5.8
121.10125	15.8
129.05460	4.7
129.33308	3.4
151.07581	4.6
161.04495	6.3
165.12720	3.5
171.10141	9.0
181.12361	3.7
185.11748	41.7
187.09706	11.6
195.10135	10.5
197.11794	6.1
251.16498	6.4
291.16391	4.4
291.19644	92.4
292.20053	10.8
309.11661	6.3
309.17136	8.6
309.20642	100.0
310.21027	7.2
330.41666	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	311.1137
Annotation	Unknow
Peak:m/z	Relative Intensity
55.84562	0.7
56.72205	0.7
57.03311	0.9
59.01250	100.0
60.01574	1.3
62.11526	0.7
71.01254	7.3
73.02821	2.2
74.67496	0.7
76.81358	0.8
83.01278	0.9
85.02827	4.0
90.05230	0.8
98.20593	1.1
101.02286	4.1
104.60973	0.7
104.80007	0.8
106.41619	0.7
113.02315	2.3
133.86739	0.8
161.04462	3.5
269.10278	3.0
311.29416	1.2
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
57.03321	2.3
59.01250	10.8
61.98722	1.7
64.18461	1.4
65.62643	1.2
71.01261	5.8
71.04900	13.7
71.20267	1.7
72.99192	1.4
73.02815	2.0
80.96387	1.1
83.04892	1.6
85.02827	2.4
91.09100	1.3
94.81693	1.4
95.01276	1.5
95.04935	1.5
97.06470	6.3
99.00764	14.0
99.08105	1.3
101.02344	3.0
104.76396	1.1
111.08024	3.9
121.10107	3.4
123.08043	1.4
125.09654	1.8
127.92580	1.3
137.09618	8.6
151.03905	1.4
151.07524	2.5
152.08371	2.7
171.10184	29.3
185.11778	3.5
187.09618	2.3
197.11694	4.0
198.99448	1.3
208.11024	1.3
209.15340	6.2
210.29355	1.2
211.13322	4.0
225.14934	3.1
237.14949	3.6
247.16911	1.3
247.20586	3.1
251.16521	10.8
265.17822	1.6
273.18564	2.0
289.52991	1.5
291.19678	51.3
292.19971	5.1
302.02762	1.5
309.17416	5.1
309.20688	100.0
310.20914	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	309.2073
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03327	4.7
58.80532	1.6
59.01249	16.4
61.98704	10.3
66.47607	1.6
70.51815	5.5
71.01250	6.6
71.04897	16.5
73.02827	2.7
81.05309	1.6
85.02845	2.7
97.06456	6.8
101.02311	3.5
116.47030	1.6
120.05773	1.8
121.10155	10.7
125.09624	10.7
135.07980	1.8
137.09624	21.3
147.06596	2.4
150.48155	1.9
162.99098	1.7
171.10196	44.3
176.04192	1.8
181.12248	3.6
185.01637	2.0
185.11766	15.5
187.13150	1.7
197.11813	3.8
219.13971	2.6
221.15573	3.1
235.17046	2.5
237.14905	2.1
239.16481	2.1
247.20583	3.2
251.16504	44.8
252.16875	3.3
273.18619	3.7
291.19678	100.0
292.20035	9.4
309.07236	2.1
309.17215	9.1
309.20682	84.7
310.20999	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	309.207
Annotation	9(S)-HpOTrE
Peak:m/z	Relative Intensity
57.15598	1.0
59.01248	2.9
71.01237	1.5
107.05029	1.0
111.08055	2.2
125.09660	1.4
127.11174	1.8
137.09587	1.0
140.89859	1.1
141.09174	1.1
150.53070	1.2
151.03909	1.2
151.07556	1.9
151.11140	1.6
152.08275	1.6
153.09055	1.3
153.12752	3.3
163.11285	1.7
167.10663	1.3
169.12239	1.3
169.78447	1.3
179.10579	1.4
179.14384	1.6
181.12257	4.0
193.15848	1.9
197.11800	3.1
199.13315	1.4
207.13831	1.8
209.15387	2.3
215.12772	1.5
236.75673	1.2
241.81905	1.0
247.20682	7.2
250.00104	1.1
263.20209	1.1
273.18472	2.7
281.21182	2.1
291.19669	42.9
292.19986	4.7
309.17389	4.8
309.20682	100.0
310.20990	10.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2071
Annotation	Unknow
Peak:m/z	Relative Intensity
51.12101	1.2
54.08435	1.3
57.03297	1.9
58.00441	1.5
59.01245	2.5
59.25469	1.3
68.31807	1.4
69.03324	3.6
70.81836	2.6
73.02782	1.9
86.60934	1.4
91.48191	1.5
111.08046	33.0
112.08385	1.8
119.08573	4.4
124.60294	1.4
124.79943	1.4
127.07518	1.4
135.07988	1.7
137.09608	7.2
151.03941	1.6
151.11186	3.3
152.08327	3.2
153.08965	1.6
153.12691	2.3
155.10654	1.4
167.10686	2.0
169.12288	7.2
171.10188	23.1
172.10397	1.4
181.12286	2.1
183.13855	1.9
185.11702	7.6
197.11761	100.0
198.12161	7.7
199.13336	4.4
209.15401	3.2
211.13321	13.4
213.11269	3.1
227.12762	2.3
229.19530	1.9
247.20737	2.1
263.20267	8.5
265.17990	2.8
273.18546	3.5
291.19626	33.0
292.20056	2.7
309.17218	4.2
309.20682	57.0
310.20999	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	309.207
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03319	0.9
59.01246	1.0
71.01920	1.7
83.04866	1.0
87.22800	0.7
93.54442	0.7
97.06473	2.3
104.99825	0.8
123.08042	1.3
125.05983	0.9
125.09601	3.0
127.11160	0.8
132.18590	0.9
137.09541	0.9
139.11157	1.2
141.09111	2.7
145.88304	0.7
153.09102	2.1
155.10690	1.2
155.14372	1.3
157.64063	0.7
165.12776	1.5
171.10185	3.3
181.12216	1.4
183.13818	1.5
185.11795	1.1
195.13776	0.8
199.09743	4.3
200.10487	5.3
201.11255	2.4
211.13295	1.6
234.90962	0.8
235.85324	1.0
247.20650	6.8
265.21710	2.3
273.18619	1.7
281.21368	1.5
291.19678	21.2
292.19946	1.6
309.20709	100.0
310.21036	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	309.207
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03330	2.9
59.01241	3.5
59.20667	2.1
61.49316	1.9
69.03313	5.2
70.40376	5.3
83.27768	1.6
98.92242	2.0
107.08541	2.7
119.08550	13.7
120.82914	1.7
125.09609	9.1
127.11164	2.7
135.08047	4.2
137.09616	29.3
138.09987	2.1
152.08339	2.8
155.10709	5.6
165.21193	1.7
167.10681	3.7
171.10175	100.0
172.10532	4.4
183.10135	4.2
185.11742	23.1
197.11734	5.1
201.11276	6.9
211.13408	2.1
213.11208	10.7
229.19504	2.0
273.18607	9.2
286.66281	1.8
291.19672	35.4
292.20020	5.0
309.17307	4.3
309.20660	41.6
310.20999	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	309.2073
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03324	2.9
59.01250	14.5
61.98706	2.4
67.51395	1.4
67.56821	1.3
69.03310	4.1
69.99700	6.2
71.01246	3.4
71.04890	4.5
73.02811	2.5
77.14563	1.3
78.86941	1.5
83.04899	2.3
85.02824	3.9
87.04385	1.9
97.02820	7.0
97.06454	2.4
101.02319	3.4
113.02314	2.0
121.10139	3.8
125.09611	1.6
137.09627	4.3
143.07054	3.4
147.11668	2.2
151.07573	1.6
160.38843	1.5
161.04414	1.8
165.12708	2.1
169.08572	2.6
171.10194	6.3
185.11723	4.3
195.13782	8.1
197.11737	2.3
207.13867	1.9
207.17494	2.0
209.15317	2.9
211.13385	11.1
221.15387	4.7
223.13330	2.5
223.16991	14.7
233.15495	7.6
247.20660	4.4
251.16513	57.9
252.16814	3.5
273.18643	5.2
291.19693	66.8
292.19974	6.6
309.11841	3.6
309.17493	5.1
309.20709	100.0
310.21078	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	309.2071
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23087	2.4
57.62647	2.0
59.01241	2.4
67.29234	2.3
69.03335	2.6
70.82282	5.0
80.29913	1.9
85.02841	2.3
85.18028	2.1
90.90321	2.3
95.01251	2.7
97.02843	5.9
99.00768	4.6
119.08535	6.4
125.09578	4.4
137.09619	8.6
151.03943	18.2
151.07544	26.1
152.08368	33.4
153.08846	2.0
163.11165	2.5
165.12753	5.2
171.10178	27.6
181.12270	2.6
184.07362	4.6
185.11755	6.1
190.09999	2.9
193.08650	4.2
195.10103	2.4
201.11240	5.1
208.11041	4.7
209.15433	45.0
210.15768	4.4
211.13464	3.1
213.11351	3.4
247.17059	3.6
247.20729	6.1
252.09995	8.4
265.18097	10.8
273.18549	5.1
282.40723	2.1
291.16376	3.9
291.19662	80.1
292.19934	7.8
309.17038	86.7
309.20706	100.0
310.17438	8.9
310.21033	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	309.2074
Annotation	6,9-Octadecadienedioic acid
Peak:m/z	Relative Intensity
57.03321	6.3
59.01247	22.1
61.98709	4.7
63.14663	3.5
71.01257	11.1
71.46610	4.3
79.95632	4.3
83.04883	3.1
96.95918	7.2
97.06512	3.5
98.20556	8.8
101.02331	5.3
113.10071	3.7
117.80697	3.3
118.51707	3.3
123.08053	7.1
125.09613	10.1
137.09608	6.7
139.11250	4.0
148.71902	3.1
151.03886	10.2
151.07529	20.1
152.08356	16.2
155.10716	11.2
161.04564	4.3
171.10228	25.4
180.13368	3.4
184.07310	4.4
185.11780	19.5
206.80084	3.6
209.15401	31.9
211.13477	4.0
225.02692	11.3
229.14696	5.0
238.55069	3.7
247.20695	8.5
252.10078	5.0
265.17978	7.7
281.21149	4.0
291.19647	47.1
292.20114	5.3
293.08896	21.4
309.11957	3.8
309.17099	50.2
309.20737	100.0
310.17618	7.0
310.20944	7.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1915
Annotation	14,15,-Bisnor-8(17)-labdene-16,19-dioic acid
Peak:m/z	Relative Intensity
55.61996	2.7
59.01242	23.3
70.02775	9.8
71.01248	10.0
71.55749	2.8
73.02827	3.8
73.44528	3.0
85.02838	6.1
90.35127	2.9
97.06464	5.3
98.20587	2.8
101.02344	5.8
103.03900	3.4
109.32700	2.6
121.06459	3.2
125.09635	6.0
127.07414	2.3
137.09637	5.7
153.09055	5.0
155.10674	6.0
161.04422	6.3
163.05968	2.9
163.11203	5.1
167.10677	3.2
169.12250	2.9
177.12894	2.9
179.03441	4.1
185.11760	13.7
189.28650	2.4
191.14363	4.5
197.11697	2.5
239.09279	3.4
245.19133	20.2
263.20148	8.8
271.17239	3.9
289.18076	37.4
307.10333	9.3
307.19153	100.0
308.19513	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	307.2279
Annotation	Isoobtusilactone A
Peak:m/z	Relative Intensity
50.85139	9.1
52.55098	8.7
53.31820	10.1
56.65736	9.7
59.01237	32.1
69.72525	9.1
69.83006	42.9
71.01250	12.9
73.02740	8.8
103.03872	9.4
113.76263	9.3
143.25034	11.4
145.30154	9.5
161.04544	11.2
203.09172	10.0
304.22189	11.2
307.19229	17.1
307.22614	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1913
Annotation	14,15,-Bisnor-8(17)-labdene-16,19-dioic acid
Peak:m/z	Relative Intensity
57.03316	5.5
57.64705	2.4
59.01252	22.9
64.55328	2.3
71.01258	13.1
72.99166	2.4
73.02821	3.6
83.04910	3.2
89.02277	2.8
97.02811	3.5
97.06452	9.8
101.02325	4.5
103.03861	2.9
108.02120	2.7
111.08048	3.6
123.04436	3.6
137.02293	2.4
137.09630	3.3
141.09134	5.1
151.11197	6.9
155.10657	5.8
161.04430	4.8
163.07416	2.5
163.11153	5.4
165.12769	12.3
179.10718	4.7
181.12239	9.1
183.02341	2.6
191.10768	4.1
191.14348	13.0
209.11790	17.7
217.15816	3.6
245.19084	24.2
251.35670	2.8
263.20123	7.1
271.16956	4.6
289.18082	50.8
290.18372	4.9
307.10281	10.6
307.19119	100.0
308.19482	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	307.1915
Annotation	Unknow
Peak:m/z	Relative Intensity
51.64988	1.9
57.03315	6.7
59.01250	21.6
61.98713	3.1
68.21393	2.3
69.03313	5.2
69.26306	11.8
69.26733	7.7
71.01248	10.7
73.02821	4.3
73.86089	2.3
79.95606	9.5
80.02544	3.1
81.03346	9.1
83.01268	7.8
83.04916	4.0
85.02828	2.5
89.02295	3.7
95.04887	5.1
97.02822	8.8
97.06451	12.8
98.19730	3.7
101.02312	4.7
103.03931	3.8
106.04154	2.8
109.06460	2.9
113.02287	3.6
117.31400	2.5
121.02874	3.0
121.06456	5.5
123.04420	7.6
123.08078	2.7
125.09613	17.7
125.81326	2.2
135.04440	4.1
135.08029	3.6
136.05295	2.3
137.09613	15.4
149.05914	2.9
152.49095	2.3
157.52821	2.4
161.04449	8.2
163.06148	3.1
163.07526	3.6
163.11186	15.5
165.09053	3.4
165.12756	2.8
167.10709	2.6
171.10225	5.2
179.10669	2.3
181.12253	4.5
184.59328	2.6
185.11739	24.6
191.10663	2.9
191.14323	18.4
207.10173	11.8
207.29823	2.5
209.11786	34.5
211.73213	2.3
215.14400	2.5
225.11272	10.1
233.15437	5.5
245.19066	42.0
246.19508	4.3
263.20099	4.1
271.17108	4.9
289.18103	100.0
290.18405	8.2
307.10699	11.8
307.19171	62.3
307.22562	4.2
308.19046	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	307.1915
Annotation	Unknow
Peak:m/z	Relative Intensity
50.90946	1.3
57.03324	1.8
59.01246	6.2
61.98722	1.5
66.19482	1.2
71.01234	1.8
71.52273	1.7
83.04873	1.6
89.86770	1.3
97.06490	1.5
98.03600	1.4
109.06460	4.2
111.08030	1.7
116.47478	1.3
123.04414	2.1
125.09618	4.0
127.07565	3.1
137.05922	1.7
137.09641	4.1
144.70557	1.2
149.09587	1.8
151.11195	3.5
153.12718	1.5
155.10640	8.3
163.11162	2.7
164.08322	1.6
167.10664	3.5
177.12794	2.4
181.12222	2.4
185.11722	2.6
191.14330	7.6
195.10249	2.0
205.12299	2.0
219.70061	1.5
224.10406	1.8
225.11108	2.6
239.09254	2.5
245.19072	32.7
252.13850	1.8
263.20251	6.8
271.17108	2.9
275.88336	1.7
279.19757	2.4
289.18079	55.4
290.18399	4.1
307.19147	100.0
308.19412	6.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1916
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03320	13.4
59.01249	22.2
60.90083	2.9
64.27112	3.1
69.03360	3.4
71.01260	15.9
80.02546	4.7
83.04884	4.2
84.02039	3.9
89.02312	4.8
93.06966	5.4
95.04895	4.8
97.06474	13.8
101.02302	5.8
103.03840	3.9
104.52142	2.8
106.04133	8.8
107.08574	3.6
111.08053	7.3
121.06474	37.3
123.08085	5.3
125.09616	28.6
127.11144	3.4
135.04439	4.1
135.08052	18.6
137.09601	8.7
139.07582	5.4
149.06009	3.3
151.11160	14.8
153.09059	23.1
155.10716	6.1
161.04471	7.8
163.11182	3.1
165.12732	21.6
167.10612	6.1
171.10173	74.4
172.10536	4.1
179.10817	4.1
181.12334	19.4
181.13864	4.4
185.11752	100.0
185.54361	3.4
186.12193	5.3
191.10721	6.5
191.14377	7.3
192.11087	3.0
195.10207	3.7
197.11790	3.7
209.11751	29.2
211.13292	5.9
212.10475	10.9
221.27534	3.0
222.68298	3.2
239.09213	3.3
245.19089	37.9
261.18604	11.3
263.20218	15.5
271.16940	4.3
279.19687	14.3
289.18051	40.9
290.18411	4.1
290.48999	3.2
304.25684	3.0
307.10364	13.0
307.19147	85.6
308.19223	6.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1402
Annotation	NSC-224070
Peak:m/z	Relative Intensity
53.72231	1.7
58.00475	2.8
59.01257	61.9
62.39656	1.8
71.01265	31.3
71.53200	2.0
72.99203	2.9
73.02834	2.7
75.00712	2.0
83.01253	3.6
85.02811	9.8
87.00780	3.2
89.02326	21.5
97.73684	1.7
99.08048	26.2
101.02323	17.5
113.02367	10.1
119.03409	9.2
127.07549	7.9
129.09166	3.6
131.03555	1.8
145.07466	3.7
145.08623	74.7
146.08867	1.8
150.26219	1.9
161.04536	3.0
171.75603	2.1
187.09721	3.4
276.07910	1.9
307.10681	4.1
307.13983	100.0
308.14285	5.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1914
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10629	2.1
55.01754	6.2
55.45062	2.0
57.03331	3.6
59.01247	18.0
61.98701	8.3
65.03833	60.9
65.34071	1.8
67.01768	1.9
69.03323	2.6
69.47314	3.7
69.47721	11.4
71.01250	8.7
71.04890	38.6
73.02822	4.5
79.26290	2.5
80.02529	3.6
81.03328	3.6
82.86059	2.0
83.04897	5.2
83.31664	2.4
85.02825	4.3
85.81494	2.2
89.02325	2.2
95.04908	7.2
97.02855	2.1
97.06466	68.2
101.02332	5.1
103.03860	2.1
109.06496	3.1
109.48148	2.0
113.02306	2.6
119.08529	11.6
121.02876	2.3
121.06478	100.0
122.06815	2.8
123.05119	2.4
123.07998	2.3
124.55405	1.9
125.09617	40.8
126.09987	2.5
131.19250	1.9
132.61031	1.8
137.09641	2.9
161.04491	8.4
163.06050	2.4
163.11177	3.1
165.12756	3.1
167.14433	2.4
185.11751	73.0
186.12080	4.6
209.09880	4.1
209.11780	57.7
210.11946	2.5
211.13342	35.8
212.13701	3.8
235.13342	86.6
236.13675	5.1
245.19025	5.5
249.14890	2.1
289.18124	28.8
307.10519	10.4
307.19122	65.7
308.19611	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	307.1914
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03314	2.5
59.01250	5.5
69.03330	1.8
71.30472	2.6
81.03339	2.7
94.64346	1.4
95.04913	1.6
97.02831	4.6
121.06503	1.9
123.04395	5.4
125.09600	7.3
135.08018	3.0
137.09590	5.8
163.11227	9.8
165.12910	1.9
177.12770	1.5
185.11743	16.4
191.14308	17.2
207.10187	6.1
217.15988	2.3
225.11246	9.3
245.19058	30.5
271.16986	4.0
289.18088	100.0
290.18365	8.6
299.60104	1.5
307.19131	44.2
308.19507	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	305.2486
Annotation	Decaryiol
Peak:m/z	Relative Intensity
51.28003	14.4
54.20160	15.8
63.55012	15.6
63.63461	14.6
70.60979	25.5
80.88793	15.2
102.95406	16.9
154.69243	15.0
156.43057	18.3
200.47420	15.0
209.87561	17.1
267.62717	17.9
282.39929	15.2
305.24826	100.0
314.52820	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	307.1222
Annotation	Unknow
Peak:m/z	Relative Intensity
54.83791	0.4
59.01235	1.9
64.16215	0.3
70.28745	1.1
71.01246	1.4
74.98946	5.1
77.90717	0.4
83.22002	0.4
85.02813	0.7
91.02084	2.5
93.00021	2.5
98.20453	0.5
121.06449	0.7
121.56683	0.4
125.09620	0.6
141.74173	0.4
149.00847	2.6
159.08382	6.4
161.04535	0.5
161.06332	1.6
185.11754	3.4
192.17616	0.4
192.98033	0.8
201.51227	0.5
206.99655	1.8
209.01247	2.9
217.07095	0.7
217.23154	0.4
223.02785	50.4
224.02827	3.4
225.00705	0.6
241.03928	1.2
275.06110	0.6
289.07617	2.0
289.18015	0.5
291.09088	100.0
292.09247	10.5
307.12646	2.0
307.19095	1.3
309.10156	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	307.1223
Annotation	Unknow
Peak:m/z	Relative Intensity
58.98612	0.8
59.01246	3.1
68.48443	0.6
70.27945	0.8
70.28270	1.2
71.01247	2.3
74.98948	3.9
85.02824	0.7
91.02086	2.7
93.00019	3.6
101.84216	0.7
109.03636	0.6
112.69758	0.8
113.45353	0.7
135.34076	0.7
149.00882	2.6
159.08382	5.6
160.08475	0.8
161.04498	0.8
161.06270	2.9
194.18153	0.7
206.99673	1.7
209.01228	3.1
223.02785	49.8
224.02834	3.2
225.00769	0.9
245.19073	1.2
289.07480	1.7
289.18091	1.6
291.09094	100.0
292.09192	12.7
307.09897	0.8
307.12720	1.2
307.15863	1.0
307.19171	5.1
307.22412	1.2
309.10138	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	304.1917
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02847	47.1
66.95402	1.2
69.53996	8.4
71.16304	1.1
83.59705	1.2
103.90813	1.5
167.03893	1.2
168.13847	100.0
169.14200	4.1
212.12840	3.4
215.86298	1.5
216.81877	1.3
248.69518	1.2
294.92935	1.5
320.68188	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.1146
Annotation	Brachystemidine B
Peak:m/z	Relative Intensity
59.01255	2.6
65.99731	0.6
69.03336	0.7
69.26734	1.2
69.27142	3.4
71.01247	1.2
72.50936	0.5
80.13174	0.5
82.02861	3.3
83.83764	0.5
87.58677	0.5
94.02852	2.1
95.02289	0.5
96.04430	3.3
98.20007	2.3
107.74350	0.6
110.06023	0.7
113.02324	0.6
120.04437	0.9
122.03622	3.3
122.06018	1.8
136.03960	1.0
138.05516	100.0
139.05862	3.2
174.05557	0.6
188.06989	0.8
190.08740	0.8
195.35519	0.6
202.08665	0.9
212.19226	0.6
217.06039	1.0
218.06876	1.3
218.11816	2.1
233.09311	4.3
244.09810	1.5
245.09351	0.6
261.12460	10.4
262.12805	0.8
287.10437	1.1
305.11456	14.9
306.11880	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.1758
Annotation	Compactin diol lactone
Peak:m/z	Relative Intensity
50.49424	0.9
52.04875	0.8
52.11758	0.7
52.71642	0.8
54.34235	0.8
55.01755	1.6
57.03318	2.7
59.01247	3.5
61.98707	1.4
63.96107	1.2
65.03843	3.0
65.95705	2.6
69.03337	1.0
71.04893	6.7
71.44954	1.4
77.50275	1.0
78.98475	2.2
79.05397	13.8
79.98817	0.9
80.98047	8.4
83.04901	1.0
85.02846	1.0
93.03365	1.6
95.04915	3.3
97.06467	14.9
98.06805	1.0
105.31324	0.8
106.04121	7.7
107.04935	3.5
109.06500	2.9
113.02323	1.0
117.07004	1.8
119.04909	1.2
120.05703	7.3
121.06502	3.7
123.08055	7.9
125.09620	15.8
133.06541	2.4
135.08055	100.0
136.08394	4.4
137.09656	1.6
139.11250	1.4
149.23210	1.2
151.11234	4.0
163.11246	1.5
171.10233	1.3
177.12785	1.5
183.10239	1.2
185.11813	2.7
189.12935	1.6
205.15958	6.7
207.10283	3.1
209.11774	1.6
221.11830	1.1
231.14191	1.0
235.13347	1.5
243.17610	1.2
247.13493	1.0
249.14928	52.9
250.15405	3.1
263.16635	2.1
269.15552	1.4
287.16559	7.1
305.08484	2.0
305.17670	65.2
306.17990	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	301.2383
Annotation	Unknow
Peak:m/z	Relative Intensity
58.82670	0.5
59.01249	1.0
61.98697	2.1
63.47287	0.5
71.53012	0.7
71.64806	0.5
87.07236	0.5
99.08031	3.1
101.83739	0.5
107.01270	0.8
123.00784	2.2
125.09615	0.5
127.11195	2.6
129.09094	1.0
138.03148	1.6
151.00266	1.1
155.14291	1.4
159.08264	0.6
171.10199	1.6
199.13362	1.7
219.97658	0.7
229.14314	0.6
253.21693	0.7
265.21747	2.0
271.06201	0.8
275.38858	0.7
281.21313	0.7
283.22794	11.0
284.23273	0.6
299.22223	5.0
301.00140	0.9
301.03479	3.6
301.10922	1.1
301.23834	100.0
302.24188	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	303.051
Annotation	3,5,7,2',6'-Pentahydroxyflavanone
Peak:m/z	Relative Intensity
50.77666	1.3
51.67672	1.0
57.03326	18.0
61.14859	1.1
65.00191	3.7
69.21429	4.2
69.21842	5.9
83.01263	7.9
107.01279	2.4
109.02831	3.1
115.23127	1.2
121.02866	1.9
123.04378	6.6
124.01561	2.4
125.02336	100.0
126.02679	2.9
133.02866	1.5
137.02341	2.5
139.03903	2.2
143.04889	1.2
147.04434	3.0
149.02321	6.1
150.03110	6.1
151.00214	9.2
151.03894	8.5
152.01015	2.8
153.01878	6.6
153.98587	1.3
161.02335	1.3
163.20581	1.3
165.05490	1.3
173.02423	1.4
174.03152	4.7
175.03922	15.4
177.01859	16.1
178.02219	1.3
178.61914	1.3
178.99760	11.2
181.01361	1.5
188.04785	2.6
189.05490	6.1
191.03424	1.2
193.05093	3.0
199.03949	8.5
201.01865	4.5
205.09694	1.2
213.05495	2.4
216.04254	2.7
217.05032	9.3
231.06555	1.5
241.05086	6.5
243.03163	1.5
259.06088	6.6
275.05664	5.7
285.04050	70.0
286.04355	3.3
303.05011	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	301.2383
Annotation	CHEBI:79288
Peak:m/z	Relative Intensity
59.01237	1.1
61.98692	3.3
71.35955	0.9
71.52438	0.9
80.76104	0.9
85.90347	1.1
97.02842	1.0
98.46736	0.9
123.00751	4.7
127.11175	6.9
138.03148	2.3
151.00269	1.1
151.72021	1.0
155.10684	1.4
157.12228	2.6
157.79405	1.2
171.10129	2.2
178.99782	0.9
201.11273	1.9
205.23300	0.9
212.03430	1.0
217.07056	1.9
219.97729	1.5
220.53810	0.8
265.21765	2.0
283.22769	9.3
299.22287	5.3
300.99933	1.5
301.03403	1.5
301.10962	1.6
301.16824	3.5
301.23816	100.0
302.24265	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	301.166
Annotation	Viridamine
Peak:m/z	Relative Intensity
54.99236	0.5
60.97363	0.7
69.74786	2.5
75.02631	0.6
98.19846	0.7
98.31113	0.6
105.62183	0.6
114.78903	0.6
118.96145	0.8
134.99309	6.0
136.97176	1.8
143.05188	0.7
150.23540	0.6
159.08342	1.8
161.06294	6.5
201.03954	0.9
203.05600	3.6
205.03433	1.3
215.05594	1.2
217.07158	81.2
218.07231	7.1
239.87700	0.6
268.71033	0.6
285.13477	33.2
286.13623	4.3
301.16608	100.0
302.16772	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	299.0561
Annotation	Chrysoeriol
Peak:m/z	Relative Intensity
50.56062	1.3
55.02708	1.2
55.85937	1.2
56.44800	1.5
59.01256	10.3
70.57912	1.3
71.19865	2.4
89.02312	2.9
107.01278	2.1
117.03329	5.4
118.55024	1.3
119.04905	2.1
135.00772	3.2
138.05554	2.2
145.02849	23.1
163.04002	1.5
174.99092	2.4
184.58687	1.5
187.03978	1.6
189.61949	1.4
199.03915	1.5
211.03969	2.5
217.00264	5.5
227.03444	52.8
228.03792	3.4
255.02966	79.8
256.03546	8.5
271.02414	2.3
284.03262	100.0
285.03555	6.5
298.24640	2.7
299.02353	2.2
299.05582	53.6
299.08636	2.2
299.16483	40.1
299.25897	3.9
300.05951	4.4
300.16913	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	299.2227
Annotation	ROCCELLIC ACID
Peak:m/z	Relative Intensity
56.56469	0.7
59.01249	9.0
60.56732	0.7
61.98700	1.1
69.96722	3.4
70.05362	0.8
71.01252	1.2
71.23590	0.8
82.19650	0.8
83.04871	0.9
84.30518	0.7
97.06474	1.3
99.08025	3.0
99.54086	0.8
99.92463	1.5
109.88121	0.7
113.09570	2.2
117.03323	3.3
119.04886	0.8
125.09598	2.0
127.11167	1.7
137.02332	0.9
138.05518	2.5
145.02847	14.6
171.10135	2.8
174.99098	1.4
180.03951	0.9
182.24706	0.8
199.13292	1.4
217.00244	6.3
243.98186	0.8
279.19739	2.1
281.21246	8.4
284.03238	2.0
297.20801	1.0
299.02216	1.0
299.05566	2.8
299.09070	1.4
299.16702	24.9
299.22250	100.0
300.17020	1.8
300.22626	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	297.2434
Annotation	Ricinoleic acid
Peak:m/z	Relative Intensity
51.04059	0.5
55.37369	0.4
59.01251	5.3
70.28536	1.0
71.01256	3.7
85.02826	0.8
89.02301	3.1
90.67950	0.4
101.02313	2.1
113.02310	1.4
113.09595	1.4
119.03380	1.6
135.06517	1.3
141.12744	0.6
161.04413	1.0
173.36766	0.4
183.01108	3.5
183.13783	3.8
185.11737	3.2
199.05724	0.5
199.13295	1.1
277.38214	0.5
279.23288	9.4
295.22824	0.9
297.11795	2.5
297.15237	6.2
297.24338	100.0
298.24689	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	297.2436
Annotation	Ricinoleic acid
Peak:m/z	Relative Intensity
57.03318	0.9
59.01259	9.1
64.67760	0.6
70.55550	1.3
71.01257	4.6
85.02841	1.7
89.02301	5.0
95.01295	0.8
97.41164	0.7
98.20451	0.7
101.02322	2.8
113.02331	1.9
116.40363	0.6
119.03406	1.8
135.06535	1.7
161.04482	1.5
179.05508	1.2
183.01117	3.7
183.13849	1.5
199.13385	2.4
237.09816	1.1
253.25246	0.9
279.23218	4.9
297.04962	0.6
297.11804	3.5
297.15277	7.1
297.24356	100.0
298.15582	0.7
298.24655	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	297.2435
Annotation	Ricinoleic acid
Peak:m/z	Relative Intensity
51.86868	0.4
56.07881	0.4
57.03321	0.5
59.01250	9.3
59.74562	0.4
66.81244	0.4
70.73949	0.8
71.01251	4.5
72.99171	0.5
73.02842	0.7
85.02824	1.5
87.00716	0.4
89.02318	5.1
101.02312	4.4
113.02341	2.2
119.03413	2.1
125.38197	0.3
127.68085	0.4
135.04384	0.5
135.06535	2.3
143.03342	0.4
161.04439	1.5
179.05489	1.5
183.01135	7.9
183.13783	0.9
184.01794	1.1
185.11742	7.1
197.15410	1.1
216.00919	0.7
224.76828	0.4
261.22287	0.7
279.23276	14.5
280.23627	1.6
295.22833	1.1
297.11844	3.8
297.15283	14.0
297.24335	100.0
298.12320	0.4
298.15555	1.5
298.24689	10.5
310.72449	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.2435
Annotation	cis-9,10-Epoxystearic acid
Peak:m/z	Relative Intensity
52.25980	0.5
55.07211	0.5
56.11563	0.5
57.08593	0.5
59.01244	7.8
70.55609	1.5
71.01254	2.7
85.02817	1.8
89.02333	3.6
93.91793	0.5
94.79694	0.5
99.98069	0.6
101.02306	2.8
113.02331	1.3
119.03402	1.7
127.76543	0.6
134.58620	0.7
135.06497	1.8
160.61426	0.6
161.04526	0.7
179.05521	0.7
183.01135	5.1
184.01904	0.6
185.11748	7.9
237.09821	0.8
241.28278	0.7
261.22150	0.8
279.23267	13.9
295.22879	1.0
297.11710	2.8
297.15240	9.3
297.24319	100.0
298.12070	0.6
298.15442	1.1
298.24637	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	297.2074
Annotation	4alpha-Hydroxy-5beta-acetoxy-epi-cubenol
Peak:m/z	Relative Intensity
53.68501	1.6
55.96726	1.1
57.03328	3.0
58.00462	1.5
59.01255	48.9
61.98702	3.5
69.29889	1.1
69.54891	1.3
70.65121	4.0
70.93809	1.3
71.01259	28.0
72.99186	2.4
73.02818	3.4
83.01274	1.4
83.04913	1.4
85.02841	5.9
85.06464	3.0
87.00784	2.2
89.02319	26.4
92.61601	1.2
95.01275	2.2
97.06424	1.3
99.00745	1.5
99.08034	3.5
101.02325	12.3
113.02331	10.8
115.07572	2.1
119.03403	10.5
125.09628	8.8
127.11150	1.4
132.05916	1.2
135.06544	9.3
143.03413	2.4
151.11238	1.6
154.06178	1.4
155.10725	2.8
159.02980	1.2
161.04456	8.2
169.12271	3.8
171.10181	37.2
172.10620	2.1
179.05562	7.6
181.12343	3.0
183.10193	2.2
183.13887	3.6
185.11758	6.3
193.12331	3.0
195.13887	3.8
197.11786	13.1
199.13348	4.0
201.11328	4.2
211.13336	30.2
237.09752	1.5
261.18622	5.4
279.19659	27.7
280.20377	1.6
288.21243	1.5
297.11945	19.1
297.15225	2.9
297.20782	100.0
297.24323	15.4
298.21097	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	297.2434
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	24.6
61.98687	1.9
71.01253	10.4
71.53309	1.4
78.21219	1.6
85.02822	5.4
87.00734	1.5
89.02314	14.7
89.04116	1.9
94.15837	1.4
101.02327	9.5
113.02339	4.2
119.03398	6.3
119.31832	1.4
135.06543	6.4
139.34833	1.5
143.03320	1.5
149.00838	9.0
161.04457	3.6
179.05515	4.0
183.01129	9.9
264.98462	1.8
279.23291	3.9
297.04678	18.6
297.11844	10.5
297.15323	22.8
297.24362	100.0
298.04727	3.3
298.15555	2.6
298.24640	8.1
299.02515	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	296.0775
Annotation	Unknow
Peak:m/z	Relative Intensity
56.07741	13.1
58.08991	12.0
59.01236	68.7
69.60241	57.5
71.01237	36.4
71.14816	12.2
72.12457	12.6
72.99205	20.0
84.51707	10.6
85.02821	15.5
87.00763	44.6
89.02316	37.5
89.66963	12.5
98.20551	15.3
101.02328	28.1
103.36176	11.2
105.39623	12.0
115.00230	22.9
118.32432	10.5
119.03378	28.0
119.04930	14.5
123.04455	18.4
133.01300	35.3
134.01665	18.1
135.06534	20.3
139.53555	12.8
146.06024	19.9
156.04428	16.2
161.04472	15.1
236.05666	12.4
278.06729	21.9
296.07684	100.0
297.11816	26.6
297.24313	24.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.1194
Annotation	Unknow
Peak:m/z	Relative Intensity
53.94695	4.2
59.01254	100.0
70.25291	4.1
70.60146	12.1
71.01257	54.0
72.99170	4.6
73.02802	12.1
73.04578	4.6
79.01767	5.1
83.01212	4.2
83.90366	4.1
85.02809	14.6
89.02331	36.6
90.07208	4.9
92.19415	4.5
98.19835	5.3
101.02327	31.4
113.02331	17.4
119.03358	9.4
122.23446	5.0
128.74184	4.6
135.04372	4.9
135.06522	15.6
152.19600	4.5
161.04497	6.0
179.05515	5.5
297.11746	20.1
297.24374	27.3
318.79221	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	295.046
Annotation	Phaseolic acid
Peak:m/z	Relative Intensity
59.01258	3.8
63.13060	1.6
63.94349	1.2
66.58828	1.3
71.01259	13.6
71.30006	1.8
72.99185	3.1
76.08134	1.2
83.49717	1.2
89.02338	2.4
114.99467	2.6
115.00257	37.4
132.03653	1.5
133.01331	100.0
134.01653	2.8
135.04416	14.2
179.03389	8.8
214.82199	1.2
248.76990	1.3
257.01706	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2279
Annotation	9(S)-HODE
Peak:m/z	Relative Intensity
54.96245	1.1
59.01242	4.6
62.34447	1.1
71.01252	2.2
71.45411	1.9
83.76984	1.1
84.14778	1.1
119.90738	1.0
171.10204	36.9
172.10544	2.0
183.11891	1.1
199.37285	1.1
277.21744	50.7
278.22122	5.1
291.88791	1.2
295.22787	100.0
296.23038	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	293.2123
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	5.2
69.61112	2.8
70.71231	3.2
70.88126	3.1
121.10134	47.3
122.10448	3.3
155.67355	3.2
171.10184	84.9
172.10594	3.4
185.11771	4.5
195.13823	5.8
209.45097	3.4
223.13269	5.6
231.21150	6.1
275.17374	3.4
275.20135	100.0
276.20566	10.5
293.21271	81.5
294.21515	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	293.2123
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03335	1.6
59.01241	2.8
61.44359	0.7
61.98696	0.8
62.06472	0.7
70.40441	2.5
71.01241	2.5
76.97135	0.7
85.02812	1.1
89.02314	1.1
96.95882	1.5
97.06443	1.4
121.10115	0.8
123.08079	1.5
125.09630	3.9
131.58884	1.0
141.12756	1.4
149.09610	1.7
161.04434	1.0
171.10132	2.1
185.11761	9.8
186.75417	0.9
197.11728	2.5
221.15398	2.1
236.10526	1.9
249.22067	0.9
275.20001	4.1
275.59393	0.7
283.76434	0.9
293.08899	4.0
293.21204	100.0
294.21451	8.6
301.59256	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2126
Annotation	Unknow
Peak:m/z	Relative Intensity
53.67666	1.0
54.13852	1.0
57.03337	5.4
59.01254	6.9
71.01252	3.7
79.45572	0.9
89.02312	2.2
96.95895	2.3
97.06444	1.0
109.06470	1.4
113.09614	16.2
121.10105	7.6
127.11197	1.0
131.03394	1.3
136.78551	1.2
139.11185	2.0
148.48589	1.0
160.16154	1.0
161.04477	1.4
167.10706	1.6
171.10188	14.3
195.13872	2.8
220.14702	1.2
221.15427	2.3
231.21147	1.7
236.10490	2.0
249.22214	2.8
275.20148	16.4
276.20422	1.4
293.08908	11.2
293.21231	100.0
294.09183	2.0
294.21539	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	293.1796
Annotation	Unknow
Peak:m/z	Relative Intensity
56.75653	0.3
59.01252	0.8
61.68908	0.4
69.57307	2.1
71.01260	2.1
73.02801	0.4
79.95600	2.4
85.02824	0.7
89.02322	1.5
96.95896	100.0
97.95800	0.4
109.96755	0.4
113.09583	0.3
161.04443	0.7
193.16125	0.5
220.14604	0.8
221.15422	1.6
236.10532	1.5
293.09015	2.1
293.17957	73.5
293.20737	2.6
294.18311	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
57.14783	0.4
59.01239	1.5
66.18152	0.4
66.62859	0.4
67.23454	0.4
70.73142	1.0
71.01239	1.3
77.45316	0.4
78.16249	0.4
81.03320	1.0
85.39702	0.4
88.70828	0.4
89.02303	1.5
113.23965	0.4
121.10151	2.4
149.09650	0.7
161.04465	0.6
163.66461	0.4
171.10164	3.6
179.14337	0.5
181.15900	0.7
191.14334	0.8
193.15887	0.7
220.14738	0.8
221.15381	0.6
225.14909	1.5
236.10455	0.9
249.22179	1.0
266.29584	0.4
272.30396	0.4
275.20062	4.8
275.22391	0.4
276.20349	0.5
293.08865	1.2
293.21216	100.0
294.21518	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	291.1966
Annotation	13-epi-12-oxo Phytodienoic Acid
Peak:m/z	Relative Intensity
59.01253	1.4
69.90650	1.0
70.33722	0.9
71.09162	1.9
73.02817	55.7
83.01962	0.9
112.20008	0.9
121.02827	1.6
139.11156	1.0
165.12764	1.4
191.79497	1.0
210.36578	1.0
211.34242	1.2
291.19662	100.0
292.19989	10.6
310.33328	1.2
313.35608	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1966
Annotation	Unknow
Peak:m/z	Relative Intensity
59.91286	0.9
65.46577	1.1
70.58180	2.2
77.39014	0.9
78.63209	1.0
101.13061	0.9
104.50949	0.9
110.34678	1.0
148.08807	1.7
150.10387	1.5
163.11127	1.5
165.12761	21.3
166.13042	1.0
247.20651	9.4
248.21057	1.8
255.46474	1.0
273.18610	6.3
291.19650	100.0
292.19962	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	291.1969
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03328	2.6
59.01246	2.0
61.98716	0.6
64.47485	0.5
71.01232	0.8
71.53595	0.6
85.02831	0.6
93.06980	1.5
97.06482	2.0
111.08039	3.3
121.02838	1.0
121.10134	10.9
122.10465	0.7
123.08072	1.2
125.09631	5.9
139.11200	0.5
141.12785	1.1
147.08090	0.7
165.12697	1.0
177.12787	0.8
179.10858	0.7
185.11766	12.4
186.12021	0.5
195.13855	1.9
197.11757	2.3
209.04495	0.9
209.11760	1.6
211.13339	1.5
223.13429	0.7
247.13550	0.8
247.20728	1.3
273.18600	2.3
291.19681	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	291.1967
Annotation	12-OPDA
Peak:m/z	Relative Intensity
52.93855	0.3
54.08033	0.3
59.01246	3.5
61.98689	0.3
69.62890	0.8
69.63275	1.0
71.01254	0.7
72.08278	0.4
80.02547	0.6
81.03317	0.5
83.04855	0.6
85.02795	0.5
85.19964	0.3
93.03354	0.3
95.04905	0.7
97.06441	0.6
97.19827	0.4
98.19748	0.4
98.20317	1.3
109.06472	0.6
111.08045	0.9
113.09595	0.9
119.08557	1.7
121.02850	1.1
121.10093	0.6
124.61034	0.4
125.05968	0.8
125.09615	0.7
135.07994	0.5
137.09734	0.4
139.11212	0.7
161.09604	0.6
162.10371	0.9
163.11200	3.5
165.12766	7.4
167.10670	0.4
171.10168	1.6
175.07443	0.4
177.12775	0.5
179.14357	3.3
185.11807	1.0
189.12860	0.4
190.09921	0.4
193.15808	2.1
197.11815	0.5
207.79076	0.4
209.04512	0.5
209.11726	1.4
217.16148	0.4
219.17418	0.5
223.13339	1.8
229.19597	1.2
231.10129	0.6
247.20656	7.8
248.20987	0.5
263.20123	2.5
270.14890	0.4
273.18600	6.1
274.18988	0.6
291.19650	100.0
292.16833	0.8
292.19971	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	292.1923
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02849	0.9
59.01254	3.1
61.98701	0.9
71.01255	2.5
71.53479	0.4
78.11417	0.4
85.02845	1.0
87.30934	0.4
89.02319	1.6
97.02818	0.5
99.00784	0.6
101.02325	0.5
119.93356	0.4
131.03416	0.9
137.08191	0.4
156.13860	100.0
157.14201	4.2
160.18661	0.5
161.04459	1.4
165.12866	0.5
190.56415	0.4
192.11464	0.6
200.12860	6.7
220.14711	2.9
221.15474	5.6
233.10133	0.4
236.10495	3.3
244.96257	0.4
274.18887	0.7
292.19949	6.9
293.08701	3.1
293.17853	0.9
293.21268	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	292.1921
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02845	1.1
59.01252	4.2
60.65099	0.5
61.98698	0.7
65.31699	0.5
71.01267	3.3
73.02814	0.8
79.50471	0.5
79.95589	0.7
81.03285	0.6
83.01250	0.7
84.10679	0.5
87.00767	0.7
89.02304	2.9
96.95900	0.8
97.02847	0.6
101.02361	0.7
108.04432	0.6
122.55415	0.5
131.03368	0.9
134.71631	0.7
149.09692	0.6
156.13855	100.0
157.14236	4.3
161.04469	2.0
200.12874	7.5
204.11122	0.5
220.14702	2.1
221.15382	4.5
236.10500	4.5
290.38412	0.7
292.16998	0.6
292.19913	4.0
293.08902	5.2
293.17981	1.2
293.21182	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	293.1758
Annotation	Nordihydrocapsiate
Peak:m/z	Relative Intensity
59.01252	2.5
66.08515	0.8
69.48331	4.7
71.01263	7.7
79.02212	0.8
83.22913	0.8
91.44805	0.8
105.55347	0.8
105.60184	0.8
116.26939	0.8
121.97665	0.9
126.02630	0.7
127.07566	1.1
148.05247	1.1
161.04393	0.9
177.09142	4.7
183.94733	0.9
192.11482	6.5
205.12195	4.9
206.12744	1.4
207.13640	0.8
213.11098	0.9
215.85185	0.7
218.09467	1.7
220.14632	45.1
221.15419	100.0
222.15726	5.6
230.24934	0.9
236.10510	70.1
237.10893	3.0
293.17627	8.5
307.65070	1.0
308.24414	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	288.1605
Annotation	Mesembrine
Peak:m/z	Relative Intensity
53.55245	0.4
59.01242	0.4
61.72895	0.4
61.98703	0.4
62.12038	0.4
70.82409	0.7
74.95772	0.4
81.03336	1.5
93.03320	0.9
99.92501	0.5
107.03632	0.6
108.04424	3.7
109.02831	4.0
124.01450	0.5
134.02373	41.3
135.03203	7.0
136.03944	36.9
136.04782	0.5
137.02328	1.8
137.04251	1.2
148.03935	1.2
149.04710	1.6
152.00977	0.5
176.03427	6.0
181.03563	0.4
196.19095	0.4
204.06645	0.7
288.16046	100.0
289.16315	8.9
305.27438	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.0055
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	4.3
71.01264	6.8
71.19048	6.9
72.99174	42.3
74.99243	10.4
83.10834	3.6
87.00731	4.5
96.95887	8.9
102.98761	5.6
114.98767	62.5
115.00235	20.5
115.98848	5.3
125.25802	3.5
133.01334	26.6
142.96530	9.4
160.97522	8.8
172.99347	11.3
173.94078	3.6
174.99196	4.2
184.97633	14.6
186.95714	7.6
186.97281	100.0
186.98962	5.7
187.97444	4.9
202.98648	14.6
215.00485	9.5
228.98326	60.3
229.98499	6.9
245.21606	4.3
289.00500	6.1
314.35556	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	289.0566
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03322	5.7
71.01246	4.1
71.32749	4.7
72.99187	17.3
83.04904	6.1
85.02848	5.6
87.00748	100.0
93.03339	5.6
95.04913	7.6
100.98689	4.1
103.00269	9.4
109.02842	6.2
111.00761	13.9
111.04398	5.1
119.04874	3.5
121.02824	16.7
123.00786	14.4
123.04414	13.5
124.01531	13.6
130.99770	31.5
137.02344	5.3
137.05995	5.9
138.03162	4.1
139.03944	19.0
139.04794	3.7
146.99287	6.9
147.04405	8.1
149.05983	8.9
150.03212	4.0
161.74937	3.3
163.03894	8.6
165.05479	15.1
167.03389	5.6
177.05481	8.0
181.04956	8.1
207.67490	3.2
214.45184	3.4
216.76294	3.6
239.05582	25.0
246.67072	3.7
255.05029	8.4
271.04529	4.2
276.28244	3.9
289.05627	38.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.181
Annotation	Tuberatolide A
Peak:m/z	Relative Intensity
55.75808	0.5
59.01256	2.9
61.98708	1.5
69.47092	3.8
71.01244	0.6
80.02540	0.9
81.03320	1.0
83.04897	0.6
95.04875	1.3
97.06507	0.6
98.19748	0.9
100.44526	0.5
106.04113	1.5
107.04880	1.0
109.02905	0.6
109.06476	11.7
111.08043	1.9
121.02881	0.9
121.06499	0.6
121.75192	0.6
123.08025	2.7
135.08070	0.7
143.10698	1.3
145.06502	3.0
146.96495	0.6
149.09615	1.9
151.11203	0.8
159.08136	0.7
163.11235	1.6
167.10683	1.8
175.11223	0.6
179.10565	0.6
181.12242	0.8
191.14362	1.8
245.04689	0.5
245.07927	0.5
245.19075	7.2
271.17004	1.8
287.16504	2.8
289.07263	2.3
289.18103	100.0
290.18423	8.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1966
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03312	1.3
69.41640	5.7
78.23585	0.9
93.06965	1.9
95.16431	1.1
96.26751	1.2
97.06461	1.9
98.19830	2.1
98.20488	1.9
121.10122	11.2
122.10449	0.9
123.08036	1.6
125.09596	7.8
141.88652	0.9
147.08020	1.5
174.49203	0.9
185.11752	14.9
185.58473	0.9
186.12068	1.1
197.11771	2.7
211.13290	1.6
225.04808	1.1
231.27809	1.0
273.18420	2.3
279.15979	0.9
291.19653	100.0
292.20013	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	287.0562
Annotation	Eriodictyol
Peak:m/z	Relative Intensity
57.03323	0.8
58.79345	0.7
59.01253	1.4
61.98702	0.9
63.02262	3.2
65.00193	11.4
66.65945	0.6
70.45112	0.7
71.33548	1.0
83.01269	6.1
85.02826	0.8
91.76563	0.7
101.02428	0.7
104.92262	0.8
107.01267	16.2
109.02844	2.7
125.02338	5.8
134.03625	1.6
135.04417	100.0
136.04739	3.3
151.00275	86.3
152.00603	3.6
161.02255	0.9
169.01328	2.7
201.05409	0.8
215.03494	0.8
259.06223	1.2
280.30170	0.9
287.02237	1.6
287.05569	12.6
287.08652	1.0
287.18716	0.8
294.98468	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.2228
Annotation	10,16-Dihydroxyhexadecanoic acid
Peak:m/z	Relative Intensity
57.03328	3.1
59.01247	14.6
61.98680	3.6
71.52354	3.3
94.42977	3.2
99.92469	7.2
113.09615	3.4
115.91945	4.3
116.92736	4.0
124.01370	3.1
125.02329	13.4
269.21198	8.4
285.20660	5.2
287.09479	4.0
287.22269	100.0
288.22650	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	287.223
Annotation	Unknow
Peak:m/z	Relative Intensity
51.36202	0.7
53.06602	0.7
55.63054	0.7
59.01240	2.5
61.98709	1.5
87.20073	1.0
99.92459	3.1
113.09612	4.9
115.91951	0.8
116.92741	1.8
125.02311	2.5
127.11172	2.9
141.09152	0.8
143.10660	3.8
155.10696	1.1
171.10153	4.4
180.69629	0.9
197.90179	0.7
201.11150	1.7
217.62868	0.8
241.28569	0.7
251.20158	2.6
267.19714	0.9
269.21173	7.9
270.21640	1.4
283.19220	0.9
285.20712	8.6
286.21225	0.8
287.22281	100.0
288.22604	7.9
293.32785	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	286.239
Annotation	Prosopinine
Peak:m/z	Relative Intensity
51.00961	1.1
52.33963	1.1
54.03588	1.0
59.01252	1.9
61.98389	1.1
61.98696	3.9
64.69147	1.2
65.16688	1.2
69.90082	2.5
69.90468	2.6
73.06067	1.3
74.05981	1.6
98.20539	1.5
113.09586	3.0
125.02359	3.4
171.10277	2.5
196.00648	1.2
240.23334	4.4
242.21237	1.4
268.23029	1.2
269.21228	2.3
285.20703	4.4
286.04456	1.4
286.21118	8.2
286.23895	100.0
287.12845	1.6
287.22037	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	283.2279
Annotation	12-(2,3-Dihydroxycyclopentyl)-2-dodecanone
Peak:m/z	Relative Intensity
54.52485	0.5
59.01247	2.7
64.35450	0.5
67.86578	0.5
69.30692	3.3
69.31105	0.7
71.01250	0.8
89.02319	1.0
96.39837	0.5
98.20535	0.9
101.02311	0.9
114.34151	0.5
127.11199	1.4
139.11150	0.6
151.81242	0.5
155.10660	3.5
171.10187	7.2
247.20583	0.9
265.21732	13.0
265.24625	0.7
266.22000	1.3
281.21213	1.4
283.22763	100.0
283.26370	78.8
284.23087	7.8
284.26721	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	285.2072
Annotation	Hexadecanedioic acid
Peak:m/z	Relative Intensity
57.03302	0.9
59.01242	1.5
61.98680	0.4
64.15417	0.5
67.72182	0.4
70.59048	1.1
71.04884	1.1
75.70960	0.4
78.49482	0.5
78.95781	3.1
81.03306	0.4
83.04890	1.4
83.26602	0.4
99.08028	4.9
110.02401	0.7
111.08035	3.3
113.09612	4.3
118.75990	0.4
123.04430	0.7
125.09615	1.1
127.11192	1.1
137.09607	0.6
151.11174	0.7
157.08603	5.0
167.10695	0.6
185.11734	1.9
192.40610	0.4
223.20697	1.3
249.18564	0.8
254.65076	0.4
265.18112	1.7
266.18799	0.5
267.19653	11.3
268.19955	1.2
270.05283	0.6
285.03992	3.3
285.07022	0.7
285.20706	100.0
286.21060	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	286.0573
Annotation	Unknow
Peak:m/z	Relative Intensity
52.07621	23.9
55.15950	27.3
56.87658	22.9
59.01273	26.0
71.01238	25.9
94.81313	23.3
99.62366	22.2
103.65769	24.8
109.02864	44.9
115.00307	41.6
124.37872	24.9
129.69116	28.1
132.02969	100.0
152.03421	94.1
162.05498	31.0
197.51714	25.3
236.05768	62.6
265.44992	30.0
286.06158	32.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.2279
Annotation	12-(2,3-Dihydroxycyclopentyl)-2-dodecanone
Peak:m/z	Relative Intensity
52.28576	0.5
53.28082	0.6
59.01257	3.5
65.87405	0.6
69.35800	4.4
71.01249	1.3
71.26023	0.6
72.74171	0.6
79.11021	0.6
81.85961	0.6
84.40670	0.6
89.02308	0.8
127.11192	1.7
132.95885	0.6
155.10684	14.1
164.15556	0.5
171.10150	0.7
247.20599	0.6
265.18890	0.4
265.21695	12.6
266.22183	0.7
280.44370	0.6
283.10141	1.4
283.22794	100.0
283.26401	68.4
284.23135	8.6
284.26761	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	283.2279
Annotation	Unknow
Peak:m/z	Relative Intensity
54.27613	0.4
59.01246	5.6
70.10793	1.0
71.01261	2.1
89.02306	1.0
101.02280	0.9
119.03407	0.6
121.04923	0.5
155.10693	6.3
157.79425	0.5
161.04475	0.4
265.21701	7.0
266.22009	0.5
268.03833	0.6
273.56985	0.5
281.21341	0.5
283.06223	1.0
283.10236	1.6
283.22821	52.6
283.26425	100.0
284.23160	5.3
284.26770	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	283.2278
Annotation	12-(2,3-Dihydroxycyclopentyl)-2-dodecanone
Peak:m/z	Relative Intensity
50.60706	0.5
52.66250	0.6
59.01244	2.7
64.86781	0.5
69.50228	0.6
71.01231	1.2
71.43314	0.6
75.02014	0.5
81.71066	0.5
89.02309	0.8
101.02301	0.7
107.04906	88.2
108.05237	3.3
121.04922	0.6
127.11116	0.9
139.11147	0.8
141.23146	0.5
155.10712	2.7
163.11191	87.4
164.11514	5.2
165.03044	0.5
171.10150	4.3
180.40251	0.5
186.01843	0.6
217.96082	0.5
265.21695	8.6
266.22046	1.0
281.21271	0.7
283.06152	1.1
283.10681	1.5
283.17075	81.5
283.22815	100.0
283.26428	89.3
284.17413	8.9
284.23148	8.9
284.26788	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	283.1703
Annotation	4,4-Bis(4-hydroxyphenyl)heptane
Peak:m/z	Relative Intensity
54.25995	0.4
59.01258	2.3
60.74342	0.4
60.78878	0.4
71.01257	1.0
100.44477	0.4
101.02322	0.5
107.04903	100.0
108.05231	2.5
113.02363	0.5
113.37666	0.5
123.04456	0.5
127.11195	0.8
155.10687	2.0
163.11191	96.6
164.11514	4.7
171.10194	4.2
192.90796	0.4
265.21732	6.0
268.03741	0.6
281.21338	0.5
283.17056	83.6
283.22824	69.3
283.26447	68.1
284.17401	7.2
284.23151	5.4
284.26791	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	283.2277
Annotation	12-(2,3-Dihydroxycyclopentyl)-2-dodecanone
Peak:m/z	Relative Intensity
52.78906	0.4
56.82069	0.5
59.01249	5.7
71.01255	2.1
71.24252	0.5
71.24621	0.5
80.03189	0.5
85.06446	0.5
89.02314	1.6
101.02304	1.6
113.02339	0.9
118.98261	0.5
119.03407	1.2
121.04931	0.6
125.09614	0.5
141.12721	0.6
159.02190	0.5
175.98862	0.5
185.11734	7.1
188.15285	0.5
230.97473	0.5
247.20715	0.8
265.21701	12.9
266.22073	1.1
268.03790	1.1
281.21326	0.7
283.06171	1.1
283.10217	1.6
283.22803	84.2
283.26413	100.0
284.23120	6.9
284.26755	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	279.1965
Annotation	Chabrolol B
Peak:m/z	Relative Intensity
52.49582	2.2
54.85692	2.4
59.01255	15.6
61.98677	2.3
63.00914	2.2
69.19501	14.7
71.01238	7.1
74.55851	2.5
83.01263	2.3
85.02804	4.2
85.06939	2.0
88.19682	2.5
89.02280	3.3
89.13753	2.2
101.02315	4.0
107.08542	39.7
109.47263	2.2
119.03450	2.8
171.10181	92.1
172.10544	3.1
197.11850	2.4
215.66095	2.9
217.19577	8.5
219.02985	3.2
261.18600	100.0
262.18842	8.6
279.16437	4.2
279.19623	49.9
279.23206	24.0
280.20053	4.9
280.23331	2.8
283.99466	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	279.2328
Annotation	Linoleic acid
Peak:m/z	Relative Intensity
59.01262	4.8
59.64635	1.0
71.01257	2.3
81.57173	0.9
88.32998	0.8
89.02317	1.0
94.70374	1.0
96.95874	6.7
101.02348	1.1
115.91963	1.1
139.22412	0.8
180.01033	0.9
210.95921	0.9
245.94768	1.0
279.16818	5.1
279.23282	100.0
280.23599	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	279.2329
Annotation	Linoleic acid
Peak:m/z	Relative Intensity
50.66860	2.0
70.91590	4.0
88.46096	2.1
99.88180	1.8
142.86076	2.5
168.43921	2.4
210.37175	2.1
279.23282	100.0
280.23621	8.9
285.47842	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.1395
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03304	5.0
58.99092	3.2
59.01254	57.2
67.65838	3.1
69.45271	24.8
71.01252	12.1
77.25645	3.3
78.48666	3.6
84.23706	3.6
98.20000	11.6
101.02339	6.8
103.82684	3.7
113.02309	5.9
137.09624	8.7
177.12767	7.6
195.13844	100.0
196.14146	7.1
203.13548	3.7
225.71135	4.2
237.14978	6.4
239.12938	8.5
281.24805	13.5
296.42566	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.2123
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03312	0.8
59.01249	4.0
62.77374	0.4
71.01263	0.6
71.33390	0.7
89.02336	0.5
101.02334	1.0
113.02325	0.6
125.09598	3.1
137.09624	1.8
141.12764	1.4
237.22176	1.3
253.51054	0.5
263.20120	0.7
281.21225	100.0
282.21582	9.4
282.24768	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.2122
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03313	0.8
59.01251	4.3
62.83791	0.4
63.37925	0.4
69.56333	0.4
70.73927	0.7
71.01246	1.3
73.02818	0.5
83.04875	0.6
85.02824	0.5
89.02309	0.8
101.02331	0.7
109.06462	0.5
111.08032	5.4
113.02332	0.6
127.11161	2.1
151.11191	3.1
161.04471	0.7
167.14311	0.5
171.10281	0.6
180.00569	0.4
228.29852	0.4
237.22176	2.3
261.49155	0.4
263.20108	0.6
280.82053	0.4
281.21225	100.0
281.24454	4.5
282.21548	8.7
282.24551	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.2485
Annotation	Vaccenic acid
Peak:m/z	Relative Intensity
50.49381	0.5
65.06348	0.5
65.66814	0.5
66.83105	0.5
70.85475	1.2
88.21734	0.4
115.73811	0.5
128.41794	0.5
134.99843	0.5
222.98625	0.5
281.24854	100.0
282.25186	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	283.0612
Annotation	Wogonin
Peak:m/z	Relative Intensity
50.36386	0.3
51.59925	0.4
55.18922	0.3
58.54027	0.3
59.01254	4.5
65.00229	0.8
71.01292	1.3
71.04942	0.4
71.08655	0.4
71.08986	0.5
73.02827	0.4
83.04943	1.0
85.02851	0.6
85.06477	0.5
89.02345	1.1
101.02367	1.2
109.99976	9.4
111.08068	0.5
113.02315	0.6
115.05472	0.5
119.03432	0.7
121.04913	0.6
124.98758	0.4
125.09613	0.4
137.99522	1.3
139.05487	1.5
156.05719	0.4
163.00296	2.9
165.98975	9.9
171.04440	0.8
171.10155	0.6
184.05203	3.3
190.99847	0.6
195.04463	1.3
196.05266	1.2
197.11823	0.7
197.90146	0.5
207.13806	0.5
211.03951	2.4
211.13361	1.5
212.04715	1.0
223.03972	2.0
224.04695	1.2
239.03485	4.2
240.04190	1.5
265.17987	1.4
267.02936	3.6
268.03751	100.0
269.04099	8.4
283.06107	43.3
283.09875	1.4
283.19220	8.1
283.26401	44.5
284.06470	3.9
284.19431	0.4
284.26706	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	273.0103
Annotation	Unknow
Peak:m/z	Relative Intensity
50.70830	0.5
58.22427	0.5
59.01233	0.9
63.22750	0.5
66.59386	0.6
69.58440	3.5
74.08059	0.6
78.95818	1.4
87.00761	1.8
89.44672	0.6
96.95891	1.5
110.98430	2.0
125.00835	10.1
126.00863	0.8
126.98768	30.6
127.98876	1.8
141.97501	2.0
157.03445	0.7
159.01378	1.1
168.99844	100.0
169.23137	0.7
170.00006	9.0
183.01414	3.7
185.02989	0.6
189.34000	0.6
207.96326	0.8
211.00958	2.0
212.98785	0.8
234.01425	0.7
236.17421	0.6
254.99963	1.5
273.03833	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	273.2071
Annotation	CHEBI:79282
Peak:m/z	Relative Intensity
61.98681	1.4
65.00931	0.7
81.13617	0.8
85.60919	0.7
95.84161	0.7
97.06485	0.9
99.08027	4.6
99.92418	1.3
127.07479	1.0
127.11179	3.2
129.09077	1.6
143.10672	2.3
157.12332	0.9
171.10170	2.5
201.11250	1.0
237.18599	1.9
255.19643	11.2
271.19150	4.7
273.03735	1.1
273.07883	1.6
273.20706	100.0
274.21072	7.7
286.59268	0.9
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
59.01250	100.0
70.86388	6.1
109.06453	6.3
111.08058	10.4
114.51746	2.9
117.06653	3.1
125.09630	23.7
127.07555	5.5
153.09119	9.6
155.07103	6.6
171.10191	89.0
172.10504	4.3
173.08099	44.4
174.77208	2.6
176.82170	2.3
197.08049	5.8
211.88103	2.6
215.09186	57.4
216.09610	3.5
233.10281	57.5
234.10503	3.4
275.11444	20.7
276.63406	2.7
293.69995	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	275.2016
Annotation	9,12-Octadecadiynoic Acid
Peak:m/z	Relative Intensity
59.01254	5.5
71.01244	1.4
71.20644	1.5
101.27133	1.1
113.93989	1.0
196.83714	1.1
211.14627	1.3
231.21133	7.9
275.20154	100.0
276.20508	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	277.166
Annotation	Fissoldhimine
Peak:m/z	Relative Intensity
57.58333	0.3
59.01017	0.7
59.01336	4.4
60.97441	0.7
62.79493	0.3
69.37586	2.7
71.01304	0.8
77.23991	0.4
77.38089	0.5
87.02660	0.3
94.45441	0.3
98.20525	0.5
103.02180	0.7
103.69272	0.3
121.03171	4.8
146.99336	0.5
147.08372	4.8
162.98920	0.3
163.02524	0.4
165.00354	12.5
166.00439	0.4
180.99934	1.1
183.01398	0.5
189.04028	1.5
191.05565	11.3
192.05783	0.6
205.07185	1.2
205.15956	1.4
207.05104	1.0
217.07164	0.8
231.08734	2.2
233.10295	100.0
234.10451	9.2
251.11301	0.5
259.15405	0.8
277.09363	1.7
277.16528	92.8
277.21286	23.0
278.16742	10.5
278.21799	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.2171
Annotation	alpha-Linolenic Acid
Peak:m/z	Relative Intensity
57.12801	0.5
59.01253	5.1
69.21783	4.4
71.01250	0.9
77.87353	0.5
82.28339	0.4
83.33965	0.4
94.87995	0.5
98.20160	2.7
103.09899	0.5
205.15831	0.7
208.88422	0.5
233.22668	0.8
259.20538	0.7
272.57861	0.5
275.20392	0.6
277.18301	6.1
277.21701	100.0
278.18777	1.0
278.22076	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	277.217
Annotation	Unknow
Peak:m/z	Relative Intensity
51.59083	0.4
52.13517	0.4
59.01252	5.4
60.80488	0.4
67.05030	0.4
71.01264	0.7
72.12620	0.4
83.04903	0.5
148.67647	0.4
205.15921	1.3
233.22758	0.7
277.18338	6.0
277.21701	100.0
278.18774	0.6
278.22070	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	277.2171
Annotation	alpha-Linolenic Acid
Peak:m/z	Relative Intensity
53.79258	0.5
59.01241	0.9
67.98956	0.5
69.54611	3.3
93.86700	0.5
98.20552	0.6
198.41537	0.5
233.22650	0.7
259.20657	0.9
277.21710	100.0
278.22034	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	279.1238
Annotation	Unknow
Peak:m/z	Relative Intensity
55.95534	13.0
57.03317	28.5
59.01247	33.1
69.48366	100.0
71.01259	23.8
73.02834	15.0
81.61874	13.9
82.06631	13.9
85.02832	34.7
89.02319	16.7
98.17463	15.3
101.02320	31.1
111.79473	14.1
115.57650	13.5
117.05400	12.7
137.09589	24.0
153.87201	16.6
163.11203	48.7
166.02473	14.4
169.43492	14.8
170.57335	15.1
175.11215	25.2
185.54674	14.8
217.12280	77.6
235.13359	25.6
279.08682	24.5
279.23297	63.1
303.45053	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	269.2122
Annotation	Unknow
Peak:m/z	Relative Intensity
56.76273	0.7
59.01249	1.4
70.58918	0.6
70.82309	1.7
88.14714	0.7
98.20007	0.8
126.80030	0.7
132.46991	0.7
169.12263	3.6
171.10155	2.4
233.27728	0.7
251.20125	12.7
252.20506	1.4
269.21228	100.0
270.21539	7.9
293.35565	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.2124
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01240	1.1
60.96178	0.5
71.09208	0.9
77.59773	0.6
89.10393	0.6
113.09587	1.5
150.53079	0.5
155.10686	15.1
156.11023	0.8
171.10216	0.8
231.19199	0.6
251.20168	14.0
252.20485	1.1
269.21237	100.0
270.21613	7.2
294.21036	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.2122
Annotation	Unknow
Peak:m/z	Relative Intensity
51.75833	0.6
54.57162	0.6
57.03310	0.6
62.05825	0.6
70.55855	1.5
71.42431	0.6
101.78284	0.6
125.09618	1.1
127.11127	1.0
141.12794	0.8
155.10696	3.0
169.62201	0.8
171.10165	3.8
172.74939	0.8
225.22214	1.5
251.20117	7.6
269.04596	1.5
269.21213	100.0
270.21524	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	269.2121
Annotation	16-Oxo-palmitate
Peak:m/z	Relative Intensity
59.01239	1.1
59.25478	0.5
68.47171	0.6
69.95947	2.6
73.72710	0.5
73.81409	0.5
77.80810	0.7
81.25212	0.6
81.61190	0.5
89.02293	0.7
98.20444	0.7
102.47655	0.5
111.08044	0.5
127.11153	1.4
155.10631	2.2
169.20323	0.6
171.10185	4.6
225.22197	1.6
233.19247	0.6
251.20114	9.2
252.20509	0.7
269.04568	1.9
269.21213	100.0
270.21606	8.5
270.24582	1.0
278.62485	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.2123
Annotation	16-Oxo-palmitate
Peak:m/z	Relative Intensity
64.78323	0.5
70.10740	2.0
99.08028	1.7
125.34779	0.5
157.08618	1.4
169.12292	8.5
204.64545	0.6
251.20152	16.0
252.20424	0.7
267.19604	1.5
269.21225	100.0
270.21579	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	269.2121
Annotation	Unknow
Peak:m/z	Relative Intensity
53.77266	0.8
59.01244	1.4
70.03671	0.7
70.44891	2.2
71.01235	0.9
98.20322	1.2
107.15853	0.7
113.09586	2.2
118.36364	0.7
157.08601	9.3
223.20522	1.0
225.22157	1.5
231.22815	0.8
251.20108	9.8
266.91534	0.9
269.04507	2.5
269.21213	100.0
269.24619	5.1
270.21603	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	269.103
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01739	8.9
57.03308	5.9
59.01247	46.7
61.98735	3.4
66.08714	3.0
70.88258	7.2
71.01250	100.0
73.02821	37.6
75.00731	3.5
83.01254	14.8
85.02815	53.4
87.00755	4.0
89.02322	7.8
95.01237	9.8
98.20261	4.0
99.00755	14.7
101.02322	80.4
112.81587	3.2
113.02317	37.3
125.02337	5.1
159.02876	10.5
161.04449	20.6
167.81996	3.2
225.22069	3.6
245.88098	3.7
269.04541	4.7
269.10114	5.5
269.21185	54.7
269.24670	10.3
278.62842	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	269.1758
Annotation	CHEBI:66168
Peak:m/z	Relative Intensity
52.76033	0.7
56.62739	0.7
57.03323	4.4
57.03563	0.7
59.01246	2.3
61.98701	1.1
62.06485	0.7
71.01249	2.2
71.04897	3.4
71.45505	1.3
72.02055	1.9
79.10017	0.7
83.04901	1.4
84.64548	0.6
85.02848	1.8
87.04388	100.0
88.04730	2.2
89.91595	0.7
94.83395	0.8
95.56096	0.7
99.04396	3.8
101.05940	1.3
124.07523	0.9
125.09657	0.9
137.09579	1.8
151.60361	0.8
201.52557	0.8
207.17416	6.4
209.15520	0.8
209.33669	0.7
225.14909	1.2
227.07416	0.7
251.16469	0.8
269.04507	2.4
269.17578	49.9
269.21170	13.7
269.24814	3.6
270.17859	4.4
270.21680	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	271.0612
Annotation	(plusmn)-Naringenin
Peak:m/z	Relative Intensity
60.21082	1.1
61.94122	1.1
61.98695	1.2
62.28890	1.0
63.02266	11.5
65.00195	20.8
66.00517	1.3
70.04772	0.9
70.28951	2.3
70.29313	2.6
83.01254	12.6
93.03347	17.6
107.01274	29.3
108.02084	7.0
108.49464	1.1
109.02857	6.2
119.04919	86.9
120.05239	4.1
121.02855	1.3
123.01479	1.3
125.02343	11.1
136.67366	1.0
137.02316	1.1
145.02864	1.4
151.00275	72.7
152.00565	1.7
161.05969	1.7
165.01872	4.8
169.01326	4.0
177.01880	11.6
185.05954	1.4
187.03957	1.4
227.07004	1.3
271.06104	100.0
271.19388	1.7
271.22757	7.1
272.06439	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	269.0667
Annotation	phenyl glucuronide
Peak:m/z	Relative Intensity
59.01235	2.4
67.73492	1.0
69.44189	4.6
71.01247	1.3
87.00742	9.2
121.02863	1.5
122.03604	3.4
124.01518	1.9
131.04895	1.6
136.01503	2.5
136.05196	3.1
137.05020	1.8
137.05984	16.9
139.03894	1.1
147.04510	1.4
148.05205	37.5
149.02379	5.3
150.03133	2.9
151.03801	1.4
163.07550	1.6
164.04695	5.3
165.05519	1.1
168.04222	1.1
179.07056	27.1
192.04247	8.6
207.06563	35.4
208.06903	1.6
209.04497	61.3
210.04828	2.3
225.07671	6.4
227.69511	1.2
251.05579	2.8
269.06650	100.0
269.21207	14.0
269.24866	1.7
270.06952	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	267.1966
Annotation	15-Methoxyisodauc-3-ene-1beta,5alpha-diol
Peak:m/z	Relative Intensity
59.01251	21.8
61.98697	3.5
69.19258	6.1
69.19682	8.9
71.01255	17.9
73.02816	4.9
83.01250	1.8
85.02820	8.5
87.00773	1.8
88.11765	1.6
89.02320	6.9
95.01289	2.1
98.19821	3.2
98.20480	4.4
99.00730	2.3
101.02317	17.3
105.05456	2.2
113.02324	6.3
119.03394	2.5
161.04454	7.5
171.10201	17.5
195.13834	18.6
213.41928	1.6
223.20517	1.9
249.18596	33.5
252.04248	2.6
267.06595	2.9
267.10956	8.1
267.19656	100.0
267.22873	3.9
268.19940	10.0
275.98517	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	267.2328
Annotation	cis-10-Heptadecenoic acid
Peak:m/z	Relative Intensity
58.46190	0.4
65.34454	0.4
70.12328	1.0
70.12701	1.5
82.44067	0.5
103.13803	0.4
111.21803	0.4
117.91039	0.4
154.93907	0.4
267.23273	100.0
268.23590	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	269.0455
Annotation	Baicalein
Peak:m/z	Relative Intensity
59.01238	0.7
65.00197	3.6
67.01759	0.8
68.99690	0.6
69.87206	0.7
69.87617	0.8
71.01250	0.6
75.95428	0.3
85.02820	0.3
89.02301	0.4
95.01262	1.2
96.99209	0.6
101.03848	0.5
111.00744	0.6
113.02330	0.3
117.03335	0.7
120.27180	0.3
123.00755	1.4
126.75412	0.3
127.05434	0.5
136.98700	4.7
137.02467	0.3
139.00261	4.3
139.05461	0.3
141.07021	2.3
142.14288	0.3
142.61559	0.3
143.04932	1.0
145.02869	0.7
151.05423	1.1
155.04909	0.5
157.06479	0.7
164.98236	0.7
166.90979	0.3
166.99753	1.3
167.04935	2.3
169.05127	0.5
169.06497	4.9
171.04463	3.0
171.08037	0.5
173.06064	0.4
179.04922	0.4
181.06447	0.4
181.15807	0.5
185.05940	0.7
186.95518	0.7
195.04439	3.7
196.05130	0.6
197.06004	4.5
199.03935	0.5
201.05402	0.3
207.04422	0.5
212.08607	0.3
213.05518	1.9
223.03935	5.8
224.04565	0.8
225.05577	1.6
240.04366	0.5
241.05040	5.2
242.05342	0.4
251.03458	3.7
251.16492	0.3
252.03992	0.5
268.03882	0.4
269.04541	100.0
269.17572	1.4
269.21213	6.1
269.24734	1.1
270.04889	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	265.1478
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01248	0.5
66.92854	0.3
71.01280	0.3
71.45076	0.3
79.95583	2.0
85.02837	0.6
95.95137	0.7
96.95889	100.0
107.65453	0.3
114.00717	0.4
135.04399	0.4
160.22298	0.3
182.43004	0.3
214.60681	0.3
265.14774	78.6
266.15088	5.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.2171
Annotation	Hydroprene
Peak:m/z	Relative Intensity
59.01236	0.8
60.17149	0.5
63.65984	0.5
70.55186	0.7
70.55498	1.2
80.80851	0.5
90.93449	0.6
96.95885	19.5
162.68379	0.6
186.43631	0.6
247.20450	0.8
265.14847	13.8
265.21710	100.0
266.14990	1.0
266.22037	9.2
280.85126	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.1964
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03318	0.6
59.01236	1.8
62.62588	0.5
68.22929	0.5
70.40363	1.0
70.40741	1.8
71.01250	1.1
73.02823	0.5
89.02333	0.6
97.06531	0.6
98.95488	5.0
98.96167	0.7
101.02332	1.5
113.02345	0.8
113.74568	0.5
119.85095	0.5
123.08034	2.4
125.09624	4.7
139.11162	0.6
141.12741	1.1
223.20596	2.2
267.19641	100.0
268.19965	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	267.1967
Annotation	Unknow
Peak:m/z	Relative Intensity
51.36124	0.5
53.65775	0.5
57.03325	1.2
59.01254	4.1
59.86452	0.4
61.01589	0.5
69.23587	3.7
71.01260	4.5
73.02816	0.7
74.94012	0.5
83.97743	0.6
85.02814	1.4
89.02319	1.2
91.20313	0.5
96.95923	0.7
97.06474	1.0
98.19833	1.2
98.87829	0.5
98.95473	5.3
98.96286	0.7
101.02337	3.2
105.05466	0.8
111.41969	0.5
113.02318	1.5
113.09592	2.3
113.62288	0.6
139.11183	0.6
151.11087	1.0
159.02945	0.6
161.04469	1.4
195.13852	1.3
223.20697	2.1
249.18658	1.2
252.04320	1.2
267.14758	3.6
267.19672	100.0
268.19986	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	267.1963
Annotation	Methoprene acid
Peak:m/z	Relative Intensity
50.23832	0.3
57.03324	0.9
57.04546	0.3
59.01247	1.9
67.87289	0.4
70.10380	1.3
71.01257	1.0
72.18834	0.3
73.38288	0.3
73.62090	0.3
85.02830	0.4
89.02328	0.7
97.06463	0.4
98.95454	2.0
101.02318	1.1
123.08056	2.2
123.26461	0.3
125.09607	4.2
127.11171	0.8
141.12741	0.9
223.20575	1.8
249.18559	0.9
267.19644	100.0
268.19983	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	267.1964
Annotation	Unknow
Peak:m/z	Relative Intensity
53.97139	0.3
57.03319	1.0
59.01246	1.5
70.86229	0.7
71.01251	1.7
72.99181	0.3
73.02805	0.4
75.19038	0.3
83.01283	0.4
83.04866	0.5
85.02815	0.7
89.02296	0.6
96.95882	1.0
98.95470	4.3
98.96310	1.1
101.02295	1.3
105.05486	0.4
111.08047	5.9
113.02330	0.6
125.73827	0.3
127.11207	1.7
137.09615	3.4
139.11133	0.4
151.55067	0.3
153.12781	0.5
161.04471	0.7
161.05879	0.3
171.10191	0.3
172.11725	0.3
193.65196	0.3
217.61032	0.3
223.20673	2.4
249.18582	0.6
267.14789	3.2
267.19641	100.0
268.14572	0.4
268.19949	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	267.1966
Annotation	Methoprene acid
Peak:m/z	Relative Intensity
57.03325	1.8
59.01255	7.4
67.58372	0.8
71.01254	5.9
73.02831	1.3
76.70636	0.8
83.01242	1.1
83.04900	2.1
85.02806	2.7
89.02329	2.4
96.95885	1.0
98.95451	6.9
98.96358	0.9
99.00765	1.3
101.02316	6.1
105.05469	1.0
109.06428	0.7
111.08036	6.4
113.02311	1.7
127.11221	2.2
137.09639	3.3
137.96471	0.8
161.04477	2.1
185.15378	3.2
223.20650	2.7
249.18593	1.0
252.04253	1.4
267.06531	1.8
267.14749	4.0
267.19650	100.0
268.20044	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	267.1965
Annotation	Methoprene acid
Peak:m/z	Relative Intensity
59.01251	7.1
71.01254	5.5
71.04889	37.3
71.34407	0.8
71.54052	0.9
71.61523	0.8
72.05239	0.9
73.02807	1.5
73.42433	0.8
83.04910	2.7
85.02820	2.4
89.02311	2.4
96.95869	0.8
97.02795	1.0
98.95463	3.4
101.02307	5.5
105.89787	0.7
113.02327	2.4
119.03399	1.1
161.04434	1.8
180.83522	1.0
195.17360	0.8
221.67239	1.0
223.20657	8.1
249.18636	8.4
267.06564	1.7
267.14975	2.4
267.19644	100.0
267.22977	3.7
268.19907	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	259.1186
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01246	23.1
69.47643	8.4
78.95755	3.7
87.00833	2.0
97.12486	1.6
98.19799	3.9
98.20393	4.7
109.09681	1.6
137.09631	9.6
155.10681	100.0
156.11107	4.7
171.10185	20.7
181.08556	2.5
199.09695	36.9
199.11505	1.4
209.13779	2.4
217.10764	98.3
218.11073	6.4
225.13631	1.8
227.88452	1.8
259.02310	2.5
259.06049	2.4
259.11826	14.7
264.99304	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.0771
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00486	3.1
59.01250	100.0
70.09502	7.6
70.09888	6.4
71.01258	6.6
85.02818	11.3
98.19863	4.0
101.02320	6.0
113.02335	5.8
141.26381	3.2
263.09689	3.7
263.12912	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	263.2016
Annotation	KDC 165
Peak:m/z	Relative Intensity
53.60675	2.3
59.01243	11.0
69.82326	7.5
69.82719	4.1
71.01244	7.3
73.21576	2.4
84.40963	2.4
85.02826	4.8
93.65532	2.6
101.05862	2.3
111.21606	2.6
113.02359	3.0
131.03389	3.1
137.28017	3.0
138.84987	2.8
263.20142	100.0
264.20404	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	250.072
Annotation	Unknow
Peak:m/z	Relative Intensity
56.80632	1.6
58.70127	1.3
59.01252	2.7
69.44871	7.8
69.45284	2.5
71.01247	5.3
72.82695	1.3
85.90952	1.6
96.99190	1.9
101.02349	1.3
107.04939	1.6
119.04922	10.6
120.04445	100.0
121.02833	1.4
121.04774	3.3
125.42195	1.2
129.01785	2.1
130.06503	5.8
146.06035	11.3
147.04408	2.5
174.05528	83.0
175.05807	5.1
186.76950	1.4
218.04503	11.4
250.14505	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	251.2014
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01258	2.8
61.01685	0.5
67.69222	0.4
69.13752	0.6
71.01261	2.1
71.24675	0.8
85.02832	1.2
101.02319	1.4
113.02320	0.5
233.19054	0.8
251.20140	100.0
252.20451	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	251.2015
Annotation	Hugonianene B
Peak:m/z	Relative Intensity
59.01242	5.8
70.28400	4.0
71.01257	5.9
85.02804	1.8
99.53973	1.2
101.02320	2.8
113.02354	1.8
180.74896	1.3
251.05666	1.6
251.09276	2.0
251.20128	100.0
252.20456	8.9
262.73367	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.2171
Annotation	Delta2-trans-Hexadecenoic Acid
Peak:m/z	Relative Intensity
63.16804	0.7
64.95156	0.7
71.30463	1.3
71.36252	0.6
71.41565	0.7
103.10649	0.7
125.22659	0.8
141.37155	0.7
145.61971	0.7
167.69266	0.7
183.04855	0.7
201.92572	0.7
253.21696	100.0
254.22037	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	255.0509
Annotation	PISCIDIC ACID
Peak:m/z	Relative Intensity
58.00473	4.7
59.01258	1.7
62.66344	0.9
70.67480	2.5
72.99182	44.2
75.00740	2.7
79.05418	0.9
87.00774	1.5
87.48500	0.9
91.55701	0.9
93.03317	8.1
99.00791	2.5
101.54176	0.9
103.12447	1.0
106.04115	2.4
107.04904	11.8
108.02045	1.3
119.04897	2.3
121.02790	2.6
123.04428	1.5
128.41341	1.1
133.02846	5.8
135.04399	2.8
147.04462	5.0
149.05980	10.6
163.03944	2.3
165.05490	100.0
166.05804	5.2
175.03954	2.9
179.03419	30.6
180.03677	1.4
193.04988	27.3
194.05310	2.9
209.04407	2.4
211.06042	1.9
255.05081	93.5
255.23250	2.9
256.05392	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	255.0509
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00470	5.9
59.66426	3.1
70.85760	5.2
72.99184	52.8
77.92073	2.9
93.03345	12.3
99.00758	3.9
106.66454	3.0
107.04912	17.3
111.83793	3.6
119.04919	3.4
121.02884	4.6
133.02878	8.0
135.04362	4.9
149.05997	10.2
150.29587	3.7
165.05486	93.0
166.05811	3.9
166.52592	3.4
168.63744	3.3
179.03433	28.8
193.04973	17.2
194.84862	3.1
203.75697	3.5
255.05081	75.5
255.23279	100.0
256.05426	3.9
256.23547	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	255.1966
Annotation	Lyngbic acid
Peak:m/z	Relative Intensity
57.03318	0.6
59.01248	1.3
61.98721	0.7
70.45110	0.7
70.45457	0.9
83.04901	0.7
93.03362	0.8
111.08054	0.7
113.09610	0.5
125.09615	0.5
130.40424	0.5
139.07527	0.7
143.26317	0.5
153.09126	0.8
157.08626	11.2
158.08951	0.9
165.33891	0.4
173.04495	0.8
190.50728	0.5
195.13869	1.0
219.17593	1.0
237.14835	1.6
237.18578	17.1
238.18906	1.3
253.18039	0.9
255.16086	7.6
255.19664	100.0
255.23280	90.2
256.16339	0.7
256.16968	0.7
256.19983	8.7
256.23648	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	255.1964
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	1.0
69.82552	1.8
75.00726	0.6
85.06457	0.7
93.03357	0.5
96.54115	0.4
99.08038	0.9
99.46345	0.4
116.86243	0.4
158.51152	0.4
165.05473	0.6
169.12271	8.9
171.10135	0.6
237.18559	16.7
238.18933	1.4
253.17998	1.3
255.19627	100.0
255.23251	84.5
256.19965	8.9
256.23599	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	255.1964
Annotation	Muurolane-4beta,5beta,10beta-triol
Peak:m/z	Relative Intensity
53.10925	0.3
57.17351	0.3
59.01248	1.0
69.64002	2.1
71.01262	0.6
79.16357	0.3
79.97153	0.4
98.19971	1.0
98.20494	0.4
99.08028	1.1
127.11184	0.6
151.24562	0.3
153.09171	1.0
155.10689	8.4
156.10941	0.5
165.05544	0.6
171.10170	2.2
211.13481	0.5
219.17500	0.4
237.18578	9.9
238.18997	0.7
253.18188	0.9
255.19664	75.8
255.23279	100.0
256.19995	6.8
256.23633	8.4
274.10730	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.2328
Annotation	2-Hexyldecanoic acid
Peak:m/z	Relative Intensity
50.73371	0.4
61.37053	0.4
62.72754	0.4
71.10754	0.7
73.69885	0.5
90.37790	0.4
161.16896	0.5
198.48393	0.4
204.35605	0.5
204.65158	0.4
210.50447	0.5
255.23273	100.0
256.23618	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	257.1029
Annotation	Unknow
Peak:m/z	Relative Intensity
57.72867	1.9
59.01252	34.1
70.92713	3.3
70.93043	2.3
72.99164	2.0
74.64224	2.1
83.04895	1.7
85.02850	2.4
95.04900	2.1
125.09607	15.9
135.08093	5.8
153.09120	57.6
169.08577	5.8
171.10214	8.1
179.07117	2.7
197.08127	31.2
213.10368	2.3
215.09190	100.0
216.09506	5.4
256.23593	8.3
257.10196	8.0
257.13895	3.2
257.23981	6.5
274.83514	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	257.1393
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03320	7.3
59.01245	2.2
61.98664	1.8
69.63921	7.3
71.01265	5.8
79.24649	1.6
83.04958	1.8
84.02065	1.8
85.02820	27.2
93.03317	2.3
96.25457	1.8
109.02834	2.3
125.09612	7.7
127.11186	7.9
130.01312	1.7
133.02988	1.7
135.04478	2.5
153.09140	3.8
171.10185	100.0
172.10522	8.3
177.12814	3.8
195.10184	2.4
199.09837	1.8
201.11267	57.1
202.11565	2.1
203.10666	5.8
213.11290	12.6
221.11807	23.3
239.12878	64.1
240.13200	4.3
242.02092	3.5
242.97243	1.9
257.08426	2.9
257.11819	19.4
257.14020	6.1
257.17584	2.5
257.23886	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	249.1494
Annotation	(1R*,3Z,7E,11R*)-(-)-7,10,10-Trimethyl-12-oxabicyclo[9.1.0]dodeca-3,7-diene-3-carboxylic acid
Peak:m/z	Relative Intensity
59.01239	20.3
60.03082	4.9
61.98706	26.9
63.50978	4.5
69.03329	8.1
70.45332	14.0
73.02777	6.8
85.02845	6.3
116.36798	4.3
141.22879	5.1
144.38084	4.4
177.01788	6.4
177.96590	7.1
205.08546	11.4
205.12218	5.4
205.15855	15.7
221.15395	6.0
231.13834	7.7
234.05365	6.5
249.03984	10.2
249.07568	18.2
249.11290	7.3
249.12590	5.6
249.14983	59.8
249.22234	7.8
250.14455	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	243.1235
Annotation	9-Hydroxyhexylitaconic acid
Peak:m/z	Relative Intensity
57.03313	2.9
59.01255	79.9
65.99744	2.6
69.21704	6.3
69.22128	9.8
73.02824	4.9
73.57181	1.8
82.02834	2.4
85.38051	1.8
98.19870	5.6
98.20567	4.2
110.02364	4.7
139.11203	46.6
140.11513	3.2
148.04979	2.3
165.09164	2.9
165.35616	2.0
171.04431	2.2
181.12280	31.7
182.12717	2.0
183.10208	61.9
184.10622	3.2
198.28239	1.8
199.13342	24.4
200.05537	2.2
200.13591	2.8
207.05238	1.8
225.11327	18.2
243.02968	7.9
243.06679	2.9
243.12387	100.0
243.16127	4.0
244.12712	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	245.1393
Annotation	CHEBI:78812
Peak:m/z	Relative Intensity
54.48639	1.5
56.73256	1.8
57.03330	3.4
59.01253	3.6
61.98694	2.0
65.01313	1.8
71.49342	2.5
81.22001	1.5
83.01276	2.2
97.06486	2.2
109.26096	1.6
111.01585	1.7
128.97804	1.6
130.55058	1.5
148.05092	2.8
155.14267	2.7
158.03625	1.7
165.12782	18.9
175.03816	2.1
183.13840	20.4
184.14030	1.6
187.09692	2.0
201.14934	10.8
209.11748	9.5
210.12128	2.0
227.12842	60.0
228.13165	3.3
245.04539	2.8
245.08368	12.0
245.13914	100.0
246.14258	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	247.0821
Annotation	Unknow
Peak:m/z	Relative Intensity
53.59226	1.0
58.02845	5.6
59.01257	18.1
69.64667	3.7
69.65077	2.7
82.02862	1.5
87.00758	1.1
97.06466	39.5
98.06796	2.2
100.03957	1.4
118.03181	7.4
123.04385	3.8
124.98229	1.3
125.05933	1.6
143.07047	100.0
144.07352	4.6
145.04982	6.7
159.06516	1.5
167.03429	1.7
187.06026	21.3
205.07133	16.9
206.07515	2.2
247.08122	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.17
Annotation	4-Methoxy-1,9-cadinadien-3-one
Peak:m/z	Relative Intensity
56.99042	0.3
58.34456	0.4
59.01237	0.4
70.03919	1.2
71.01246	1.6
72.99188	0.5
79.95599	0.7
88.08806	0.3
89.02304	0.3
98.20541	0.5
103.03854	0.5
114.77025	0.4
119.04886	0.4
120.67966	0.4
155.16653	0.3
173.08047	0.5
176.99283	0.7
184.00114	3.3
205.15930	0.7
231.13858	0.5
241.17557	0.4
246.98796	0.5
247.06024	1.0
247.17007	100.0
248.07947	4.1
248.17346	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	249.0614
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01759	2.8
57.03095	0.4
57.03322	4.0
58.00456	2.2
59.01253	29.5
64.07743	0.5
67.01752	2.4
68.76541	0.5
68.99687	11.5
69.03332	7.3
71.01255	47.3
71.53340	0.6
72.01614	0.7
72.99184	9.1
73.02821	6.6
75.00750	29.4
81.03329	1.8
83.01266	4.2
83.04878	1.5
85.02827	24.5
86.03165	0.8
87.00756	9.9
89.02308	8.9
91.03887	2.5
93.03329	2.6
95.01264	7.4
97.02815	2.4
99.00761	14.5
101.02337	0.7
103.00259	1.8
109.02819	1.8
111.00771	3.7
111.04430	1.3
112.01535	1.2
113.02334	28.7
114.02605	0.9
115.00250	2.6
115.03879	1.4
117.01814	5.9
129.01842	3.6
130.99759	0.8
133.05064	0.7
135.04456	0.8
139.00198	0.6
147.04411	0.6
148.30414	0.6
157.01332	2.1
169.05083	0.5
169.89818	0.5
175.02409	2.3
178.29936	0.5
189.03976	2.3
219.26007	0.5
231.05069	5.3
249.06129	100.0
249.14934	1.8
250.06467	6.3
250.14435	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	241.217
Annotation	Pentadecylic acid
Peak:m/z	Relative Intensity
59.61628	0.6
60.33970	0.6
71.10918	1.0
71.11264	0.9
74.93263	0.7
89.43836	0.7
95.73764	0.7
103.91872	0.9
147.17097	0.7
153.72360	0.8
155.60155	0.7
164.31555	0.8
175.55745	0.7
180.23651	0.7
219.56926	0.7
223.20685	0.8
241.21686	100.0
242.22018	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	243.0873
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	25.8
64.03604	1.3
71.01577	2.4
82.02819	1.5
82.06479	1.5
96.41808	1.6
106.52713	1.3
106.59180	1.3
109.01567	3.4
110.02346	4.9
111.08052	15.1
119.04913	7.4
119.05640	1.4
121.06464	2.1
130.08643	8.0
139.07547	93.6
140.07870	3.9
155.07053	8.6
157.08623	8.3
163.03903	6.2
183.06552	37.7
184.06822	2.4
199.18077	6.0
201.07619	100.0
202.07901	5.5
242.99631	1.7
243.06418	3.6
243.08727	9.4
243.12328	3.3
243.17123	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	239.0594
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62177	0.2
56.88238	0.3
59.01248	8.1
59.96587	0.6
61.98693	0.3
68.62479	0.2
70.53376	0.5
73.33549	0.3
74.98944	11.4
75.96074	0.4
80.11330	0.2
85.02790	0.4
87.00741	1.1
91.02081	10.8
93.00011	4.8
93.99998	0.3
99.00742	0.4
126.27848	0.2
131.95505	0.2
137.43765	0.2
149.00844	5.0
149.05977	0.4
150.00858	0.4
161.04456	0.9
179.05507	4.0
184.65382	0.2
187.52237	0.2
206.99622	2.7
207.99811	0.3
219.47284	0.3
221.04997	0.3
223.02777	100.0
224.02823	13.8
239.05840	0.9
239.12799	0.5
239.16602	0.3
241.03819	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	239.2014
Annotation	cis-10-Pentadecenoic acid
Peak:m/z	Relative Intensity
59.01244	0.9
66.80485	0.3
70.40407	1.1
81.39838	0.4
102.18052	0.4
179.05511	0.8
239.20125	100.0
240.20438	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	239.0558
Annotation	Eucomic acid
Peak:m/z	Relative Intensity
55.55917	1.0
58.01803	0.8
59.01255	2.8
63.79203	0.9
70.41650	1.7
70.42000	1.7
72.99161	7.8
76.67806	0.8
87.00756	6.6
91.01744	1.2
91.05416	3.0
93.03326	1.3
96.44321	0.9
106.04095	3.8
107.04910	23.3
108.02034	2.6
108.05225	1.4
115.05424	1.5
117.03325	2.0
118.51648	0.8
121.02852	5.7
131.04958	1.2
133.06485	16.1
134.06844	1.0
135.04390	3.1
147.04404	1.1
149.05986	56.9
150.06308	3.2
151.03784	1.0
151.50935	0.8
163.03899	6.0
170.90836	0.9
176.33662	0.8
177.05489	50.4
178.05826	3.3
179.03421	76.5
180.03764	4.7
195.06549	7.8
196.07133	0.9
206.80887	0.9
221.04536	4.3
224.84084	1.0
239.05563	100.0
240.05893	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	235.1336
Annotation	(+)-Oxyglutinosone
Peak:m/z	Relative Intensity
56.49174	1.0
57.03324	5.4
57.46461	1.1
59.01250	2.4
69.11028	1.2
71.01247	1.4
71.33025	1.9
73.02856	1.0
74.29949	1.0
74.66403	1.2
75.89948	1.1
81.96150	1.0
83.04881	1.2
84.30106	1.0
85.02821	6.5
87.04427	1.1
95.04864	1.7
98.20219	1.3
98.95844	1.0
107.04935	1.9
113.05918	1.5
121.06425	1.4
121.10104	3.7
137.09630	19.0
147.08081	5.2
163.11198	100.0
164.11517	8.0
165.12823	1.7
173.09595	1.8
175.11179	3.0
189.12762	1.8
199.11328	1.5
201.09145	10.9
202.09821	1.7
205.64282	1.3
217.12288	52.6
218.12674	6.0
235.13362	91.0
236.13731	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	236.105
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01241	4.9
61.98701	5.4
67.61410	0.5
70.05406	0.6
71.00727	1.1
71.01253	1.8
72.65431	0.6
73.02826	0.7
73.22921	0.6
74.55701	0.5
77.08689	0.7
84.37038	0.6
85.02799	1.5
96.95877	0.8
101.02345	1.4
113.02329	1.3
120.04478	0.7
131.20924	0.7
135.04442	0.8
148.05208	8.1
149.09660	0.7
151.00493	3.3
152.00615	4.7
175.07539	0.9
176.08379	1.0
176.76981	0.6
177.09129	37.9
178.09436	3.4
190.09915	1.2
191.10800	0.8
192.06549	0.8
192.11485	28.8
193.11945	2.7
193.96165	0.6
197.88564	0.6
217.08723	2.2
218.09444	6.5
219.06967	0.7
219.09743	0.7
220.07068	9.5
221.06989	1.1
236.10493	100.0
237.04034	0.7
237.07729	0.9
237.11023	8.6
237.14917	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.0402
Annotation	Unknow
Peak:m/z	Relative Intensity
52.23195	2.3
59.01247	9.1
61.98722	3.2
69.17439	5.1
69.17833	19.4
71.01250	23.5
73.02833	2.6
95.30787	2.3
97.06467	2.3
100.39151	2.4
101.02326	6.5
115.00250	7.2
117.71426	2.6
121.02843	100.0
122.03210	4.6
122.05976	3.1
137.09630	4.0
158.08870	2.5
165.09071	3.4
177.05525	2.7
211.45863	2.5
237.11342	4.2
237.14801	3.5
238.10847	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	239.0559
Annotation	Eucomic acid
Peak:m/z	Relative Intensity
59.01255	51.5
63.70765	2.3
71.01270	2.2
71.07609	3.0
87.00755	18.4
93.03382	3.0
99.00778	2.2
106.04101	5.3
107.04911	38.1
107.45467	1.8
108.02059	4.7
110.21104	2.5
121.02851	8.7
133.06488	15.4
135.04420	3.9
149.04839	3.5
149.05994	52.9
150.06310	4.5
151.13524	2.0
161.04422	5.1
177.05496	53.6
178.05797	3.8
179.03418	100.0
179.05519	35.5
180.03717	7.2
195.06569	5.9
197.50938	1.9
221.04391	3.3
223.02849	2.9
239.05580	96.4
239.12813	2.3
240.05907	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	228.0333
Annotation	Unknow
Peak:m/z	Relative Intensity
55.95495	2.1
69.81831	7.1
69.82224	3.8
79.95163	4.3
79.95608	48.1
80.96397	32.1
85.86565	2.6
98.20516	3.0
106.97960	15.8
120.04486	5.3
152.25687	2.4
162.05466	3.8
164.07164	2.7
228.03308	100.0
229.03555	7.3
229.14513	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	231.0873
Annotation	Unknow
Peak:m/z	Relative Intensity
53.63580	1.5
59.01260	20.4
63.91531	1.5
71.02107	3.5
80.27124	1.8
89.47530	1.8
97.06477	2.4
99.08017	2.1
99.41969	1.9
109.06475	7.4
115.66240	1.8
120.00159	1.9
125.06001	3.0
127.07552	100.0
128.07877	6.4
143.07068	11.3
171.06537	13.7
189.07629	78.9
190.07967	5.7
231.06665	2.6
231.08701	6.1
231.17570	1.9
232.09526	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	231.087
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	20.8
63.47425	1.6
71.52391	2.1
73.10033	1.9
77.56973	1.5
85.32650	1.8
97.06461	3.8
99.08022	2.5
109.06474	9.3
127.07540	100.0
128.07866	4.8
143.07031	15.9
171.06538	10.3
189.07619	73.3
190.07921	5.5
231.06590	3.5
231.08711	5.1
231.17633	3.3
238.09032	1.9
243.44728	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	231.0872
Annotation	Unknow
Peak:m/z	Relative Intensity
55.30959	0.8
59.01254	25.6
69.53580	0.7
70.55295	2.1
70.55668	1.8
71.01273	0.8
80.62905	0.8
97.06470	4.5
99.08027	1.7
109.06476	7.6
124.62403	0.8
125.06026	3.5
127.07543	100.0
128.07881	4.7
143.07053	19.3
144.07309	1.4
165.77998	0.9
168.38441	0.8
171.06522	12.8
172.06908	1.0
189.07616	67.5
190.07925	4.8
217.97040	0.9
231.06619	1.8
231.08490	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	233.1031
Annotation	Unknow
Peak:m/z	Relative Intensity
58.07544	0.7
58.78108	0.7
59.01249	22.3
60.97369	1.0
64.20152	0.7
71.01253	1.1
71.39840	1.1
74.98952	7.0
75.00755	1.6
91.03955	0.6
92.99993	3.7
93.03337	4.5
111.04384	0.9
118.96162	0.7
130.96503	0.9
134.25565	0.7
134.99303	7.0
136.24701	0.7
136.97195	2.6
149.00865	68.4
150.00807	4.5
159.08397	2.4
161.06285	5.2
173.04469	4.1
174.30020	0.6
188.64325	0.7
188.98447	1.6
215.05513	1.3
217.07164	100.0
218.07327	12.3
233.10306	96.0
233.15385	32.7
234.10443	12.4
234.15750	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	235.0457
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82331	3.6
55.01758	6.4
57.03318	6.6
59.01252	18.4
69.03324	20.7
70.59662	5.1
70.59998	8.6
71.01256	13.6
72.99182	48.9
73.02824	4.5
81.03311	4.7
83.01270	8.2
83.04910	8.6
85.02834	12.7
87.00751	34.3
88.03876	3.7
88.71395	3.8
95.01292	6.8
96.95916	3.9
97.02835	64.9
98.00004	5.7
98.19719	3.8
99.00761	11.7
99.13158	3.9
101.02368	3.7
105.03687	52.7
106.37702	3.5
111.00785	15.4
111.04437	7.2
113.02340	21.2
115.03891	15.2
123.00801	5.4
129.17514	3.8
131.03415	4.5
141.01839	100.0
142.02211	5.3
142.99797	7.7
155.03424	19.8
159.02896	12.6
161.00810	11.8
173.04433	4.6
193.05295	12.5
203.01933	50.8
217.03450	22.6
235.06259	8.9
235.08049	4.8
236.05846	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	225.1492
Annotation	Annuionone E
Peak:m/z	Relative Intensity
57.03310	1.0
59.01251	4.0
59.38345	0.4
61.98705	42.1
65.54709	0.5
68.99691	0.7
70.66359	0.6
70.66697	1.2
71.01229	0.6
78.43929	0.5
81.03317	0.6
83.04896	1.5
93.03336	1.3
93.57884	0.5
95.01253	0.8
97.06463	0.5
106.04105	0.5
120.21378	0.5
121.02829	0.5
137.02324	1.5
143.82353	0.6
143.86375	0.8
161.04501	0.5
163.00259	0.6
163.11166	1.7
163.14851	1.4
165.01923	0.5
166.26436	0.5
167.03349	0.7
178.83302	3.5
179.14302	0.5
181.12320	2.4
181.15933	0.6
183.06699	0.5
189.12904	0.7
190.42950	0.5
195.02892	2.1
195.13849	9.0
197.15414	4.3
203.33125	0.5
205.12347	0.7
207.10234	1.9
207.13850	26.8
208.14198	2.6
210.05275	1.9
224.90407	0.7
225.00267	0.6
225.03975	0.8
225.07613	2.8
225.11264	5.0
225.14911	100.0
225.90489	1.0
225.92615	14.4
226.11726	0.6
226.15257	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	225.1492
Annotation	Annuionone E
Peak:m/z	Relative Intensity
59.01247	2.9
61.98704	93.3
68.99709	1.5
71.53075	1.5
73.82231	1.3
81.03338	1.0
83.04903	2.4
92.83904	1.2
93.03320	4.3
99.93466	1.0
101.02326	1.8
104.73949	1.1
109.02872	1.3
109.06507	1.9
117.38036	1.0
121.02739	1.1
123.04424	0.9
125.05968	1.3
137.02315	2.9
137.24088	1.0
143.86383	1.1
144.59044	1.3
151.03888	1.9
153.92252	1.7
163.11139	2.3
165.01839	2.3
177.51491	1.2
178.83328	5.3
180.04242	1.8
181.12251	2.5
181.15912	1.7
195.02908	4.9
195.06401	1.4
196.97530	1.2
197.15431	11.8
207.10184	3.2
207.13800	4.9
208.14015	1.2
210.05243	4.0
224.90433	2.3
225.00327	1.6
225.05623	1.3
225.07619	4.5
225.11618	9.5
225.14906	100.0
225.92612	24.9
226.15263	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	227.1286
Annotation	Traumatic Acid
Peak:m/z	Relative Intensity
57.48182	0.7
59.01252	1.2
61.98697	2.0
65.01299	1.1
70.66808	1.9
83.04909	1.7
97.02770	0.8
98.34028	1.0
99.92467	1.7
111.04434	0.9
111.08041	1.4
125.02345	0.8
129.05392	0.7
133.00983	0.9
137.08177	0.8
139.11150	1.2
140.94554	0.8
165.11365	1.4
165.12755	20.9
166.13121	1.3
180.83025	1.6
183.13828	100.0
184.14175	9.2
199.13336	0.8
209.11694	3.8
227.03392	1.5
227.07199	1.1
227.09210	1.9
227.12845	23.5
227.16460	2.6
227.20071	6.5
228.08813	1.1
228.13181	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	227.2012
Annotation	Myristic acid
Peak:m/z	Relative Intensity
50.82655	0.4
71.00897	0.4
71.11024	0.7
92.81976	0.4
98.19778	0.5
188.17659	0.4
195.11507	0.4
227.20116	100.0
228.20453	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	223.1337
Annotation	3-Oxo-2-(2Z-Pentenyl)cyclopentyl propionic acid
Peak:m/z	Relative Intensity
57.03299	1.6
59.01247	10.2
61.98711	11.9
69.03326	7.2
69.47600	6.1
69.48011	3.6
71.01249	3.1
71.04877	2.1
73.02824	3.8
81.03384	1.7
83.01283	1.3
89.02296	1.7
91.03867	1.9
101.02345	1.4
109.06474	2.2
131.03334	1.5
141.86711	1.6
149.09618	1.9
161.04462	1.5
161.13351	2.1
165.01944	1.7
166.06253	2.7
167.10716	9.0
177.12860	2.3
179.10683	4.0
179.14330	11.4
193.01326	4.6
195.13855	30.3
196.14275	2.3
205.12289	17.8
206.12610	1.7
206.60666	1.4
208.03630	6.4
222.95262	1.5
223.02745	6.3
223.06100	3.5
223.13356	100.0
223.23024	1.4
224.13713	8.4
238.17476	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.1336
Annotation	3-Oxo-2-(2Z-Pentenyl)cyclopentyl propionic acid
Peak:m/z	Relative Intensity
57.03331	1.7
59.01254	8.0
61.98704	13.8
69.03336	7.2
71.01244	3.3
71.04896	2.3
71.24360	1.7
73.02813	4.1
74.98950	1.1
83.04874	1.1
83.09406	0.8
84.91999	0.9
85.06460	1.5
91.03887	2.2
93.03361	1.0
95.04908	1.8
101.02323	1.7
109.06478	2.2
119.85619	0.9
121.02843	1.8
123.07965	1.0
125.09592	2.2
131.03377	1.5
135.11745	1.2
137.05994	1.1
149.00896	1.5
149.02229	1.2
149.09624	1.9
151.03928	2.3
161.13240	2.3
165.01804	2.0
166.06291	1.7
167.10713	10.8
176.83690	1.9
177.12753	0.9
179.10672	3.6
179.14343	9.7
187.86150	0.9
189.38705	1.0
193.01358	5.6
195.13840	33.7
196.14183	3.0
205.10533	1.9
205.12288	23.7
206.12608	2.6
208.03761	5.4
222.95132	1.1
223.02887	8.8
223.06061	3.5
223.13351	100.0
224.02826	1.8
224.13680	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	225.1129
Annotation	Chloriolide
Peak:m/z	Relative Intensity
59.01255	5.2
61.98421	1.4
61.98707	15.2
65.01311	2.3
69.18677	4.4
69.19104	6.4
71.04904	1.0
77.41506	1.0
78.06822	1.0
83.04923	1.8
85.49796	1.1
86.74252	1.0
93.03388	2.4
97.02842	12.1
97.06422	1.3
98.20555	2.2
99.00766	3.4
106.04070	1.7
109.06469	3.5
110.03588	2.2
120.05573	1.1
123.04413	2.1
125.09685	1.2
135.08029	1.9
135.18417	1.0
136.05183	3.0
137.02342	2.9
142.02615	4.9
151.00296	1.0
151.03920	1.9
156.05600	2.4
157.05139	2.0
163.07603	1.3
163.11201	13.3
164.11620	1.6
165.01810	2.8
167.03545	1.6
171.06680	1.7
178.83330	4.6
179.10583	1.3
181.01334	1.2
181.12271	33.5
182.12563	2.8
183.06746	1.1
195.02937	4.9
197.11737	4.2
198.07866	2.2
199.06229	2.2
202.85565	1.1
207.10216	78.1
208.10594	7.5
210.05270	4.7
225.07643	6.0
225.11282	100.0
225.92657	4.0
226.07278	1.4
226.11635	10.6
248.72812	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.0608
Annotation	2-Benzylmalic acid
Peak:m/z	Relative Intensity
59.01256	11.8
63.17846	1.3
65.01315	1.7
71.01242	3.9
71.06522	2.3
71.06864	3.2
73.02808	6.6
78.08750	1.4
85.02834	2.7
87.00748	22.9
87.67478	1.3
89.02342	2.2
91.03916	3.5
91.05407	47.8
92.05744	1.8
95.01243	3.6
101.02325	2.8
109.02835	3.0
115.06728	1.6
117.06989	19.9
123.00797	3.0
131.03520	1.6
133.06491	38.2
134.06805	2.4
135.04401	9.5
137.09634	2.4
151.03918	2.3
161.05995	56.9
162.06322	4.5
163.03922	99.8
164.04286	7.2
165.01834	5.9
168.85582	1.5
177.05521	2.1
179.07024	7.7
183.02057	1.6
193.01363	20.8
196.06212	2.4
205.05013	2.9
208.03719	23.2
209.04062	1.5
223.02614	3.6
223.06062	100.0
224.06430	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	223.0609
Annotation	2-Benzylmalic acid
Peak:m/z	Relative Intensity
55.40799	0.8
59.01249	3.8
63.13626	0.9
67.01762	1.5
67.15656	0.9
68.76041	0.9
69.68630	0.8
70.55250	1.8
71.01254	2.3
73.02828	4.5
85.02819	2.0
91.03913	2.2
93.03339	14.9
95.15972	0.9
98.20232	1.6
101.02328	3.2
107.01265	0.9
108.02020	1.0
109.02844	1.9
121.01964	1.3
121.02845	26.8
122.03191	1.0
123.00751	1.6
131.03442	1.3
135.04391	10.4
137.02322	4.0
137.05968	0.9
147.04396	1.4
148.01501	1.2
149.02354	75.7
150.02678	5.5
151.03955	3.1
152.01062	14.7
163.03922	16.9
164.01047	3.1
164.04710	47.6
165.01846	15.0
165.05063	3.1
165.09045	1.0
166.02107	1.2
167.03400	2.7
169.04977	7.3
179.03406	1.1
179.07034	12.5
179.10857	1.2
180.04283	1.3
193.01372	72.2
194.01660	6.1
208.03728	100.0
209.04083	8.2
223.02649	2.8
223.06091	46.8
223.08005	3.0
224.06477	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	223.0457
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01757	3.3
57.03328	9.6
58.00459	0.7
59.01253	12.2
68.99690	1.3
70.81326	0.8
71.01258	17.9
72.99190	8.0
73.02808	1.4
74.98968	1.0
75.00747	8.1
81.03331	0.4
83.00802	0.7
83.01268	9.6
83.25246	0.3
84.02054	3.5
85.02830	100.0
85.26804	0.4
86.03173	3.6
87.00730	2.1
89.02322	3.9
96.95906	1.1
97.02895	0.5
97.64051	0.4
99.00764	3.6
101.02340	2.0
101.75715	0.4
103.00247	2.1
107.01588	0.4
111.00770	4.5
115.00266	3.0
117.14069	0.3
125.02332	1.8
129.01849	4.1
133.01321	3.4
135.01086	0.8
135.04669	0.4
136.99023	0.5
143.03392	3.7
145.01237	0.4
147.02910	4.0
152.91640	0.7
165.01886	0.7
173.00850	2.2
191.00200	0.8
191.01909	15.6
192.02380	0.7
193.01401	2.8
205.03560	0.8
208.03719	2.9
223.02594	0.9
223.04555	5.5
223.06192	1.1
223.07979	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	215.1284
Annotation	UNDECANEDIOIC ACID
Peak:m/z	Relative Intensity
55.88082	0.4
57.03326	1.1
59.01251	2.7
61.98713	2.0
65.01295	0.5
67.01791	0.4
71.01244	1.0
71.04907	0.5
71.52759	0.5
72.99191	0.7
73.02795	0.8
82.03976	0.3
83.04909	0.8
89.02341	0.7
92.74914	0.3
93.03329	2.7
93.53680	0.3
99.00756	0.5
99.92448	0.4
106.03995	0.6
111.04401	0.8
122.89321	4.0
125.09605	1.1
130.03958	0.4
133.03958	0.4
134.03520	0.4
137.02307	1.8
144.00810	4.1
146.03421	0.5
151.11220	1.0
153.12756	44.4
154.13104	3.1
155.03398	0.9
171.01924	0.8
171.10155	0.4
171.13802	0.9
172.00298	0.5
173.04552	0.5
186.89662	1.9
197.11766	30.8
198.12128	3.4
215.00926	28.8
215.05505	1.1
215.12830	100.0
215.99480	0.4
216.01262	2.5
216.08801	0.6
216.13161	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	217.1077
Annotation	3-Hydroxysebacic acid
Peak:m/z	Relative Intensity
57.03308	1.9
59.01250	5.9
65.01316	1.0
65.99697	0.9
68.01294	0.6
71.01255	0.9
73.02821	0.9
79.94877	0.5
83.04903	1.1
87.00726	0.6
87.19186	0.4
98.19806	1.5
100.03581	0.5
106.03992	0.8
107.02406	0.6
108.01874	0.5
119.02414	0.7
121.03987	0.5
125.09598	1.3
127.11179	2.8
133.05145	0.6
137.09631	3.3
144.05559	0.5
146.08162	0.7
146.21057	0.6
148.05051	1.8
153.09106	1.6
155.10689	41.1
156.11061	3.0
171.10185	60.9
172.10541	4.8
174.99185	0.9
175.06171	1.1
175.11191	1.0
181.08618	0.9
189.05522	0.6
190.06189	0.8
199.09689	6.1
217.10750	100.0
218.04549	0.8
218.11052	8.9
218.13062	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	218.0454
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03322	1.2
59.01253	2.1
60.58347	0.9
70.71023	1.0
71.01257	4.6
71.03828	1.1
71.53312	1.4
72.47776	1.2
75.00730	1.2
83.04876	1.1
96.99178	2.9
102.03366	1.5
106.03951	1.0
119.04922	11.4
120.04446	100.0
121.02839	2.1
121.04790	4.2
130.06526	2.9
133.10130	1.9
141.07004	1.2
145.06482	4.0
146.06021	13.2
147.04434	2.0
147.06502	1.1
148.05061	1.5
149.03444	1.0
157.06480	3.3
159.04419	1.1
159.08052	9.4
160.08847	5.8
173.09612	2.4
174.05522	40.1
175.05917	3.1
175.07443	1.0
175.11203	28.0
176.04572	1.0
208.21869	1.1
218.12721	1.5
219.02986	1.7
219.06631	2.6
219.10263	8.8
219.17494	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	219.1023
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03323	1.2
59.01248	5.0
65.99727	0.9
67.36909	0.8
69.23598	0.6
69.78823	0.7
71.01250	1.2
71.53448	0.9
75.00738	1.4
82.04021	0.8
83.04909	1.8
91.09931	0.8
93.07011	1.1
98.20297	0.7
107.78767	0.8
119.04886	4.1
120.05601	0.8
121.04046	0.8
133.10144	4.5
135.64502	0.8
141.07037	4.1
145.06517	8.7
147.04454	0.7
147.08012	0.7
148.05118	1.1
148.27693	0.9
151.42970	0.7
155.08582	1.7
157.06503	4.9
157.10144	2.8
159.08063	24.7
160.05173	1.0
160.08865	19.6
161.09203	1.7
173.09624	7.9
175.11206	100.0
176.01080	0.8
176.11586	9.3
179.80374	0.7
191.03448	1.0
204.04150	0.9
205.12219	1.2
219.02911	1.4
219.06703	1.9
219.10239	23.8
219.17488	19.7
220.05971	0.8
220.10504	3.0
220.14641	6.4
220.17822	1.3
225.02809	0.7
226.26132	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.1022
Annotation	Unknow
Peak:m/z	Relative Intensity
53.90268	0.7
58.31141	0.7
59.01247	5.5
65.44902	0.7
65.99752	0.8
69.41118	4.9
75.00784	0.8
81.03367	0.7
83.04916	1.2
86.27555	0.7
90.05932	0.7
91.05432	2.0
93.07009	1.0
97.06500	1.4
98.20573	0.6
103.63472	0.7
119.04922	5.7
130.04158	0.7
133.10110	4.4
141.07002	4.3
143.04907	0.9
145.06496	11.6
146.06793	1.2
155.08513	1.0
157.06519	6.2
157.10138	2.1
159.08075	26.6
160.08864	16.5
161.09183	1.3
172.64182	0.8
173.09630	9.5
174.09930	1.1
175.11201	100.0
176.11551	7.1
176.14722	0.7
187.32025	0.8
219.06834	1.0
219.10204	25.7
219.17458	6.5
220.10484	2.6
220.14630	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.0279
Annotation	Unknow
Peak:m/z	Relative Intensity
51.82162	0.1
59.01254	0.9
59.96601	0.9
61.98700	2.5
70.91466	0.3
71.01244	0.5
73.02826	0.8
74.98945	17.1
75.96104	0.8
75.98902	0.5
85.02804	0.3
91.03884	0.3
93.00008	9.0
100.51892	0.2
101.02296	0.4
123.00783	0.2
131.03392	0.3
141.86777	0.2
149.00856	12.4
150.00790	0.8
150.98782	0.8
151.03868	0.4
176.83629	0.6
193.01355	0.7
206.99638	5.4
207.99652	0.8
208.03680	0.9
208.97578	0.3
223.02779	100.0
223.13364	0.6
224.02812	14.6
225.00647	0.4
241.03862	2.0
242.03893	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1128
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03304	0.7
59.01250	2.0
61.98717	3.4
65.01328	1.6
69.03325	2.1
71.01270	0.6
71.04906	0.7
72.99207	0.8
83.04903	1.0
87.00742	1.3
97.02809	0.9
97.06498	1.5
99.04359	0.6
105.04494	0.8
106.03999	1.6
107.24061	0.5
125.09645	1.1
126.33001	0.7
130.03972	0.7
144.05600	0.6
144.84941	0.6
151.11212	13.3
152.11560	1.1
160.05080	0.9
166.24144	0.6
169.12273	100.0
170.12630	7.3
171.06685	1.6
183.13876	1.9
186.07939	0.7
187.06152	1.8
194.99394	0.6
195.10229	1.5
195.13855	2.0
213.05650	1.3
213.07739	2.8
213.11273	18.3
213.14824	7.9
213.18623	2.0
214.07297	1.1
214.11610	1.8
214.15123	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.149
Annotation	Putaminoxin E
Peak:m/z	Relative Intensity
57.03321	0.6
58.48544	0.5
59.01234	1.7
61.98706	5.2
65.01318	1.5
70.09927	0.9
70.10275	1.7
74.88904	0.6
75.05470	0.6
83.04920	0.7
87.00755	1.1
87.06157	0.6
97.02876	0.7
97.06453	0.8
98.19804	0.6
99.92508	0.7
106.03989	0.6
114.05434	0.6
123.04382	0.8
125.05969	0.6
151.11188	1.0
165.12772	0.6
167.14290	1.0
169.08609	0.6
169.12231	1.5
170.90234	0.6
171.06705	0.9
172.06281	0.7
183.13860	6.1
184.14008	0.7
187.06311	1.3
195.13841	16.9
196.14174	2.3
211.13417	1.3
213.07660	2.0
213.14905	100.0
214.07343	1.0
214.15259	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	213.1127
Annotation	1-Methyl-3-(1-methylethyl)-1,2-cyclopentanedicarboxylic acid
Peak:m/z	Relative Intensity
57.03317	0.9
59.01235	2.1
61.98702	2.2
63.83838	0.7
65.01318	2.5
66.47709	0.7
69.03336	1.3
70.59069	1.5
71.01274	0.8
81.74686	0.7
83.84180	0.7
85.02794	0.8
87.00759	2.0
91.02905	0.7
93.03329	2.0
97.06470	1.1
106.03967	1.7
107.02457	0.8
107.11434	0.6
114.05460	0.9
116.22392	0.7
118.03979	1.0
120.05573	0.8
120.89804	0.8
121.03936	0.7
123.04413	0.8
130.04012	1.5
144.05547	1.1
151.11180	12.3
152.11588	1.1
159.02910	0.8
160.05064	1.3
169.12259	100.0
170.12593	7.6
171.06682	1.2
172.04967	1.2
172.06268	1.6
183.13853	1.9
186.06558	1.8
187.06180	2.5
195.10240	1.7
195.13857	1.6
200.39856	0.7
213.01357	0.8
213.05482	2.2
213.07715	3.6
213.11203	13.4
213.14819	7.3
213.18518	2.6
214.07309	2.3
214.11537	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1334
Annotation	7-Oxo-11-dodecenoic acid
Peak:m/z	Relative Intensity
57.03319	0.8
58.23903	0.7
59.01248	3.3
61.98702	15.9
69.03322	1.9
70.90839	1.6
71.01254	0.9
75.68758	0.6
81.56945	0.7
83.04910	1.4
85.02841	0.8
95.01249	1.4
95.04901	1.1
97.06452	1.0
111.04442	1.0
121.02853	0.9
123.00757	0.9
123.04414	1.4
123.08089	1.2
124.01571	0.8
125.02311	2.0
137.02338	2.5
137.05983	0.9
139.03825	1.3
148.01474	0.8
149.05914	0.8
150.03087	0.9
153.01819	1.1
163.04008	0.7
165.12698	0.8
166.90961	1.5
166.93739	0.8
167.07135	1.5
167.10690	3.1
167.14354	1.8
181.01350	1.5
181.04909	1.1
183.13832	14.4
184.14174	1.0
193.05019	1.1
193.08612	0.8
193.12291	5.2
193.13846	1.0
196.03757	1.6
210.94946	1.9
211.04080	1.3
211.06068	5.0
211.09871	3.2
211.13330	100.0
211.94670	2.1
212.07387	0.9
212.13663	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	213.1127
Annotation	1-Methyl-3-(1-methylethyl)-1,2-cyclopentanedicarboxylic acid
Peak:m/z	Relative Intensity
55.01744	2.3
55.65221	1.1
57.03316	1.4
59.01244	4.0
59.69139	1.1
61.98700	11.7
62.28637	1.2
68.99683	1.0
69.03330	9.1
70.91376	2.8
71.01254	2.5
71.04890	100.0
72.05240	3.1
73.02793	1.6
83.04874	1.5
85.02821	2.2
87.00761	4.2
87.04380	2.3
95.04913	1.6
97.02833	11.5
97.06458	8.0
99.00778	1.3
99.08015	2.0
113.09579	2.9
115.03901	21.8
115.07535	16.4
121.89587	2.6
123.08052	2.4
125.09608	5.0
127.11182	49.6
127.12125	2.6
128.11513	2.5
141.09113	4.4
144.05527	1.8
151.11154	9.6
160.59825	1.4
169.12259	79.0
170.12643	6.7
171.10146	1.3
175.48039	1.3
183.13821	3.6
194.99178	1.5
195.13803	3.1
213.05537	3.1
213.07660	3.8
213.11273	21.7
213.14890	24.3
213.18436	6.1
214.07144	1.5
214.11523	1.4
234.71144	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1126
Annotation	Unknow
Peak:m/z	Relative Intensity
53.40483	0.4
57.03322	0.9
59.01245	1.0
61.98701	1.5
65.01324	1.5
65.99731	0.6
69.03336	1.0
69.57411	2.6
71.01263	0.7
71.04887	0.6
73.02835	0.7
81.03346	0.5
83.04907	0.6
87.00767	1.1
97.02802	0.7
97.06474	1.4
106.03960	0.7
109.02958	0.5
115.07569	0.5
121.02866	0.6
123.04393	0.8
130.03992	0.4
139.04041	0.4
144.05617	0.7
151.11188	12.1
152.11520	1.1
159.97491	0.5
169.12253	100.0
170.12602	8.5
171.06708	2.2
172.06238	1.3
183.13826	1.8
187.06210	1.7
195.10208	1.3
195.13832	1.1
213.01891	0.8
213.05678	0.8
213.07684	1.9
213.11259	16.1
213.14810	5.0
213.18489	1.1
214.07343	1.1
214.11641	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	206.0817
Annotation	2-acetamido-4-methylphenyl acetate
Peak:m/z	Relative Intensity
55.54598	1.1
58.02849	38.5
59.01239	3.3
65.01298	2.5
65.99706	1.0
67.42265	1.0
68.01237	1.2
69.54975	6.2
70.02856	13.1
72.00792	7.2
74.72437	1.2
75.00732	1.0
79.93311	1.1
83.01247	1.3
85.02847	1.0
87.33631	1.0
91.05405	5.1
93.03338	1.5
98.19646	1.0
108.69069	1.1
121.02810	1.4
135.04387	4.2
137.09608	3.7
141.43866	1.1
147.04422	44.2
148.04750	3.6
148.25757	1.0
149.02327	1.9
162.09116	1.7
163.03828	3.7
163.07521	1.5
164.07083	100.0
165.07471	9.2
177.01833	8.7
190.99869	1.2
192.00589	2.8
192.04253	9.1
206.08150	32.6
206.16194	1.2
207.02887	2.7
207.04895	1.2
207.06570	6.8
207.08513	3.2
222.67174	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.0297
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01763	1.0
57.03328	10.7
57.46947	0.8
58.99483	0.9
59.01249	11.8
69.56263	1.0
70.90818	1.8
71.01255	23.9
72.01564	1.2
72.99177	5.9
73.02842	0.9
74.99009	0.9
75.00755	3.9
76.69923	0.9
81.27129	0.8
83.01260	3.3
84.02036	2.4
85.02827	100.0
86.03193	2.1
87.00759	3.4
89.02320	7.4
93.03298	1.5
93.39921	1.0
103.00275	1.4
104.04958	1.3
109.02863	1.2
111.00793	2.7
115.00294	1.7
121.02835	9.2
124.03926	2.4
125.02383	1.0
125.34624	0.9
129.01826	7.9
133.01312	10.0
135.04402	1.8
137.06079	1.7
142.99727	1.0
147.02892	4.7
148.03941	1.4
150.03165	1.2
151.03955	1.6
153.09111	3.8
161.02380	2.4
165.05533	3.3
165.09233	1.1
166.05016	2.9
167.03340	1.2
173.00975	1.2
176.04758	1.0
179.03445	3.7
191.01897	25.8
191.03578	1.9
191.10753	1.1
192.02266	1.5
194.02127	2.1
194.05716	4.4
209.02963	24.3
209.04596	6.7
209.08154	2.9
209.11737	2.5
210.03413	1.5
210.07654	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.1591
Annotation	(E,E)-4,4,8-Trimethyl-2,8-cycloundecadien-1-one
Peak:m/z	Relative Intensity
52.47904	0.2
56.08466	0.2
59.01253	0.3
61.69640	0.2
65.03849	0.3
70.87166	0.5
71.01277	0.4
81.52836	0.2
86.15866	0.2
94.66095	0.2
105.16387	0.2
107.53486	0.2
115.00201	0.2
121.27235	0.2
161.02444	0.3
161.05971	0.5
162.89294	0.3
163.03876	0.2
164.07088	0.3
177.01898	0.4
183.36632	0.2
189.12761	1.6
205.01445	0.4
205.05003	1.0
205.15913	100.0
206.16267	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	206.0427
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	36.0
68.99673	9.6
71.01242	23.9
71.52582	9.1
72.99181	22.4
73.02817	11.6
75.00764	8.6
78.36071	6.7
83.01275	7.0
87.00744	42.2
93.27975	5.8
99.00755	18.5
99.45226	6.0
100.05988	5.7
101.02325	10.4
103.00248	11.2
112.01127	6.6
112.98669	12.8
113.01412	6.2
115.00262	9.3
127.00243	19.1
127.34502	6.6
129.01813	9.8
130.99748	70.8
133.98067	6.2
144.00543	9.3
145.01320	39.5
146.75575	6.4
149.02335	13.6
157.01303	13.0
163.07550	13.3
164.06970	10.3
177.01869	99.9
192.04224	100.0
197.33266	6.4
206.08147	8.6
207.02888	16.2
207.06625	32.9
207.08369	8.7
207.10333	15.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.0351
Annotation	Unknow
Peak:m/z	Relative Intensity
55.07231	1.7
58.02850	2.4
59.01244	4.5
65.01310	4.2
65.99721	4.7
67.01764	3.9
68.01315	2.0
69.79125	7.4
71.01263	5.7
72.99187	43.6
73.02841	3.5
75.00762	2.7
82.04012	1.8
83.01267	7.8
83.02386	1.7
85.02830	11.8
87.00752	3.8
89.02877	1.5
93.04430	1.4
95.02412	2.0
95.08020	1.3
98.20335	4.6
99.00758	4.2
99.04390	1.8
101.02324	4.3
105.71986	1.9
106.04092	1.8
107.02402	3.4
109.03982	2.7
111.00774	100.0
111.51785	1.4
112.01100	3.7
113.53624	1.3
115.00249	5.5
119.02411	1.4
120.05518	3.0
121.02847	1.9
121.03935	2.1
121.05092	9.2
121.06513	1.8
122.03506	2.3
129.01828	5.0
133.02888	1.7
133.06474	1.8
134.03433	2.5
135.01875	1.9
135.05592	2.6
136.05055	3.9
143.03418	4.4
145.05116	1.4
147.04436	2.1
151.05063	2.1
154.99805	14.8
160.05159	2.0
161.06039	3.4
162.06508	1.9
162.89287	1.5
163.06158	3.4
164.04605	3.3
164.07091	4.1
173.00870	12.1
177.05534	2.1
178.06122	4.9
190.02646	2.3
205.01364	4.3
205.03406	3.0
205.05045	8.5
205.07175	5.9
205.08827	2.7
205.12354	4.5
205.15909	11.6
206.08392	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.0347
Annotation	Unknow
Peak:m/z	Relative Intensity
53.15002	1.3
55.01507	1.4
55.01751	5.4
57.03316	2.5
58.00460	1.9
58.02846	2.3
59.01249	48.2
63.42485	1.2
63.54157	1.8
67.01758	5.9
67.41255	1.4
68.99680	9.7
69.03346	1.7
70.38359	2.6
71.01251	56.0
72.01613	1.9
72.99176	69.7
73.02813	11.5
73.08876	1.3
75.00748	32.0
81.03334	11.4
83.01254	11.4
84.99230	1.6
85.02805	8.7
87.00749	42.5
89.02322	5.0
96.99166	6.3
97.06483	1.5
97.16843	1.3
98.19828	1.6
99.00756	35.0
99.04405	2.2
100.98648	2.4
101.02315	9.1
103.00247	5.7
103.85082	1.6
103.87591	1.4
111.00761	100.0
112.01078	4.9
112.98684	4.2
115.00256	59.9
115.00959	1.0
115.03883	2.8
116.00549	1.9
117.01828	14.6
118.03197	3.1
124.34340	1.6
124.98667	8.6
125.02331	35.1
126.02640	3.3
127.00263	7.4
129.01825	13.7
130.30685	1.6
130.99736	6.5
133.62677	1.5
142.99780	16.4
143.03410	11.6
143.07048	2.8
144.00508	1.7
145.01349	14.3
145.04930	2.1
154.99762	21.8
157.01324	3.0
159.02904	2.1
161.05963	1.6
169.01299	2.1
173.00833	11.7
175.02449	3.7
183.94548	1.7
184.77266	1.5
187.05936	2.2
197.25496	1.6
205.03439	20.2
205.05054	2.6
205.06943	2.7
205.15875	2.5
206.04066	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.1229
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01746	1.7
56.57155	1.0
57.03328	5.7
58.02852	1.7
59.01245	4.4
65.01308	3.6
65.99725	3.1
67.02882	1.2
68.01275	1.3
69.03295	1.7
69.43976	7.4
71.01239	3.5
72.99186	3.9
75.00762	1.3
76.76382	1.1
81.03332	2.7
81.04456	1.4
82.03974	1.0
83.02389	1.2
83.04899	6.9
85.02814	4.5
87.00739	1.5
93.03336	1.6
93.06966	1.8
95.02360	1.3
98.19839	2.1
99.00700	1.1
99.48981	1.0
105.03348	1.4
105.04408	1.1
105.07009	1.2
106.04128	11.5
107.02391	2.1
107.04924	4.7
108.02055	1.3
109.03958	2.5
109.06492	2.7
111.00745	3.4
115.00206	2.2
119.02323	2.5
119.04914	1.3
121.02760	1.4
121.03992	2.2
121.05086	4.0
121.06479	23.7
122.03548	1.2
122.06831	1.7
123.01879	1.7
123.08075	1.7
131.04932	3.1
133.02875	1.5
133.06488	2.0
134.03574	3.6
135.04387	2.1
135.05446	1.9
136.05138	2.7
137.03441	1.2
143.36887	1.2
145.06541	2.2
146.03487	1.3
147.04297	1.1
147.08075	10.7
148.05106	2.6
148.08414	1.2
149.05991	8.5
149.09584	8.3
151.04883	1.3
159.08035	3.1
160.08844	9.1
161.02338	1.5
161.06027	2.9
161.09651	15.4
163.00204	2.0
163.06125	2.2
163.11189	48.3
164.04547	1.4
164.07101	3.1
164.11526	5.0
171.08054	6.7
175.11208	87.1
176.04517	1.4
176.11530	7.7
177.12782	7.1
178.02464	1.3
178.06175	3.2
187.11217	29.1
188.11569	3.3
189.09149	4.0
190.02576	1.4
190.09912	8.3
191.10239	1.5
203.10713	2.3
205.01334	2.2
205.05006	7.2
205.12283	100.0
205.15950	6.8
206.08116	1.8
206.12621	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	201.1126
Annotation	Sebacic acid
Peak:m/z	Relative Intensity
51.39205	0.6
57.03328	6.7
59.01250	29.6
61.98709	1.4
63.95320	0.7
65.01302	3.9
65.99725	1.6
66.00853	1.5
69.03317	1.0
71.04857	1.0
71.08395	1.3
73.02782	0.9
81.04477	0.7
82.03989	2.7
83.04890	0.7
85.02849	1.5
87.04401	2.5
91.02894	1.9
99.92460	3.0
105.04436	1.0
106.03991	2.6
111.00764	0.9
111.08037	7.2
116.92731	1.8
118.04034	0.8
119.02444	1.6
120.05539	1.1
121.03982	0.9
125.09615	1.0
130.04025	1.0
132.05507	3.6
133.03961	2.7
133.05081	1.4
134.03557	1.1
137.09642	2.0
139.11182	100.0
140.11516	8.0
141.93536	3.2
142.03984	1.0
146.03516	0.9
147.05580	0.9
157.05084	0.9
157.12273	1.9
158.03595	1.6
159.02992	1.2
159.06665	1.7
160.05066	2.0
164.83612	1.0
173.06004	2.2
174.06656	3.8
175.06178	3.2
183.10179	34.8
184.10460	3.6
201.02272	2.7
201.05580	3.3
201.07727	4.2
201.11253	97.1
202.07256	2.4
202.11595	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	201.149
Annotation	11-Hydroxyundecanoic acid
Peak:m/z	Relative Intensity
52.63439	0.3
59.01250	17.7
61.98688	1.3
63.21251	0.3
65.01316	1.3
65.99741	0.3
66.00848	0.6
69.03310	0.3
69.49340	1.9
70.69099	0.3
71.01254	0.5
71.91872	0.3
72.75787	0.3
82.03986	0.7
87.04381	1.6
98.19829	0.6
99.34071	0.3
99.92446	1.5
103.37280	0.3
106.03993	0.5
111.00775	0.4
111.08041	0.3
116.92771	2.0
119.04838	0.4
121.05087	0.4
125.09621	1.0
125.10661	0.3
127.11101	0.4
131.03503	0.4
132.05560	1.0
133.04013	0.6
134.03450	0.5
139.11221	1.5
141.93547	1.4
148.05016	0.5
155.14310	6.0
157.06451	0.3
158.89201	0.3
159.01459	0.4
159.06638	0.7
160.05066	0.5
164.83519	1.2
166.83282	0.4
173.05954	1.1
174.06543	1.1
175.06175	0.8
183.10107	0.6
183.13821	2.4
199.13342	0.8
201.02313	1.3
201.05516	2.3
201.07693	1.2
201.11198	3.7
201.14893	100.0
201.80161	0.7
202.02740	0.5
202.05217	0.3
202.07350	0.4
202.15230	9.1
210.99660	0.4
214.94757	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	199.1332
Annotation	UNII-UOM92D5748
Peak:m/z	Relative Intensity
55.01758	0.8
55.90047	0.6
55.96721	0.6
57.03309	1.4
59.01258	3.2
61.75714	0.6
61.98700	3.7
65.01308	2.7
65.99725	0.7
67.01770	0.7
68.99673	1.0
69.03301	1.2
69.20522	5.1
71.01233	3.0
71.04880	2.5
73.02789	1.7
74.02332	0.7
81.03305	1.2
83.01259	1.7
83.04900	1.4
85.02822	5.3
87.00706	1.1
89.01289	0.6
90.00864	0.6
93.03337	1.0
95.04892	0.6
97.02818	1.1
97.06396	0.8
99.00748	3.5
99.04401	1.9
99.08029	1.9
99.92396	0.8
105.04488	0.7
106.03968	1.1
111.00748	1.9
111.04356	1.0
111.07986	1.0
113.02294	3.6
116.02423	0.7
125.02328	1.4
127.00237	0.7
127.03858	2.7
127.11179	0.6
130.03990	1.5
131.03485	0.7
137.05974	1.3
137.09619	1.5
139.03889	1.8
145.03923	0.8
145.04956	0.9
146.03485	0.6
153.12747	2.0
155.03496	0.6
155.06992	1.3
155.10689	9.6
155.14464	0.6
156.89394	1.0
157.05046	1.2
158.03464	1.0
158.04625	0.9
162.83821	5.9
163.11200	0.9
164.83516	5.0
169.12244	8.5
170.12624	1.1
171.99324	0.7
172.05013	1.7
172.06310	0.8
173.04581	1.4
177.74619	0.6
181.05063	1.3
181.12256	23.6
182.12619	2.4
197.11717	1.2
199.06090	8.6
199.09760	3.0
199.13322	100.0
199.16939	3.6
199.80444	5.3
200.05830	0.8
200.09357	0.8
200.13678	10.1
200.17278	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.1177
Annotation	(-)-Hydroxydihydrobovolide
Peak:m/z	Relative Intensity
59.01249	2.4
59.13689	0.5
61.98712	3.1
61.98965	0.5
65.01313	1.8
68.25973	0.5
69.03327	2.4
69.81891	1.6
71.01250	1.3
71.04890	0.7
80.87880	0.5
81.03340	1.3
83.04884	1.7
83.05380	0.4
85.02831	0.8
90.73241	0.6
91.01794	0.6
95.01266	2.5
95.04887	0.9
95.07570	0.5
96.95876	0.6
97.02831	0.8
97.06464	0.9
109.02838	1.1
109.06500	1.3
111.04382	0.7
112.01534	0.9
116.92741	3.2
121.02856	1.5
123.00772	8.4
123.04427	1.1
123.08046	1.2
125.02390	1.2
125.05984	1.1
126.90379	1.8
137.02336	1.2
138.03130	2.4
139.00238	1.0
141.09134	1.1
144.05626	0.7
151.11145	0.8
153.05479	2.3
153.09123	3.1
153.12775	5.8
153.13913	0.9
155.38986	0.6
157.05042	1.4
160.84120	8.5
161.84200	1.0
162.83830	20.9
166.99768	6.7
169.12259	18.9
170.03560	0.9
170.07170	0.8
170.12569	1.6
171.06708	3.3
174.30258	0.6
179.03461	1.2
179.10724	2.3
182.02124	14.1
182.45346	0.6
197.04526	6.5
197.08203	4.3
197.11775	100.0
197.80746	10.6
197.90216	0.7
198.04060	1.3
198.07948	1.0
198.12115	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	199.1334
Annotation	(-)-NFX 2
Peak:m/z	Relative Intensity
57.03320	6.6
59.01249	11.0
65.01313	20.9
65.99709	4.9
66.00838	4.9
68.01276	4.6
69.03325	4.2
71.01257	11.9
71.04894	20.5
71.53472	4.3
72.99168	8.2
73.02814	13.2
83.01270	8.5
83.04921	5.7
85.02818	28.7
89.01332	6.1
91.02887	4.7
97.02853	4.4
97.06478	5.3
99.00764	11.4
99.04382	4.5
105.04454	6.1
106.03986	11.3
111.00787	6.4
111.08039	4.0
113.02316	13.3
115.62085	3.8
116.02409	4.6
123.04351	6.4
125.06015	5.2
127.03889	13.6
128.49467	3.6
130.03978	13.3
131.02412	5.0
131.03532	7.9
133.21358	4.2
137.05980	6.6
137.09579	13.1
139.03911	7.5
139.11166	14.7
140.04956	5.1
145.03970	4.8
146.03514	8.0
153.12782	5.9
155.03392	4.4
155.07027	5.8
155.10683	57.2
157.03931	4.9
157.05101	12.2
158.03519	6.8
162.83830	8.3
164.83531	12.1
172.05046	20.7
173.04597	11.1
185.33621	4.2
199.06096	51.0
199.09676	20.2
199.13321	100.0
199.16965	14.4
199.80379	7.8
200.07036	14.4
200.09789	4.4
200.13663	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	195.1383
Annotation	Crocusatin G
Peak:m/z	Relative Intensity
59.01247	1.8
61.98704	5.4
62.04245	0.6
68.99732	0.5
69.03311	0.5
70.73002	1.1
71.01266	1.0
81.03323	0.6
93.03349	0.8
94.68839	0.5
95.01241	0.6
96.95885	0.7
101.02340	0.8
103.91908	1.4
107.04932	0.6
108.02016	0.6
109.02854	1.1
109.06468	4.1
111.08028	2.9
121.02840	1.7
122.03627	0.8
123.04426	2.4
124.01553	1.0
125.02355	1.6
125.09579	0.6
135.04480	0.6
135.63261	0.5
136.05191	2.1
137.02299	1.1
139.03922	0.5
139.07552	0.8
150.03159	2.7
151.00304	0.8
151.03902	1.2
151.07544	1.7
151.11159	1.2
152.91711	1.2
160.84117	12.8
165.01836	2.2
165.05481	2.0
167.03508	0.7
167.07034	0.6
167.14360	5.9
168.14665	1.0
177.05507	0.6
177.09120	0.5
179.10732	5.5
180.04208	5.1
180.11179	0.6
194.99319	0.5
195.02901	2.1
195.06573	5.4
195.13837	100.0
195.81047	4.3
196.06102	1.3
196.14191	11.1
196.15962	0.7
204.88237	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.1176
Annotation	(-)-Hydroxydihydrobovolide
Peak:m/z	Relative Intensity
59.01241	1.2
61.98698	2.7
69.03332	1.6
71.04852	1.7
71.52972	0.8
83.04894	0.8
95.01266	1.7
95.04913	0.9
97.06470	15.4
99.08042	4.4
108.04385	0.9
109.02830	0.9
109.06470	1.0
111.04400	1.0
111.85163	0.8
111.91671	0.7
116.92741	2.9
121.02872	1.0
122.03616	2.1
123.00793	6.8
123.04341	1.0
125.02313	1.7
125.09573	0.9
126.90446	1.6
136.38335	0.8
137.09612	0.9
138.03050	1.3
151.11264	0.9
153.12753	100.0
154.13089	8.4
160.84096	4.3
162.83841	11.5
166.99773	3.4
175.31825	1.0
179.10709	19.4
180.11075	2.3
182.02135	7.2
197.04556	3.8
197.08025	1.7
197.11765	9.2
197.15370	3.6
197.80756	6.4
197.90073	1.3
198.12190	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.019
Annotation	Unknow
Peak:m/z	Relative Intensity
52.54017	0.2
57.03325	8.3
57.13544	0.2
57.97925	0.2
58.03648	0.4
59.01238	1.1
64.66228	0.2
67.01756	3.5
67.13008	0.2
69.82754	1.1
69.83118	0.3
69.97652	0.3
73.02809	0.4
73.27168	0.2
73.95435	0.2
83.01245	0.3
85.02822	35.7
85.91119	0.2
86.03165	1.0
87.00749	58.8
88.01085	2.0
101.02341	0.6
103.03884	0.5
111.00762	100.0
112.01098	4.5
117.01805	0.3
129.01849	3.7
129.96587	0.3
132.15791	0.2
147.02872	0.5
154.99760	0.9
162.92377	0.2
173.00821	0.8
191.01895	3.7
191.05504	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.019
Annotation	Unknow
Peak:m/z	Relative Intensity
53.30754	0.5
56.56990	0.5
57.03325	10.5
59.01243	1.6
59.55788	0.5
63.85468	0.5
67.01755	4.3
71.18867	0.9
79.71677	0.5
85.02824	36.8
86.03163	1.3
87.00751	60.0
88.01093	2.0
96.74014	0.5
98.26120	0.5
101.02323	0.7
103.03889	0.6
111.00764	100.0
112.01102	3.4
123.62372	0.6
129.01851	4.1
130.99771	0.6
154.99829	0.6
173.00832	0.9
191.01888	5.3
191.05562	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	191.019
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03322	8.9
59.01247	1.0
67.01759	2.9
71.00251	0.4
71.00616	0.7
73.02810	0.5
85.02822	42.0
86.03162	1.1
87.00751	62.6
88.01099	1.6
99.00797	0.5
103.03912	0.6
111.00762	100.0
112.01106	4.8
129.01854	3.5
154.99719	0.7
159.83868	0.3
173.00932	0.6
191.01888	1.6
191.03618	0.3
191.05458	2.0
203.14661	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.0191
Annotation	Unknow
Peak:m/z	Relative Intensity
53.56415	1.1
57.03314	9.2
59.01241	2.9
67.01751	4.4
71.01250	1.6
71.51266	1.8
85.02819	41.9
86.03127	1.3
87.00750	58.1
88.01084	1.3
93.03340	3.4
109.81651	1.3
111.00763	100.0
112.01102	4.6
118.80373	1.1
127.03959	1.5
128.50397	1.1
129.01822	5.9
130.99750	1.2
146.91302	1.2
148.01535	1.6
176.01125	5.8
191.01961	9.5
191.03566	3.2
191.05519	45.5
191.10779	1.4
192.05760	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.0343
Annotation	Unknow
Peak:m/z	Relative Intensity
52.26007	0.4
55.01764	0.5
57.03326	5.4
59.01252	5.6
61.98714	0.9
63.24920	0.4
65.01302	0.9
65.99696	1.1
67.01757	2.9
68.99689	0.4
69.03349	0.8
71.01260	3.8
71.32866	0.5
72.99186	0.6
73.02832	2.5
81.03307	0.7
81.04465	0.6
81.89955	0.4
83.02383	0.7
83.04896	1.5
84.02029	0.4
85.02824	45.1
86.03159	1.3
87.00753	33.9
88.01099	0.9
91.01766	0.4
93.03331	8.8
95.01260	0.5
97.02854	0.5
99.00748	0.8
99.04395	0.6
101.02328	1.7
103.03892	0.4
104.02584	2.4
104.03149	0.4
105.04479	0.6
106.04015	0.9
108.02031	0.5
108.05524	0.4
109.02846	2.0
111.00767	54.2
111.04411	2.5
112.01131	2.0
113.02321	0.5
118.99197	1.0
119.01338	0.6
119.04906	2.7
120.04398	0.5
121.02847	41.7
122.03123	2.5
127.03909	4.8
129.01852	2.9
131.03404	0.8
132.02003	0.5
132.05539	0.5
135.00752	0.4
135.04416	1.1
136.04987	0.5
147.00792	0.7
147.04414	5.7
147.08084	0.7
148.01563	2.0
148.03883	0.6
148.05063	1.3
149.02357	0.7
149.03484	0.5
149.04593	1.0
149.05894	0.5
149.08279	0.5
150.06578	0.4
155.03381	0.5
163.00325	0.7
163.03914	1.6
164.04497	1.2
171.02882	1.4
173.00807	1.2
173.04495	2.4
176.01089	12.8
177.01688	2.1
191.01878	5.0
191.03508	9.2
191.05534	100.0
191.06961	3.8
191.10660	1.5
192.03992	1.1
192.05804	5.7
192.07431	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	187.0969
Annotation	Nonanedioic acid
Peak:m/z	Relative Intensity
57.03319	4.0
59.01255	0.5
61.98703	0.4
65.01313	1.5
65.99725	0.7
69.03325	0.7
69.37003	0.2
69.52086	0.2
69.56212	0.2
70.07853	0.8
71.01279	0.2
71.04882	0.5
76.46271	0.2
79.24779	0.2
80.02522	0.2
83.04902	0.7
85.02831	0.3
90.00833	0.2
91.02915	0.7
92.02422	0.3
95.04901	1.0
97.06464	12.4
98.06799	0.6
98.20102	0.5
104.16481	0.2
106.04025	0.4
109.02819	0.3
111.39979	0.2
116.02428	0.3
118.04005	0.7
119.02414	0.5
120.05615	0.3
122.03492	0.3
123.08047	6.6
124.08372	0.5
125.09608	100.0
126.09943	7.9
130.03996	0.6
131.01088	0.2
132.05605	0.6
133.03947	1.8
134.03496	0.5
136.96658	0.2
141.86707	0.5
142.03996	0.4
143.07033	0.3
143.10718	2.0
144.04382	0.6
144.05499	0.3
145.05057	0.9
146.03494	0.6
146.05673	0.2
157.05090	0.3
159.87781	0.3
160.05061	2.8
160.06247	0.3
161.04610	0.7
168.88802	0.2
169.08624	2.4
187.06223	2.9
187.09674	39.7
188.05811	0.3
188.08200	0.4
188.10002	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	189.0763
Annotation	2-hydroxyoctanedioic Acid
Peak:m/z	Relative Intensity
59.01248	3.8
61.16254	1.7
70.55138	4.4
71.01249	2.0
72.99182	2.6
73.02827	2.4
95.04943	2.3
97.06484	16.0
99.08035	7.6
106.03997	2.5
109.06473	5.0
117.03339	3.0
119.02402	2.0
119.04887	1.6
120.04440	4.8
125.06004	10.2
127.07559	44.9
128.07886	2.4
133.02882	3.1
143.07057	57.7
144.07390	6.0
145.02859	3.7
145.08609	2.8
148.05089	3.1
161.02335	11.3
171.06636	3.0
189.01889	17.1
189.05637	6.2
189.07623	100.0
190.07912	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	183.1019
Annotation	10-Oxo-8E-decenoic acid
Peak:m/z	Relative Intensity
51.48682	0.8
51.87483	0.8
57.03314	2.2
59.01249	6.0
61.98701	1.4
65.01313	5.3
67.01758	1.6
69.03327	5.7
71.01245	3.3
71.20568	1.4
74.59940	0.9
74.61317	0.8
79.81681	0.8
81.03313	1.5
83.04882	4.0
85.02861	1.2
89.01316	2.5
90.00867	1.1
93.03310	1.3
94.02834	0.9
95.01288	0.9
95.04904	1.5
97.02858	2.0
98.02366	2.1
99.00746	1.0
108.85937	0.8
109.02793	1.2
109.06467	3.0
111.00739	2.2
111.04382	4.0
111.08022	1.7
112.03920	3.5
115.02885	2.1
116.02436	2.1
118.03941	1.4
121.06502	4.4
122.02402	1.1
122.06103	1.1
123.00696	1.4
123.04376	2.6
124.01543	1.9
124.03951	2.8
124.42379	0.8
125.02312	0.8
127.07556	1.6
129.04485	2.1
130.03998	2.9
131.03537	1.0
136.98648	0.9
137.09630	1.6
137.99348	0.9
139.00264	1.5
139.07591	4.9
139.10130	1.3
139.11182	18.1
140.07054	1.6
140.11522	1.6
141.01814	1.2
142.03976	3.2
143.03497	0.9
143.04773	2.8
144.04269	2.0
152.98178	1.8
155.03526	1.7
155.10690	22.6
156.01979	1.1
156.05569	11.3
156.10976	2.2
157.05069	13.0
165.05542	1.2
165.09117	3.2
168.00555	5.1
169.03780	1.1
175.03758	1.5
183.00287	1.3
183.03035	5.1
183.06676	15.1
183.10187	100.0
184.06149	6.0
184.10573	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	171.1018
Annotation	(-)-Blastmycinolactol
Peak:m/z	Relative Intensity
63.57716	0.4
71.02220	0.6
71.02522	0.4
76.31459	0.4
97.06469	0.5
98.19852	0.5
99.08025	1.0
99.92474	0.8
109.02850	0.9
109.06464	0.5
119.84892	0.4
125.09621	4.1
127.03918	0.7
127.07573	1.1
127.11188	5.5
148.17239	0.5
153.09099	1.6
171.01907	1.8
171.10176	100.0
171.13794	12.1
172.10533	7.7
172.14153	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	172.0244
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01749	3.2
56.98780	0.9
57.03320	4.6
58.00460	1.6
59.01236	2.7
60.99160	1.4
65.03840	1.5
66.03358	43.1
67.01759	14.0
67.03699	1.3
68.01299	1.7
68.99684	1.3
69.03326	3.3
70.93391	1.0
71.01254	11.3
72.99181	34.6
73.02818	24.9
81.03334	3.0
82.02863	10.4
83.01243	4.8
83.04891	9.4
85.02821	20.7
85.03287	1.5
87.00749	55.7
88.01108	1.7
93.03333	90.1
96.95901	1.0
98.02367	1.0
99.00754	10.4
99.04378	7.7
101.02328	2.6
109.02818	1.5
110.02364	93.9
111.00763	100.0
111.02718	5.0
111.04396	18.0
111.08049	3.4
112.00285	17.7
115.00275	2.4
117.00336	3.0
124.98722	1.1
127.00257	2.9
128.03384	2.0
129.01816	6.4
137.02350	10.3
139.29921	0.9
142.99715	1.4
143.03380	1.8
154.01390	2.0
154.99779	6.8
155.03412	2.9
172.00076	1.2
172.02417	28.4
172.99493	1.5
173.00819	5.9
173.02716	1.9
173.04440	9.1
173.05824	1.3
173.08041	1.1
179.12456	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	173.0084
Annotation	cis-Aconitate
Peak:m/z	Relative Intensity
53.51863	0.3
55.01766	1.8
55.01971	0.3
57.03330	5.4
58.00454	0.9
59.01252	2.8
60.99171	1.6
64.57211	0.3
65.03831	0.9
67.01763	15.7
67.22397	0.3
68.02094	0.8
68.99677	0.9
69.03323	3.1
71.01257	21.3
71.04877	0.8
71.29494	0.5
72.01596	0.6
72.99185	5.5
73.02821	17.8
74.03136	0.6
78.64900	0.3
81.03330	3.2
83.01261	3.9
83.04901	8.2
85.02827	20.2
85.06461	1.2
85.21905	0.3
86.03144	0.8
87.00752	2.5
93.03338	70.4
94.03675	4.0
96.99194	0.7
98.20471	0.3
98.76360	0.4
99.00758	12.3
99.04396	5.3
99.06997	0.3
100.01094	0.6
101.02335	2.3
109.02836	1.1
111.00770	100.0
111.04404	15.1
111.08038	3.1
112.01099	4.6
112.04757	1.1
112.98700	2.2
113.02302	0.5
115.00260	1.8
117.00362	0.3
124.98699	3.8
127.00230	0.4
129.01831	4.8
129.05434	0.9
129.09149	0.4
137.02350	7.8
138.02658	0.6
142.99768	7.8
143.03407	1.6
144.00006	0.4
154.99783	6.0
155.03386	3.3
156.00180	0.4
173.00854	4.1
173.02278	0.7
173.04486	8.5
173.05981	0.5
173.08134	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.0343
Annotation	Aspirin
Peak:m/z	Relative Intensity
55.01752	0.7
57.03320	0.8
58.00459	0.3
59.01252	8.5
59.85487	0.2
64.07208	0.2
64.18745	0.2
67.01775	0.3
68.99694	0.6
69.03324	1.8
70.75483	0.2
70.97896	0.4
71.01257	10.9
72.99180	0.6
73.02816	3.2
75.00758	0.5
75.38498	0.2
79.01748	0.4
81.03345	0.6
83.01260	1.8
85.02824	7.1
87.00753	31.5
88.01099	0.8
89.02308	3.3
89.03823	0.2
91.01773	0.3
91.05428	0.4
93.03381	0.4
94.02866	0.3
95.01284	1.4
95.04903	0.3
97.02835	2.4
98.03156	0.3
99.00756	8.9
101.02325	3.6
106.04116	0.4
107.01277	0.3
107.04916	2.4
108.02025	0.3
109.02831	0.9
109.03976	0.4
111.00758	0.5
113.02344	1.7
117.01829	5.3
117.03352	0.7
118.02100	0.2
121.02872	0.6
123.00752	0.4
123.04407	0.5
125.02345	4.5
129.01840	0.8
133.02893	0.4
134.03645	6.4
135.04417	100.0
136.04749	7.1
137.02353	0.7
141.01834	2.6
150.03101	0.2
151.03925	0.5
151.07524	0.4
159.02911	1.1
161.04471	14.5
162.04822	0.8
164.01086	1.0
164.04720	0.6
166.45264	0.2
177.03992	0.6
179.03441	17.7
179.05551	13.4
179.06960	1.0
180.03799	1.5
180.05962	0.7
196.58305	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	183.1021
Annotation	Unknow
Peak:m/z	Relative Intensity
56.14396	7.1
57.03321	14.7
58.02851	8.5
58.97673	7.6
59.01251	34.9
63.80592	7.7
65.01323	29.7
69.03331	11.1
71.01272	14.8
71.24511	16.1
72.99230	9.3
75.50246	8.6
75.87158	8.4
81.03353	9.6
83.04891	23.4
85.02854	13.6
89.01323	16.1
90.00906	20.3
91.02895	14.2
94.02868	12.6
95.01272	10.5
97.02841	23.9
98.02378	19.0
99.00685	8.6
111.00773	17.2
111.04466	12.9
112.03962	17.1
115.02868	15.0
116.02406	12.2
121.06494	30.2
123.04397	11.5
124.01564	18.9
124.03937	17.4
124.98669	18.4
130.04001	19.4
137.32599	9.1
139.07556	19.7
139.11168	17.8
140.07095	15.4
142.04018	23.6
143.04752	21.3
144.04312	20.2
152.98239	25.0
155.03508	18.9
156.04352	13.5
156.05597	64.9
157.03975	15.0
157.05101	100.0
164.98216	17.6
168.00594	45.1
183.02986	33.6
183.06659	95.4
183.10185	81.1
183.13818	18.2
184.06131	47.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	169.0136
Annotation	Gallate
Peak:m/z	Relative Intensity
51.99683	0.3
57.03316	0.5
59.01255	0.8
63.48811	0.3
64.01787	0.3
65.00201	61.4
65.01319	1.2
65.99724	0.6
66.00529	2.3
66.03377	1.5
67.47569	0.3
68.99684	0.5
69.03344	0.7
71.01270	0.5
71.04897	0.4
71.12495	0.4
81.03351	0.7
81.04454	0.6
83.01260	1.1
83.02393	0.4
83.04900	0.4
85.02824	0.4
85.03964	0.5
86.02341	0.3
89.01332	0.4
90.00871	0.4
91.02902	0.3
94.77370	0.3
95.01290	0.3
95.04910	0.4
96.11448	0.3
97.02838	100.0
97.06459	0.7
98.02374	0.6
98.03163	5.2
98.06014	0.6
98.20142	0.4
99.00782	0.5
100.03986	0.3
107.04928	0.7
109.02821	0.4
110.02363	2.3
111.00749	0.4
111.02748	0.3
113.03535	0.3
115.02905	1.1
116.02453	0.7
123.00774	0.3
123.04462	0.5
123.05463	0.3
125.02356	6.2
125.05959	1.3
125.09595	0.8
125.99501	0.5
127.03962	0.5
127.05028	0.6
129.03232	0.7
130.02760	0.4
136.98717	6.4
137.99019	0.6
140.03398	0.5
141.01898	0.4
142.04028	3.0
143.02481	0.6
143.03551	1.5
151.00270	1.8
151.03893	0.7
153.99017	0.7
154.02756	0.4
168.03052	0.6
169.01357	37.8
169.05063	3.3
169.06238	0.4
169.08548	0.6
169.12262	0.3
170.01704	2.4
170.04549	1.0
182.21312	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	169.0135
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49733	0.3
57.03313	0.3
58.02857	0.3
59.01242	0.3
65.00196	60.2
66.00533	1.8
66.03352	1.2
69.03337	0.6
71.01263	0.5
71.12441	0.4
81.03321	0.4
81.04476	0.3
82.23176	0.3
83.02382	0.4
84.04427	0.3
85.02837	0.3
85.03942	0.4
89.01321	0.4
95.02442	0.3
95.04904	0.4
97.02830	100.0
98.02396	0.6
98.03159	4.2
98.05981	0.4
99.00746	0.6
100.03908	0.3
107.04914	0.4
110.02374	1.7
111.00706	0.3
113.53768	0.3
115.02904	0.9
116.02425	0.7
116.03199	0.3
125.02340	4.0
125.05962	0.8
125.09614	0.4
126.02840	0.4
129.03220	0.6
136.98714	6.7
137.99040	0.3
141.01909	0.6
142.04013	2.6
143.03514	1.3
151.00204	0.6
151.03833	0.3
153.29196	0.3
153.98949	0.7
154.02699	0.3
161.89146	0.3
169.01343	38.1
169.05011	2.6
170.01642	2.8
170.03000	0.3
170.04558	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	169.0862
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01759	9.3
57.03321	3.6
58.02861	2.7
59.01242	4.2
61.98706	4.3
64.01811	1.7
65.00191	4.2
65.01318	3.6
66.03365	4.0
67.01752	1.7
68.99695	3.8
69.03325	14.8
70.02869	2.2
71.01283	2.3
71.04895	39.2
71.52622	1.4
72.05213	1.7
80.02520	2.1
81.03321	6.3
83.01269	3.0
83.04899	11.6
84.04403	2.4
85.02828	4.9
87.00758	2.7
87.98515	1.4
89.01357	1.9
95.01245	2.1
95.04889	4.6
96.99203	1.8
97.02843	13.2
97.06488	6.3
98.02318	2.6
99.00803	1.4
99.01930	1.5
99.04388	1.9
107.04909	8.0
109.02827	3.0
109.57295	1.4
110.02355	9.7
111.04395	1.7
115.02886	5.0
116.02423	2.6
122.89326	14.4
123.04439	1.7
123.08062	9.8
125.02338	92.8
125.05999	8.2
125.09615	100.0
126.02692	4.3
126.09962	8.1
126.90238	1.9
127.03963	1.8
127.05010	2.0
128.07079	1.8
129.03224	2.7
134.86388	2.2
139.00258	2.4
139.03937	2.7
141.01897	4.2
141.05492	1.6
142.04002	14.2
143.02477	2.2
143.03522	5.3
151.00285	3.2
151.03882	4.2
153.98961	4.4
154.02737	1.8
169.01337	30.6
169.03818	2.5
169.05032	20.3
169.06262	1.9
169.08635	14.2
169.12285	3.2
170.04543	5.5
170.07108	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	165.0549
Annotation	Unknow
Peak:m/z	Relative Intensity
54.48338	0.8
56.24819	0.8
58.02856	1.8
59.01237	2.8
61.95147	0.8
65.00189	1.7
65.01317	4.8
65.99728	3.6
66.00834	1.2
67.01757	1.6
67.02878	3.2
68.01273	1.7
68.02407	0.9
71.01244	2.3
72.99181	34.0
73.02852	0.9
75.00738	2.3
77.03841	2.0
79.02911	1.3
79.73986	0.8
81.03320	1.7
81.04475	1.6
82.02863	2.1
82.03969	5.9
83.02385	1.6
85.02826	1.3
85.03979	0.9
87.00723	1.3
91.01756	2.3
92.02449	1.3
92.99702	2.5
93.03336	7.9
94.02863	1.8
95.01258	3.1
95.02387	4.4
96.00797	1.9
97.03943	5.0
98.19781	2.7
101.02309	1.5
101.03853	2.6
106.03997	1.4
107.01299	0.9
107.02390	1.5
108.02071	2.1
108.04448	1.5
109.02850	7.0
109.03963	3.4
111.05520	0.9
119.04060	1.8
119.04918	39.9
120.05263	2.8
121.02845	45.9
121.03824	1.5
121.06466	2.6
122.02349	1.2
122.03526	6.0
122.05982	2.2
123.00764	3.5
123.01849	2.0
123.04403	7.9
123.05485	1.8
124.04076	1.3
124.05053	7.1
125.03458	1.9
135.04413	2.3
135.08083	1.2
136.05122	2.1
137.02339	12.5
137.03326	1.6
137.05963	3.6
138.01859	1.6
138.02992	3.3
138.05482	1.3
138.06624	1.5
139.01414	1.2
139.05045	2.5
147.04420	100.0
148.04778	7.5
149.00821	1.7
150.03123	16.3
151.00247	5.2
164.89575	1.2
165.01842	15.3
165.04102	2.8
165.05478	42.6
165.09059	5.2
166.02451	3.2
166.04945	3.0
166.06172	5.6
175.83542	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.107
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01764	1.1
57.03334	0.9
58.02832	1.5
59.01242	1.5
59.98402	1.7
61.98707	2.3
65.00189	1.3
65.99714	1.0
66.03368	1.2
67.01755	1.6
67.15038	0.9
68.99705	1.1
69.03348	1.2
70.02890	4.0
80.02560	2.7
81.03330	3.8
82.02869	2.1
82.03989	1.7
83.01257	1.7
83.02401	1.9
83.04893	1.9
85.02876	0.9
85.03922	1.5
91.01792	4.8
93.03349	3.5
95.01283	8.0
95.04893	4.4
96.04393	0.9
97.02830	4.9
97.03944	1.2
99.04411	3.4
108.02060	49.1
108.04401	1.1
109.02290	1.7
109.02888	2.6
111.00778	3.9
111.04419	3.1
121.02843	2.8
122.03635	1.3
123.00816	7.2
123.01658	1.4
123.04420	41.1
123.08022	4.9
124.01579	6.5
124.04853	3.5
125.02339	6.9
125.03328	1.8
132.86662	1.2
137.02341	3.3
138.03107	1.9
139.00275	1.9
139.03917	11.4
140.02409	1.1
144.88704	0.8
149.02473	1.3
149.05981	1.2
151.00301	1.9
152.01068	100.0
153.01485	7.7
167.03430	59.2
167.07120	7.8
167.10696	22.0
168.03925	6.1
168.06572	1.6
168.11156	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	168.1385
Annotation	Unknow
Peak:m/z	Relative Intensity
51.83253	0.8
53.36952	0.9
58.02849	100.0
59.03186	2.0
61.98706	1.6
68.99698	1.3
69.03334	2.3
71.32536	1.3
81.76010	0.9
97.02837	2.8
107.04945	1.7
109.02331	0.8
122.89294	1.3
125.02338	20.0
125.03242	1.4
125.06013	1.6
125.09628	2.4
139.03749	0.9
142.49399	0.9
153.01369	1.8
162.54378	0.9
163.64230	0.8
168.13817	7.5
169.01321	6.9
169.05005	2.6
169.08566	0.9
169.12263	1.3
169.84232	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	168.9986
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	3.8
61.40218	0.2
70.38676	0.5
70.39011	0.5
71.01260	1.8
73.01321	0.4
73.98479	0.4
74.99257	1.8
84.10732	0.2
87.00751	0.7
97.02859	0.4
97.06505	0.3
98.34364	0.3
102.58883	0.2
117.00340	1.0
118.49432	0.3
125.00846	12.4
125.02265	0.6
125.06042	0.3
125.09569	0.3
126.00973	1.5
126.98771	100.0
127.98871	11.5
140.98207	0.4
141.97491	11.1
142.97571	1.3
148.24797	0.2
150.96954	0.7
168.99846	29.0
169.08640	0.2
169.12271	0.3
170.00003	4.5
173.30652	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.0393
Annotation	Unknow
Peak:m/z	Relative Intensity
51.42532	0.3
59.01233	0.8
65.01316	1.6
65.99726	0.6
68.01278	0.4
69.17793	1.1
69.18209	2.6
81.04439	0.5
82.03972	2.4
83.02377	0.8
85.02827	0.7
91.01765	1.0
93.03329	1.8
94.02885	0.6
101.02333	0.5
105.51471	0.4
106.03995	0.7
117.10088	0.4
119.04918	100.0
120.04424	0.9
120.05237	6.5
121.02928	0.7
121.03989	1.4
121.05100	4.8
122.03548	0.9
135.00787	0.6
135.04410	0.8
136.05049	1.7
137.03467	0.8
159.33028	0.4
162.89229	0.5
163.00301	2.1
163.03918	8.7
163.06134	1.4
163.07359	0.6
164.04532	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.0392
Annotation	4-Coumaric acid
Peak:m/z	Relative Intensity
53.34706	0.2
59.01246	0.3
60.57762	0.2
65.01300	0.6
66.00826	0.3
67.70867	0.2
71.40814	0.4
81.04465	0.4
82.03986	1.1
84.84601	0.3
85.02823	0.3
91.01755	0.6
93.03344	1.7
106.03992	0.4
107.02385	0.4
107.04936	0.3
117.03336	0.4
119.04912	100.0
120.04400	0.3
120.05240	6.5
121.03983	0.7
121.05090	2.0
122.03426	0.4
136.05063	1.0
137.03433	0.6
146.03484	0.3
147.12904	0.2
162.89319	0.3
163.00293	1.0
163.03914	7.3
163.06134	0.8
164.04401	1.1
166.82854	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.1277
Annotation	Unknow
Peak:m/z	Relative Intensity
54.42100	0.3
55.01767	0.5
58.11302	0.5
61.98692	0.9
65.03848	0.7
66.03362	1.1
67.01774	0.6
68.99695	0.5
69.03328	1.6
70.86760	0.7
71.04881	0.6
71.48965	0.3
81.03341	3.5
82.02868	1.2
83.01274	1.2
83.04942	0.4
91.01757	0.9
92.78035	0.4
95.01263	0.6
97.02867	1.0
97.06468	6.3
99.08035	2.1
107.01286	0.5
107.04871	0.5
108.02073	7.8
109.02846	100.0
109.06506	1.9
109.99996	4.7
110.03174	5.8
111.00793	0.4
111.04425	0.6
111.05481	0.5
120.26400	0.4
123.00793	1.1
123.04459	3.6
124.01562	0.7
124.03951	1.0
125.02344	2.1
125.05924	0.4
128.88431	0.4
135.04430	0.7
136.03874	0.4
137.09656	0.6
137.99512	3.9
138.03104	0.6
151.00252	0.8
151.11237	0.7
153.01851	23.6
153.05450	3.1
153.12769	18.4
153.86766	7.0
154.02229	1.2
154.05014	0.9
154.13113	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	147.029
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03323	21.7
59.01249	10.6
69.31735	0.9
71.01247	3.3
71.29047	1.3
72.99187	2.1
83.01283	0.9
85.02822	67.0
86.03156	2.8
87.00748	100.0
88.01098	3.2
101.02335	2.0
103.03899	8.7
128.91115	0.9
129.01834	12.0
147.01773	1.4
147.02905	20.8
147.04146	1.7
148.03204	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.0443
Annotation	Unknow
Peak:m/z	Relative Intensity
52.53619	3.2
54.40164	3.6
57.03310	8.6
59.01250	17.2
61.98695	4.2
64.01804	7.9
65.01315	55.0
65.99730	20.2
67.02882	10.1
68.01279	5.0
71.01263	21.5
71.53304	4.4
72.99154	4.8
75.00740	16.4
75.02255	5.6
79.02876	13.1
81.04449	6.2
82.26925	3.8
85.02828	13.6
87.00748	16.6
90.00854	9.0
91.02892	12.0
91.26184	3.7
92.02378	4.1
93.00846	4.4
93.04437	3.8
94.02854	6.3
99.00741	5.2
101.03857	5.5
104.02416	5.6
105.04475	25.5
106.02855	4.4
106.03993	39.4
107.02386	4.3
117.01981	6.4
118.03999	11.4
119.02435	6.6
119.04887	25.1
120.00805	3.4
120.01944	23.7
120.04350	6.1
120.05562	15.3
121.03967	16.3
146.03564	4.5
147.01872	13.7
147.02997	26.2
147.04401	59.1
147.05510	5.4
147.06624	11.4
148.01459	5.7
148.03894	9.8
148.05058	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	152.9945
Annotation	Unknow
Peak:m/z	Relative Intensity
58.98846	0.3
60.37123	0.3
65.00201	0.6
65.03837	0.5
66.03352	0.5
67.01768	0.4
68.99670	0.4
69.03313	0.9
69.59158	1.7
71.01265	0.4
72.94932	0.2
78.95777	34.5
81.03333	3.0
81.65219	0.3
82.02858	0.8
83.01263	0.9
85.02808	0.4
91.01778	0.9
93.03353	0.3
95.01262	1.0
95.04890	0.3
96.96840	3.4
97.02824	0.7
97.93048	0.5
107.01286	0.4
108.02057	8.7
109.02839	100.0
109.06492	0.7
109.99987	2.4
110.03174	5.5
110.03937	0.3
111.04410	0.5
123.00770	0.8
123.04416	3.4
124.01591	0.5
124.03957	0.9
125.02325	2.0
125.05956	0.3
135.04454	0.4
136.03912	0.4
137.99484	2.0
138.03149	0.7
150.97951	1.2
151.00296	0.8
152.99498	22.5
153.01834	21.0
153.05437	2.5
153.86778	6.3
153.99869	0.5
154.01086	0.3
154.02347	1.3
154.05002	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0492
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00225	4.0
51.52579	0.5
53.71072	0.5
59.01244	2.5
64.01796	2.1
65.01319	10.2
65.99721	9.2
68.01279	4.6
69.44103	4.2
71.01250	1.5
73.02822	1.1
77.01317	3.1
79.02888	1.6
91.02891	5.7
91.05402	1.1
92.01296	6.1
92.02433	2.5
92.03218	0.9
93.00825	3.7
93.03331	4.9
101.92313	1.2
105.03198	0.7
117.03341	1.3
118.03993	1.5
118.92543	5.3
118.93286	0.6
119.02407	18.1
119.03462	3.8
119.04911	100.0
120.01938	9.8
120.05574	44.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	127.0755
Annotation	Unknow
Peak:m/z	Relative Intensity
50.78305	5.7
55.01766	14.4
55.35681	5.3
57.03323	12.2
58.02843	11.3
59.01240	11.2
69.03313	7.0
71.01247	42.8
71.04890	12.4
71.32755	8.0
71.33092	7.0
71.34818	5.3
72.99171	5.5
81.03342	19.9
82.02855	10.2
83.01257	28.4
83.04893	19.4
85.02829	57.8
85.03934	28.5
86.02334	7.9
99.00788	28.7
99.04397	9.7
109.02825	10.9
109.06556	6.1
126.90314	11.3
127.00262	83.2
127.02945	11.2
127.03912	62.2
127.04851	10.1
127.07522	27.3
128.03426	100.0
128.07100	10.9
141.97542	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	129.0184
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01762	15.7
57.03327	32.3
58.02837	3.6
59.01251	6.0
63.45831	2.5
64.24035	2.3
65.01317	7.0
67.01765	39.9
68.99689	21.5
71.01253	51.8
72.99194	11.4
73.02801	9.1
78.05524	2.4
83.01250	7.6
83.04898	6.1
83.23290	2.6
85.02823	100.0
86.03167	5.7
86.05980	3.3
87.00761	8.6
88.03910	8.5
89.01311	3.6
96.99187	5.3
99.00782	8.3
101.02322	17.1
103.02888	5.3
111.00742	6.9
111.04374	3.9
114.50690	2.6
129.01825	43.4
129.05463	9.9
130.02156	2.2
130.04021	50.8
130.08649	19.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	130.0864
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14590	1.5
55.01754	2.8
57.03319	18.3
59.01245	5.0
65.01316	2.6
69.03327	3.6
71.01256	13.6
71.15226	1.7
72.99168	3.7
73.02820	16.7
73.43903	1.3
75.00739	3.3
83.01266	1.6
85.02824	89.3
85.06493	3.5
87.04400	17.0
88.03918	3.7
89.01361	1.7
101.02309	2.2
113.02323	4.6
130.03998	10.5
130.08632	100.0
131.03429	32.3
131.08978	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	133.0133
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01233	2.1
64.16108	1.5
70.03378	1.5
70.53946	1.4
70.93670	2.6
70.96290	1.4
71.01260	75.4
72.01600	3.0
72.99182	18.2
73.36733	1.5
89.02329	8.9
115.00266	100.0
116.00587	6.0
124.13213	1.4
133.01324	20.3
134.01692	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	133.0132
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03321	8.5
59.01251	2.5
59.81858	0.8
64.01801	1.4
65.01319	12.9
65.99722	3.8
69.03320	1.9
69.72444	1.7
69.72853	3.5
71.01253	97.1
72.01598	3.6
72.99182	25.9
75.00759	1.3
76.45836	0.7
79.02884	1.0
85.02829	2.0
87.00757	3.4
87.04389	16.8
89.02324	11.3
90.00848	1.4
91.02892	4.0
92.01330	1.0
92.02422	2.5
98.20451	1.4
105.03331	0.9
106.00364	1.2
106.02808	1.1
106.03997	7.7
107.02386	6.1
107.03511	1.0
109.94482	0.8
115.00256	100.0
115.92007	0.9
116.00610	4.3
133.01335	19.5
133.02882	2.1
133.03952	3.8
133.04994	12.2
134.02509	1.2
134.03508	19.0
134.04605	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	133.0133
Annotation	Unknow
Peak:m/z	Relative Intensity
64.85048	5.9
70.53743	6.6
70.54093	21.0
71.01254	85.0
72.99178	19.6
76.52807	6.1
78.89513	6.7
89.02322	10.9
105.63184	6.4
110.71525	6.3
112.72055	5.8
115.00256	100.0
116.00584	9.0
128.07722	6.5
133.01300	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	137.0963
Annotation	Unknow
Peak:m/z	Relative Intensity
53.48847	1.1
57.03333	1.3
65.01310	1.7
65.03839	2.4
65.99722	2.2
66.00858	2.2
66.03349	2.0
67.02882	3.0
68.01272	3.4
78.78167	1.0
81.03321	5.5
82.02836	1.1
83.01271	1.2
93.03338	100.0
94.02872	1.6
94.03651	5.8
95.02395	1.9
95.08537	3.6
108.02074	6.7
109.02861	6.0
109.03939	1.6
110.02335	1.5
111.01877	2.1
119.02522	1.3
120.01900	1.2
121.06487	61.3
122.06828	6.1
123.03214	1.2
136.00389	1.2
136.01585	2.5
137.02359	36.9
137.03423	3.7
137.05992	1.7
137.09624	59.3
138.01862	7.8
138.02794	2.5
138.09944	4.3
141.51074	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	145.0861
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00227	3.1
57.03309	1.6
58.02845	0.9
64.00513	1.0
64.01791	4.4
65.01318	8.9
65.02133	1.0
65.99709	5.0
66.00828	1.1
71.01263	1.7
72.45357	0.8
72.99163	0.8
74.50094	0.8
76.01801	1.0
77.01323	6.7
81.03315	2.4
81.04457	3.2
83.01232	0.9
83.04882	4.1
89.01303	1.3
90.00841	2.0
91.02882	4.1
92.02435	1.0
97.06467	2.0
99.00768	1.0
99.04392	2.1
99.08034	100.0
100.08369	6.8
101.05971	3.4
103.01662	2.7
103.02902	1.1
105.03234	2.1
105.04469	2.0
106.01591	1.4
116.02467	2.2
117.01953	1.5
117.04419	1.2
118.02946	6.2
118.03994	21.7
119.02413	12.3
119.03342	1.6
119.03494	1.4
122.12899	0.9
127.07545	1.7
130.02728	2.2
131.01199	0.9
139.89189	0.9
143.06978	1.1
144.01965	2.1
145.01453	2.3
145.02684	2.6
145.03935	3.2
145.05061	16.0
145.08606	32.0
146.02374	12.6
146.03503	10.2
146.04507	1.5
146.07124	3.0
146.08945	2.4
150.30005	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	101.0233
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01760	33.7
57.03329	35.0
57.99217	2.8
58.00460	11.1
59.00947	4.9
59.01252	84.8
68.99687	4.3
71.00273	4.9
71.01257	80.6
72.01603	3.4
72.99174	9.4
73.02821	100.0
78.04327	2.7
83.01268	9.9
90.43170	2.5
99.00789	2.8
99.92455	2.9
100.94498	44.7
100.95170	2.7
100.99808	8.9
101.02325	64.2
102.02622	3.1
115.91987	7.9
118.89392	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	1029.3458
Annotation	Unknow
Peak:m/z	Relative Intensity
72.99187	0.6
73.02813	1.7
83.01267	0.5
85.02845	1.5
87.00760	0.5
89.02321	6.6
90.71530	0.2
95.01266	0.4
95.04887	0.4
99.04392	0.4
101.02326	4.3
107.00507	0.2
107.01251	0.4
113.02338	2.6
119.03389	2.1
127.81355	0.2
149.04568	0.2
151.00279	1.4
152.01083	0.2
161.82689	0.2
163.00296	0.3
163.11189	2.5
164.11728	0.2
171.04321	0.3
179.05533	0.6
181.12262	19.6
182.12631	1.0
183.04434	0.3
199.03934	0.9
207.10176	0.7
215.03477	0.5
225.11276	50.0
226.11621	2.6
227.03444	1.4
228.03848	0.2
242.02112	1.1
243.02954	8.4
243.12466	0.3
244.03568	0.5
254.02251	0.4
255.02983	5.3
256.03647	0.4
257.04559	1.6
259.06046	0.3
270.01654	1.1
271.02475	15.0
272.03125	2.0
285.04105	2.1
286.04791	0.7
287.05588	0.7
299.01974	15.0
300.02731	13.1
301.03104	0.7
313.98956	0.3
314.04324	19.5
315.05093	35.5
316.05441	2.7
357.06021	0.4
405.17645	100.0
406.17975	7.5
406.23322	0.5
440.82959	0.2
459.97894	0.2
623.16150	48.6
624.16541	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	1041.345
Annotation	Unknow
Peak:m/z	Relative Intensity
73.02821	0.2
83.01270	0.3
89.02316	0.3
101.02321	0.4
107.01270	0.5
108.02086	0.2
113.02317	0.3
125.02310	0.1
135.00781	0.2
145.02834	0.2
148.01584	0.2
151.00258	1.5
159.04431	0.1
163.00275	0.5
171.04396	0.3
178.99821	0.2
183.04428	0.4
185.02417	0.1
187.03831	0.3
199.03926	1.8
200.04518	0.2
201.01999	0.2
203.03462	0.2
204.04250	0.2
205.04941	0.2
211.03938	0.3
215.03450	0.8
216.04158	0.1
219.06667	0.2
226.02597	0.2
227.03427	2.5
228.04134	0.3
242.02202	1.2
243.02948	12.2
244.03568	1.1
254.02100	0.7
255.02954	8.2
256.03476	0.8
257.04541	1.6
259.06085	0.4
270.01639	1.4
271.02460	20.5
272.03055	2.4
285.00949	0.2
285.04028	3.2
286.04688	0.7
287.05624	0.9
299.01947	19.1
300.02710	18.2
301.03094	1.0
313.03494	0.3
314.04306	21.7
315.05069	48.0
316.05447	2.3
331.17502	0.1
357.06122	0.4
373.18747	1.0
405.17572	0.2
623.16107	100.0
624.16437	10.8
624.27032	0.3
625.16742	0.3
778.20734	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	1053.3459
Annotation	Unknow
Peak:m/z	Relative Intensity
101.02328	0.5
107.04952	0.5
107.55690	0.4
109.02849	3.7
111.00699	0.5
120.54880	0.4
121.02862	0.9
123.00784	1.8
123.04418	0.7
131.04875	0.6
135.04456	0.9
136.01582	1.3
137.02345	20.1
140.45978	0.5
149.02327	1.1
150.03076	1.8
151.00287	6.8
151.03917	3.6
151.08762	0.4
152.01003	1.4
152.04672	1.9
153.01852	0.6
158.03630	0.6
159.04375	0.6
161.02287	0.6
162.03174	0.6
163.03932	1.0
164.01044	2.0
165.01848	72.9
165.05505	2.9
166.02631	24.0
167.03439	2.3
168.04083	0.5
173.02473	0.7
175.03871	1.4
176.04738	0.7
177.01820	2.0
177.05426	0.7
178.02634	1.0
179.03433	16.7
179.06996	0.9
180.04202	40.7
181.04977	30.1
182.05318	1.0
184.03731	0.9
187.03957	1.2
189.05493	0.5
190.06198	0.8
192.04208	1.1
193.05011	2.0
194.05817	3.3
195.03018	2.2
195.06560	52.1
196.06914	1.5
202.06430	0.5
205.05017	4.7
205.08568	0.8
206.05710	0.5
207.06535	2.1
210.05278	9.1
220.07291	3.2
221.07948	0.6
225.07637	33.4
226.07951	1.7
344.08942	0.6
345.09787	0.9
356.74493	0.5
359.11395	1.8
371.11285	1.0
372.12033	1.4
385.12900	0.6
386.13657	1.3
387.10367	5.0
387.15295	2.9
402.13379	3.3
403.13785	1.6
416.14890	4.0
417.15546	36.7
418.15698	3.4
498.23596	1.4
499.23700	1.0
535.16193	0.7
550.18896	0.7
565.16888	3.0
580.19641	2.9
595.21863	44.3
596.22064	5.3
613.22919	1.9
625.22906	2.8
626.23578	0.6
643.23956	100.0
644.24280	14.4
799.28418	0.8
805.29321	4.2
806.29364	1.0
847.30219	6.3
848.30310	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1057.357
Annotation	Unknow
Peak:m/z	Relative Intensity
91.53034	0.9
93.03375	1.7
98.20342	1.4
122.03652	2.7
137.02321	3.8
149.02342	9.1
150.03149	23.3
160.01558	3.0
164.04724	2.6
165.01859	16.8
165.04138	1.5
165.05498	26.6
168.23947	1.1
168.25557	1.0
179.03442	3.9
179.07115	3.5
180.04205	8.3
187.11641	1.3
190.06337	1.3
195.06584	37.0
210.05312	1.3
222.05173	3.0
225.05632	1.1
225.07629	5.8
237.05618	1.8
238.06351	3.6
243.06664	1.5
244.07500	1.3
251.07149	1.7
253.08641	1.6
255.10219	1.8
266.05563	1.3
267.06586	2.2
268.07422	13.1
278.05817	1.4
279.06558	3.1
280.07382	5.3
281.08093	1.4
283.06836	1.7
283.09756	11.0
284.06879	3.3
293.08185	2.5
294.05511	1.7
294.08899	1.4
295.06219	2.8
296.06982	6.4
297.07666	3.6
299.09216	4.7
307.06290	1.6
308.07007	9.3
308.10242	1.7
309.07635	7.4
311.05783	1.8
311.09177	5.6
312.06476	9.4
312.09738	2.2
321.07727	2.2
322.08411	4.6
323.09268	16.4
324.06293	7.1
324.09976	8.6
325.10510	1.6
326.08072	1.6
326.11609	1.8
327.08780	26.5
327.12448	2.6
328.09366	2.6
331.17331	1.4
337.10840	1.6
338.11612	6.3
339.08780	43.3
339.12424	7.2
340.09018	4.6
341.10330	3.4
342.11090	31.4
343.11713	6.4
354.11099	18.0
355.11691	3.2
356.12958	1.3
357.13455	66.3
358.13785	4.3
369.13443	100.0
370.13797	6.3
373.12952	20.1
387.14587	3.3
421.15057	45.9
422.15265	3.1
463.63678	1.5
565.20831	6.4
613.22919	15.5
639.27765	1.3
761.28046	11.9
762.28186	1.9
809.30408	4.8
883.85132	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1085.6026
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95776	59.8
96.96835	6.6
149.36572	0.1
150.97931	2.1
152.99487	100.0
153.99838	1.0
163.61494	0.2
171.00549	3.8
193.26970	0.2
277.21640	0.9
431.22009	42.7
432.22333	2.9
543.97217	0.2
830.42780	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1135.3716
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03353	0.5
81.86246	0.3
83.01259	2.9
85.02824	4.8
87.00745	4.6
87.04386	0.5
89.02325	3.1
89.03851	1.4
93.03337	0.8
95.01263	1.0
97.02829	3.4
98.19868	0.5
99.00768	0.9
101.02326	12.0
103.03895	0.7
104.02555	0.7
108.02059	0.5
109.02861	0.4
113.02337	4.4
115.03913	1.0
117.03365	2.3
119.03388	1.0
119.04898	0.5
121.02835	0.5
123.51507	0.3
125.02348	3.1
127.03937	0.8
129.96127	0.4
131.03410	1.0
132.02071	34.9
133.02917	1.9
134.03638	37.4
135.04297	0.8
136.01581	0.5
137.02379	2.2
139.03918	1.0
143.03412	2.9
145.04962	0.8
147.04417	1.0
148.05193	0.4
149.02351	1.4
149.05995	5.2
150.03137	3.5
151.03903	1.0
151.06001	2.6
151.41760	0.3
160.01575	89.0
161.02159	4.9
161.04448	4.3
162.03004	0.4
163.03876	0.4
163.05995	0.8
165.05475	3.1
174.03159	0.5
175.03928	65.9
176.04514	3.6
177.01820	0.5
178.02661	5.6
179.03346	0.6
179.05508	0.8
180.04205	0.4
181.04999	0.3
190.02602	0.5
191.07048	2.2
193.04993	27.2
194.05380	1.3
195.06564	0.5
202.02658	0.7
205.07100	0.7
207.06660	0.5
217.05037	0.9
220.03798	0.5
221.06674	1.2
231.06555	0.4
235.06078	3.9
235.08156	0.6
243.03008	0.5
245.06583	0.4
247.08221	0.6
255.02757	0.4
259.06125	1.3
263.01355	0.3
265.06995	0.5
271.02454	0.8
276.50430	0.4
277.09680	0.4
280.26886	0.4
299.01944	0.8
314.04437	0.8
315.05142	0.9
367.12238	0.6
381.11935	1.1
392.80869	0.4
438.45578	0.4
441.14307	0.7
489.16342	0.5
615.24890	0.4
623.16168	3.1
636.30353	0.5
763.29779	1.5
793.30859	0.6
811.31714	3.5
813.26892	3.7
814.26862	0.9
941.31274	9.6
942.31995	1.6
959.32520	32.4
960.33105	4.5
985.29559	0.5
1135.37183	100.0
1136.37463	22.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1135.3716
Annotation	Unknow
Peak:m/z	Relative Intensity
78.40171	0.4
81.03331	0.7
82.97658	0.5
83.01265	2.5
85.02835	4.7
87.00747	4.8
89.02315	3.7
89.03853	1.7
95.01263	1.4
97.02805	3.8
99.00751	1.3
101.02326	13.4
104.02557	1.0
106.38029	0.5
109.02824	0.7
111.04372	0.5
113.02337	5.7
115.03896	0.8
117.03365	2.5
118.90343	0.5
119.03393	1.6
119.16710	0.5
121.02863	1.0
125.02335	3.5
126.47724	0.5
126.68063	0.6
127.03949	0.8
131.03394	1.5
132.02074	31.9
133.02475	1.0
134.03632	41.9
135.03987	0.9
137.02322	1.8
143.03409	4.9
147.04431	1.6
148.05247	0.5
149.04747	0.8
149.05972	5.9
150.03050	0.6
151.06027	2.8
160.01572	89.3
161.02075	4.0
161.04407	4.2
163.06027	0.7
163.20451	0.5
165.01865	0.5
175.03925	73.3
176.04472	4.3
178.02620	6.4
179.03363	0.9
179.05588	0.9
189.55338	0.6
191.07077	2.9
193.04990	34.7
194.05394	1.2
194.83356	0.5
203.49123	0.5
207.06519	1.2
215.07036	0.7
217.04965	1.4
221.06627	1.8
235.06099	4.8
245.06616	0.8
247.08154	0.5
259.06052	2.5
263.07791	0.9
367.12296	0.6
381.11835	1.5
485.56302	0.7
489.16174	0.6
543.17767	0.6
651.22064	0.7
765.27783	0.7
813.26904	4.8
814.26819	0.8
941.31519	11.7
942.31940	1.6
959.12518	1.2
959.32471	35.5
960.32593	5.3
1135.37170	100.0
1136.37439	22.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	115.0026
Annotation	Unknow
Peak:m/z	Relative Intensity
51.71811	2.1
52.84788	2.6
59.01245	4.2
66.53934	2.3
71.01253	100.0
71.29057	2.7
72.01577	4.3
72.16008	2.3
87.00774	2.7
115.00261	10.6
115.03868	4.2
116.07052	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	1165.3836
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01247	3.1
85.02829	3.8
86.59345	0.7
87.00751	4.5
89.02332	4.2
91.01736	3.6
93.03339	1.2
95.01249	1.1
97.02850	3.8
99.00750	1.7
101.02322	14.5
108.27361	0.7
111.00772	0.9
113.02345	5.8
115.03888	1.4
117.03319	1.6
119.01286	9.4
119.03381	1.7
121.02834	3.1
125.02312	3.6
127.03889	0.7
131.03403	1.9
132.02072	16.4
134.03632	27.4
135.04343	1.1
137.02388	1.5
139.03918	0.7
143.03439	4.9
147.00743	4.4
147.04396	1.6
149.02347	11.0
149.05981	2.8
151.05983	3.7
160.01570	43.3
161.02277	1.7
161.04420	3.7
163.03816	1.0
163.06047	1.4
164.04700	7.8
165.01859	2.5
169.04967	0.7
175.00299	26.0
175.03915	36.3
176.00713	1.2
176.04500	2.4
178.02632	4.4
179.05525	1.9
179.07019	1.6
190.02643	55.0
191.03227	2.6
191.07025	2.0
193.03317	1.5
193.04985	21.1
196.85855	0.9
205.05019	35.1
205.06891	1.3
206.05469	2.0
208.03694	2.3
210.94243	0.7
221.06506	1.4
223.06039	7.8
231.06482	0.8
235.06108	3.9
235.08138	1.0
236.88583	0.7
247.08160	0.9
259.06104	0.8
265.07111	1.4
295.08066	1.1
411.12698	1.1
471.15317	1.0
782.39014	0.8
813.27063	4.3
927.46710	0.8
941.31586	7.0
942.31964	1.7
959.32562	30.3
960.32886	4.7
971.32770	3.5
989.34094	7.8
990.34985	1.1
1165.38196	100.0
1166.38538	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	119.0494
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00037	0.5
50.00235	4.0
55.91441	0.4
59.01256	2.2
64.01800	2.1
65.01324	11.5
65.99729	10.3
68.01295	3.6
68.44470	0.4
71.01257	1.5
72.99182	1.1
73.02831	0.9
75.03236	0.5
77.01326	3.5
78.03366	0.6
79.02874	2.2
90.00886	0.8
91.02905	8.8
91.05423	1.1
92.01299	7.8
92.02416	2.7
92.03242	1.0
93.00832	5.4
93.03333	4.5
93.04517	0.6
101.92307	1.6
104.02455	0.8
105.03223	1.1
117.03426	0.6
118.04010	2.3
118.92522	3.2
118.93327	0.7
119.02419	22.7
119.03468	3.8
119.04918	100.0
120.00903	0.9
120.01945	11.9
120.05581	56.4
END